| 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 | 46.1 | Very low | 69.2 | Low | 159 Ų | 159 | 51.9 Ų | 51.9 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | 0 | -40.5 | 0 | -74 | -176.9 | 176.9 | 0 | 0 | 111.2 | H3 N4 Y35 E38 | M1-H3 PolarHBondContact O-N 3.02Å; M1-N4 WeakPolarHBondContact O-CB 3.25Å; M1-N4 PolarHBondContact O-N 2.92Å; M1-Y35 HydrophobicContact CB-CD1 4.01Å; M1-Y35 HydrophobicContact CB-CE1 3.98Å; M1-E38 WeakPolarHBondContact CA-OE1 3.24Å; M1-E38 WeakPolarHBondContact CB-OE1 3.35Å; M1-E38 PolarHBondContact N-OE1 3.06Å | |||
| 2 | A | 53 | Low | 70.5 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -62.6 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | N4 D5 M9 Y35 E38 I41 | A2-N4 PolarHBondContact O-N 3.29Å; A2-N4 VanDerWaalsContact O-N 3.08Å; A2-D5 PolarHBondContact O-N 3.3Å; A2-D5 VanDerWaalsContact O-N 3.08Å; A2-M9 WeakPolarHBondContact O-CG 3.01Å; A2-Y35 HydrophobicContact CB-CD2 3.71Å; A2-Y35 HydrophobicContact CB-CE2 4.26Å; A2-Y35 HydrophobicContact CB-CG 3.91Å; A2-E38 WeakPolarHBondContact CB-OE2 3.16Å; A2-E38 PolarHBondContact N-OE1 3.26Å; A2-E38 PolarHBondContact N-OE2 3.43Å; A2-E38 VanDerWaalsContact N-OE2 3.13Å; A2-I41 HydrophobicContact CB-CD1 3.64Å; A2-I41 HydrophobicContact CB-CG1 3.97Å |
| 3 | H | 54.9 | Low | 71.8 | Confident | 75 Ų | 75 | 45.4 Ų | 45.4 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -56.8 | -20.8 | 171.6 | -165.3 | -57.6 | 0 | 0 | 0 | 113.7 | M1 E145 | M1-H3 PolarHBondContact O-N 3.02Å; H3-E145 IonicContact CE1-OE1 3.67Å; H3-E145 PolarHBondContact CE1-OE1 3.25Å; H3-E145 VanDerWaalsContact CE1-OE1 3.23Å; H3-E145 IonicContact NE2-OE1 2.75Å |
| 4 | N | 58.1 | Low | 72.9 | Confident | 139 Ų | 139 | 42.4 Ų | 42.4 | 74% | 0.743 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -88.4 | -12.2 | 179.6 | -67.4 | -0.7 | 0 | 0 | 0 | 113.2 | M1 A2 G6 | M1-N4 WeakPolarHBondContact O-CB 3.25Å; M1-N4 PolarHBondContact O-N 2.92Å; A2-N4 PolarHBondContact O-N 3.29Å; A2-N4 VanDerWaalsContact O-N 3.08Å; N4-G6 VanDerWaalsContact C-N 3.29Å; N4-G6 PolarHBondContact O-N 2.83Å |
| 5 | D | 70.1 | Confident | 73.8 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | trans | -83 | 78 | 176.7 | -160.3 | -19.9 | 0 | 0 | 0 | 109.3 | A2 E7 L8 M9 Y35 | A2-D5 PolarHBondContact O-N 3.3Å; A2-D5 VanDerWaalsContact O-N 3.08Å; D5-E7 VanDerWaalsContact C-N 3.27Å; D5-E7 PolarHBondContact O-N 2.96Å; D5-L8 HydrophobicContact CB-CB 4.28Å; D5-L8 PolarHBondContact O-N 3.09Å; D5-M9 WeakPolarHBondContact O-CG 3.48Å; D5-M9 PolarHBondContact O-N 3.46Å; D5-Y35 HydrophobicContact CB-CE2 4.43Å | ||
| 6 | G | 73 | Confident | 74.5 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -33.6 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | N4 A10 | N4-G6 VanDerWaalsContact C-N 3.29Å; N4-G6 PolarHBondContact O-N 2.83Å; G6-A10 WeakPolarHBondContact O-CB 3.43Å; G6-A10 PolarHBondContact O-N 3.03Å |
| 7 | E | 77.8 | Confident | 75.1 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.3 | -46.1 | 179.8 | -169.5 | 175.8 | -176.1 | 0 | 0 | 111.8 | D5 S11 I183 C215 Y216 | D5-E7 VanDerWaalsContact C-N 3.27Å; D5-E7 PolarHBondContact O-N 2.96Å; E7-S11 WeakPolarHBondContact O-CB 3.37Å; E7-S11 PolarHBondContact O-N 3.34Å; E7-S11 PolarHBondContact O-OG 3.35Å; E7-I183 VanDerWaalsContact CA-CD1 3.5Å; E7-I183 HydrophobicContact CB-CD1 3.87Å; E7-I183 HydrophobicContact CG-CD1 4.23Å; E7-C215 VanDerWaalsContact OE1-C 3.31Å; E7-Y216 HydrophobicContact CG-CD2 3.87Å; E7-Y216 HydrophobicContact CG-CG 4.5Å; E7-Y216 PolarHBondContact OE1-N 2.93Å |
| 8 | L | 79.3 | Confident | 75.4 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 177.7 | -175.5 | 139.8 | 0 | 0 | 0 | 111.5 | D5 S11 V12 A31 | D5-L8 HydrophobicContact CB-CB 4.28Å; D5-L8 PolarHBondContact O-N 3.09Å; L8-S11 PolarHBondContact O-N 3.09Å; L8-V12 HydrophobicContact CD2-CG2 4.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 2.81Å; L8-A31 HydrophobicContact CD1-CB 3.79Å; L8-A31 HydrophobicContact CD2-CB 3.51Å; L8-A31 HydrophobicContact CG-CB 4.3Å |
| 9 | M | 81 | Confident | 75.6 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | -179.2 | -65.9 | -53.2 | -49.7 | 0 | 0 | 112.1 | A2 D5 S11 V12 F13 F40 L44 | A2-M9 WeakPolarHBondContact O-CG 3.01Å; D5-M9 WeakPolarHBondContact O-CG 3.48Å; D5-M9 PolarHBondContact O-N 3.46Å; M9-S11 VanDerWaalsContact C-N 3.29Å; M9-S11 PolarHBondContact O-N 3.26Å; M9-V12 PolarHBondContact O-N 3.32Å; M9-F13 HydrophobicContact CE-CE2 4.48Å; M9-F13 HydrophobicContact CE-CZ 4.14Å; M9-F13 VanDerWaalsContact O-CD2 3.25Å; M9-F13 WeakPolarHBondContact O-CD2 3.23Å; M9-F13 WeakPolarHBondContact O-CG 3.47Å; M9-F13 PolarHBondContact O-N 3.44Å; M9-F40 HydrophobicContact CE-CD1 4.1Å; M9-F40 HydrophobicContact CE-CE1 3.29Å; M9-F40 HydrophobicContact CE-CZ 3.98Å; M9-F40 HydrophobicContact SD-CE1 4.4Å; M9-L44 HydrophobicContact CE-CD1 3.3Å |
| 10 | A | 83.6 | Confident | 76 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G6 Y14 I183 E184 Y216 | G6-A10 WeakPolarHBondContact O-CB 3.43Å; G6-A10 PolarHBondContact O-N 3.03Å; A10-Y14 VanDerWaalsContact O-CB 3.28Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 3.2Å; A10-I183 HydrophobicContact CB-CB 3.93Å; A10-I183 HydrophobicContact CB-CG2 3.5Å; A10-E184 WeakPolarHBondContact CA-OE1 3.24Å; A10-E184 HydrophobicContact CB-CG 4.09Å; A10-Y216 HydrophobicContact CB-CE2 3.96Å; A10-Y216 PolarHBondContact O-OH 3.26Å |
| 11 | S | 84.2 | Confident | 76.1 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | E7 L8 M9 Y14 Y15 Y216 | E7-S11 WeakPolarHBondContact O-CB 3.37Å; E7-S11 PolarHBondContact O-N 3.34Å; E7-S11 PolarHBondContact O-OG 3.35Å; L8-S11 PolarHBondContact O-N 3.09Å; M9-S11 VanDerWaalsContact C-N 3.29Å; M9-S11 PolarHBondContact O-N 3.26Å; S11-Y14 PolarHBondContact O-N 3Å; S11-Y15 WeakPolarHBondContact O-CD2 3.45Å; S11-Y15 PolarHBondContact O-N 3.26Å; S11-Y216 WeakPolarHBondContact OG-CE2 3.42Å |
| 12 | V | 84.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L8 M9 Y15 M16 A24 A27 L28 L44 | L8-V12 HydrophobicContact CD2-CG2 4.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 2.81Å; M9-V12 PolarHBondContact O-N 3.32Å; V12-Y15 PolarHBondContact O-N 2.79Å; V12-M16 HydrophobicContact CG1-CE 3.68Å; V12-M16 WeakPolarHBondContact O-CB 3.42Å; V12-M16 WeakPolarHBondContact O-CG 3.45Å; V12-M16 PolarHBondContact O-N 3.49Å; V12-A24 HydrophobicContact CG1-CB 4.42Å; V12-A27 HydrophobicContact CG2-CB 3.87Å; V12-L28 HydrophobicContact CB-CD2 4.44Å; V12-L28 HydrophobicContact CB-CG 4.49Å; V12-L28 HydrophobicContact CG1-CD1 4.05Å; V12-L28 HydrophobicContact CG1-CD2 3.99Å; V12-L28 HydrophobicContact CG1-CG 3.86Å; V12-L28 HydrophobicContact CG2-CD2 3.78Å; V12-L28 HydrophobicContact CG2-CG 3.77Å; V12-L44 HydrophobicContact CG1-CD1 4.31Å |
| 13 | F | 87.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.8 | -67.6 | -37.6 | 0 | 0 | 0 | 112.8 | M9 M16 R17 F40 L44 L118 F122 E184 | M9-F13 HydrophobicContact CE-CE2 4.48Å; M9-F13 HydrophobicContact CE-CZ 4.14Å; M9-F13 VanDerWaalsContact O-CD2 3.25Å; M9-F13 WeakPolarHBondContact O-CD2 3.23Å; M9-F13 WeakPolarHBondContact O-CG 3.47Å; M9-F13 PolarHBondContact O-N 3.44Å; F13-M16 HydrophobicContact CD1-CE 3.55Å; F13-M16 HydrophobicContact CE1-CE 4.05Å; F13-M16 PolarHBondContact O-N 2.96Å; F13-R17 WeakPolarHBondContact O-CB 3.49Å; F13-R17 VanDerWaalsContact O-CG 3.29Å; F13-R17 WeakPolarHBondContact O-CG 3.46Å; F13-R17 PolarHBondContact O-N 3.5Å; F13-R17 PolarHBondContact O-NE 3.31Å; F13-F40 HydrophobicContact CZ-CZ 4.03Å; F13-L44 HydrophobicContact CE1-CD1 4.24Å; F13-L44 HydrophobicContact CE1-CD2 4.04Å; F13-L118 HydrophobicContact CE1-CD1 3.91Å; F13-L118 HydrophobicContact CE1-CD2 4.49Å; F13-L118 HydrophobicContact CZ-CD1 4.08Å; F13-F122 HydrophobicContact CD1-CE2 4.1Å; F13-F122 AromaticContact CD1-CZ 3.82Å; F13-F122 HydrophobicContact CD1-CZ 3.82Å; F13-F122 HydrophobicContact CE1-CE2 4.33Å; F13-F122 HydrophobicContact CE1-CZ 4.48Å; F13-E184 HydrophobicContact CD2-CG 4.29Å |
| 14 | Y | 87.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -52.9 | 174.5 | 176.9 | -94 | 0 | 0 | 0 | 111.7 | A10 S11 M16 R17 E18 M187 P218 I221 E222 | A10-Y14 VanDerWaalsContact O-CB 3.28Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 3.2Å; S11-Y14 PolarHBondContact O-N 3Å; Y14-M16 VanDerWaalsContact C-N 3.29Å; Y14-M16 PolarHBondContact O-N 3.23Å; Y14-R17 PolarHBondContact O-N 2.89Å; Y14-R17 VanDerWaalsContact O-N 3.09Å; Y14-E18 HydrophobicContact CD1-CG 4.34Å; Y14-E18 HydrophobicContact CD2-CG 4.31Å; Y14-E18 HydrophobicContact CE1-CG 3.95Å; Y14-E18 HydrophobicContact CE2-CG 3.92Å; Y14-E18 WeakPolarHBondContact O-CG 3.27Å; Y14-E18 PolarHBondContact O-N 3.09Å; Y14-M187 HydrophobicContact CD2-CE 3.7Å; Y14-M187 HydrophobicContact CE2-CE 3.93Å; Y14-P218 HydrophobicContact CD1-CB 3.55Å; Y14-P218 HydrophobicContact CD1-CG 3.62Å; Y14-P218 HydrophobicContact CD2-CB 3.79Å; Y14-P218 HydrophobicContact CE1-CB 3.8Å; Y14-P218 HydrophobicContact CE1-CG 4.14Å; Y14-P218 HydrophobicContact CE2-CB 4.02Å; Y14-P218 HydrophobicContact CG-CB 3.54Å; Y14-P218 HydrophobicContact CG-CG 3.89Å; Y14-I221 HydrophobicContact CE1-CD1 4.14Å; Y14-I221 VanDerWaalsContact OH-CG2 3.25Å; Y14-I221 WeakPolarHBondContact OH-CG2 3.23Å; Y14-E222 HydrophobicContact CE2-CG 4.21Å |
| 15 | Y | 86.4 | Confident | 81.7 | Confident | 26 Ų | 26 | 24.3 Ų | 24.3 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -35 | 179.6 | -68.2 | -48.6 | 0 | 0 | 0 | 112.7 | S11 V12 G19 Y20 H23 | S11-Y15 WeakPolarHBondContact O-CD2 3.45Å; S11-Y15 PolarHBondContact O-N 3.26Å; V12-Y15 PolarHBondContact O-N 2.79Å; Y15-G19 PolarHBondContact O-N 3.23Å; Y15-Y20 HydrophobicContact CD1-CD2 4.33Å; Y15-Y20 HydrophobicContact CD1-CG 4.5Å; Y15-Y20 PolarHBondContact O-N 3.36Å; Y15-H23 HydrophobicContact CD1-CB 4.32Å; Y15-H23 HydrophobicContact CD2-CB 4.24Å; Y15-H23 HydrophobicContact CG-CB 4.14Å |
| 16 | M | 84.1 | Confident | 82.2 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 172.1 | -78.1 | -165.3 | -70.6 | 0 | 0 | 113.2 | V12 F13 Y14 G19 A24 L44 I47 L48 F122 | V12-M16 HydrophobicContact CG1-CE 3.68Å; V12-M16 WeakPolarHBondContact O-CB 3.42Å; V12-M16 WeakPolarHBondContact O-CG 3.45Å; V12-M16 PolarHBondContact O-N 3.49Å; F13-M16 HydrophobicContact CD1-CE 3.55Å; F13-M16 HydrophobicContact CE1-CE 4.05Å; F13-M16 PolarHBondContact O-N 2.96Å; Y14-M16 VanDerWaalsContact C-N 3.29Å; Y14-M16 PolarHBondContact O-N 3.23Å; M16-G19 PolarHBondContact O-N 3.06Å; M16-A24 HydrophobicContact CG-CB 4.2Å; M16-L44 HydrophobicContact CE-CD2 3.84Å; M16-I47 HydrophobicContact SD-CG2 4.35Å; M16-L48 HydrophobicContact CG-CD2 3.35Å; M16-L48 HydrophobicContact CG-CG 4.08Å; M16-L48 HydrophobicContact SD-CD1 4.35Å; M16-L48 HydrophobicContact SD-CD2 3.73Å; M16-L48 HydrophobicContact SD-CG 3.78Å; M16-F122 HydrophobicContact CB-CD1 3.81Å; M16-F122 HydrophobicContact CB-CE1 3.38Å; M16-F122 HydrophobicContact CB-CZ 3.95Å; M16-F122 HydrophobicContact CE-CD2 4.37Å; M16-F122 HydrophobicContact CE-CE1 4.26Å; M16-F122 HydrophobicContact CE-CE2 3.7Å; M16-F122 HydrophobicContact CE-CZ 3.65Å; M16-F122 HydrophobicContact CG-CE1 4.42Å; M16-F122 HydrophobicContact SD-CD1 4.48Å; M16-F122 HydrophobicContact SD-CD2 4.36Å; M16-F122 HydrophobicContact SD-CE1 4.37Å; M16-F122 HydrophobicContact SD-CE2 4.24Å; M16-F122 HydrophobicContact SD-CG 4.49Å; M16-F122 HydrophobicContact SD-CZ 4.26Å |
| 17 | R | 85.7 | Confident | 82.5 | Confident | 51 Ų | 51 | 25 Ų | 25 | 19% | 0.192 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 177.7 | -75 | -178.7 | -65.6 | -113.7 | -0.4 | 112 | F13 Y14 G19 F121 F122 E184 | F13-R17 WeakPolarHBondContact O-CB 3.49Å; F13-R17 VanDerWaalsContact O-CG 3.29Å; F13-R17 WeakPolarHBondContact O-CG 3.46Å; F13-R17 PolarHBondContact O-N 3.5Å; F13-R17 PolarHBondContact O-NE 3.31Å; Y14-R17 PolarHBondContact O-N 2.89Å; Y14-R17 VanDerWaalsContact O-N 3.09Å; R17-G19 VanDerWaalsContact C-N 3.35Å; R17-F121 HydrophobicContact CG-CE1 4.02Å; R17-F121 HydrophobicContact CG-CZ 4.39Å; R17-F122 HydrophobicContact CG-CE1 4.08Å; R17-E184 IonicContact CZ-OE1 3.6Å; R17-E184 IonicContact CZ-OE2 2.94Å; R17-E184 IonicContact NH1-OE1 3.8Å; R17-E184 PolarHBondContact NH1-OE1 3.21Å; R17-E184 IonicContact NH1-OE2 3.16Å; R17-E184 PolarHBondContact NH1-OE2 3.22Å; R17-E184 IonicContact NH2-OE1 3.77Å; R17-E184 PolarHBondContact NH2-OE1 3.06Å; R17-E184 IonicContact NH2-OE2 3.65Å; R17-E184 PolarHBondContact NH2-OE2 3.36Å |
| 18 | E | 79.8 | Confident | 82.6 | Confident | 55 Ų | 55 | 21.9 Ų | 21.9 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -83.7 | -6.9 | -177.9 | -65 | -69.6 | 130.7 | 0 | 0 | 113.7 | Y14 Y20 R225 | Y14-E18 HydrophobicContact CD1-CG 4.34Å; Y14-E18 HydrophobicContact CD2-CG 4.31Å; Y14-E18 HydrophobicContact CE1-CG 3.95Å; Y14-E18 HydrophobicContact CE2-CG 3.92Å; Y14-E18 WeakPolarHBondContact O-CG 3.27Å; Y14-E18 PolarHBondContact O-N 3.09Å; E18-Y20 HydrophobicContact CB-CD2 3.76Å; E18-Y20 HydrophobicContact CB-CE2 3.98Å; E18-R225 VanDerWaalsContact CD-NH1 3.35Å; E18-R225 IonicContact OE1-NH1 3.44Å; E18-R225 PolarHBondContact OE1-NH1 2.96Å; E18-R225 IonicContact OE2-CZ 3.48Å; E18-R225 VanDerWaalsContact OE2-CZ 3.28Å; E18-R225 IonicContact OE2-NH1 3.7Å; E18-R225 PolarHBondContact OE2-NH1 3.35Å; E18-R225 IonicContact OE2-NH2 3.14Å; E18-R225 PolarHBondContact OE2-NH2 2.84Å |
| 19 | G | 79.2 | Confident | 82.6 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y15 M16 R17 P21 Q292 | Y15-G19 PolarHBondContact O-N 3.23Å; M16-G19 PolarHBondContact O-N 3.06Å; R17-G19 VanDerWaalsContact C-N 3.35Å; G19-P21 VanDerWaalsContact C-CD 3.42Å; G19-P21 VanDerWaalsContact O-CD 3.26Å; G19-P21 WeakPolarHBondContact O-CD 3.49Å; G19-Q292 PolarHBondContact O-NE2 2.81Å |
| 20 | Y | 83.9 | Confident | 82.3 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | trans | -112.6 | 71.6 | 173.2 | -67.2 | -72.6 | 0 | 0 | 0 | 110.8 | Y15 E18 H22 A24 I251 E252 K255 E286 Q292 | Y15-Y20 HydrophobicContact CD1-CD2 4.33Å; Y15-Y20 HydrophobicContact CD1-CG 4.5Å; Y15-Y20 PolarHBondContact O-N 3.36Å; E18-Y20 HydrophobicContact CB-CD2 3.76Å; E18-Y20 HydrophobicContact CB-CE2 3.98Å; Y20-H22 PolarHBondContact O-N 3.4Å; Y20-A24 WeakPolarHBondContact O-CB 3.4Å; Y20-A24 PolarHBondContact O-N 3.44Å; Y20-A24 VanDerWaalsContact O-N 3.17Å; Y20-I251 HydrophobicContact CD1-CD1 3.96Å; Y20-I251 HydrophobicContact CE1-CB 4.24Å; Y20-I251 HydrophobicContact CE1-CD1 3.6Å; Y20-I251 HydrophobicContact CE1-CG2 4.15Å; Y20-E252 HydrophobicContact CE2-CG 4.23Å; Y20-E252 PolarHBondContact OH-OE1 2.91Å; Y20-K255 PolarHBondContact OH-NZ 3.13Å; Y20-E286 VanDerWaalsContact C-OE1 3.24Å; Y20-E286 WeakPolarHBondContact CA-OE1 3.4Å; Y20-E286 HydrophobicContact CD1-CG 4Å; Y20-Q292 HydrophobicContact CD1-CG 4.18Å; Y20-Q292 HydrophobicContact CE1-CG 3.83Å; Y20-Q292 PolarHBondContact OH-OE1 3Å | ||
| 21 | P | 78.7 | Confident | 81.8 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -33.3 | -171 | 29.2 | -35.5 | 0 | 0 | 0 | 112.4 | G19 A24 L25 L48 A51 E52 | G19-P21 VanDerWaalsContact C-CD 3.42Å; G19-P21 VanDerWaalsContact O-CD 3.26Å; G19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-A24 PolarHBondContact O-N 2.98Å; P21-L25 VanDerWaalsContact O-CG 3.31Å; P21-L25 WeakPolarHBondContact O-CG 3.28Å; P21-L25 PolarHBondContact O-N 3.31Å; P21-L48 HydrophobicContact CB-CD2 4.08Å; P21-A51 HydrophobicContact CB-CB 3.87Å; P21-E52 HydrophobicContact CB-CG 4.21Å; P21-E52 HydrophobicContact CG-CG 4.17Å |
| 22 | H | 81.4 | Confident | 81.1 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.6 | -41.4 | -179 | -164.5 | 80.1 | 0 | 0 | 0 | 111.9 | Y20 A24 L25 V26 E52 S285 E286 | Y20-H22 PolarHBondContact O-N 3.4Å; H22-A24 VanDerWaalsContact C-N 3.26Å; H22-A24 PolarHBondContact O-N 3.21Å; H22-L25 CarbonylContact O-C 3.54Å; H22-L25 WeakPolarHBondContact O-CA 3.49Å; H22-L25 WeakPolarHBondContact O-CB 3.33Å; H22-L25 PolarHBondContact O-N 3.11Å; H22-V26 WeakPolarHBondContact O-CG2 3.46Å; H22-V26 PolarHBondContact O-N 3.45Å; H22-E52 IonicContact CE1-OE1 2.86Å; H22-E52 IonicContact CG-OE1 3.07Å; H22-E52 IonicContact ND1-OE1 2.89Å; H22-E52 PolarHBondContact ND1-OE1 3.1Å; H22-S285 WeakPolarHBondContact CB-O 3.29Å; H22-S285 PolarHBondContact CD2-O 3.29Å; H22-E286 VanDerWaalsContact CB-CD 3.47Å; H22-E286 WeakPolarHBondContact CB-OE2 3.43Å; H22-E286 PolarHBondContact N-OE1 3.15Å; H22-E286 VanDerWaalsContact N-OE1 3.15Å; H22-E286 PolarHBondContact N-OE2 3.22Å; H22-E286 VanDerWaalsContact N-OE2 3.12Å |
| 23 | H | 82.3 | Confident | 80.6 | Confident | 19 Ų | 19 | 39 Ų | 39 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 170.6 | -84.5 | 82.6 | 0 | 0 | 0 | 111.7 | Y15 L25 V26 A27 S285 E286 | Y15-H23 HydrophobicContact CD1-CB 4.32Å; Y15-H23 HydrophobicContact CD2-CB 4.24Å; Y15-H23 HydrophobicContact CG-CB 4.14Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.15Å; H23-V26 PolarHBondContact O-N 3.12Å; H23-A27 WeakPolarHBondContact O-CB 3.14Å; H23-A27 PolarHBondContact O-N 3.07Å; H23-S285 WeakPolarHBondContact CE1-CB 3.29Å; H23-S285 PolarHBondContact CE1-OG 2.96Å; H23-S285 PolarHBondContact ND1-O 3.41Å; H23-E286 IonicContact CG-OE1 2.62Å; H23-E286 PolarHBondContact N-OE1 2.97Å; H23-E286 IonicContact ND1-OE1 2.58Å; H23-E286 PolarHBondContact ND1-OE1 2.85Å |
| 24 | A | 82.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 M16 Y20 P21 H22 A27 L28 L48 | V12-A24 HydrophobicContact CG1-CB 4.42Å; M16-A24 HydrophobicContact CG-CB 4.2Å; Y20-A24 WeakPolarHBondContact O-CB 3.4Å; Y20-A24 PolarHBondContact O-N 3.44Å; Y20-A24 VanDerWaalsContact O-N 3.17Å; P21-A24 PolarHBondContact O-N 2.98Å; H22-A24 VanDerWaalsContact C-N 3.26Å; H22-A24 PolarHBondContact O-N 3.21Å; A24-A27 PolarHBondContact O-N 2.82Å; A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 3.38Å; A24-L48 HydrophobicContact CB-CD1 3.75Å; A24-L48 HydrophobicContact CB-CD2 3.46Å; A24-L48 VanDerWaalsContact CB-CD2 3.46Å; A24-L48 HydrophobicContact CB-CG 4.26Å |
| 25 | L | 82.2 | Confident | 79.2 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 173 | -75.3 | 168.9 | 0 | 0 | 0 | 112.1 | P21 H22 H23 L28 N29 T45 L48 E52 | P21-L25 VanDerWaalsContact O-CG 3.31Å; P21-L25 WeakPolarHBondContact O-CG 3.28Å; P21-L25 PolarHBondContact O-N 3.31Å; H22-L25 CarbonylContact O-C 3.54Å; H22-L25 WeakPolarHBondContact O-CA 3.49Å; H22-L25 WeakPolarHBondContact O-CB 3.33Å; H22-L25 PolarHBondContact O-N 3.11Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.15Å; L25-L28 CarbonylContact O-C 3.56Å; L25-L28 PolarHBondContact O-N 3.31Å; L25-N29 VanDerWaalsContact O-CB 3.31Å; L25-N29 WeakPolarHBondContact O-CB 3.21Å; L25-N29 PolarHBondContact O-N 3.42Å; L25-N29 PolarHBondContact O-ND2 3.47Å; L25-T45 HydrophobicContact CD2-CG2 3.93Å; L25-L48 HydrophobicContact CD1-CB 4.33Å; L25-L48 HydrophobicContact CD2-CB 3.58Å; L25-L48 HydrophobicContact CD2-CD1 3.87Å; L25-L48 HydrophobicContact CD2-CG 4.39Å; L25-L48 HydrophobicContact CG-CB 3.76Å; L25-L48 HydrophobicContact CG-CD1 4.02Å; L25-L48 HydrophobicContact CG-CG 4.43Å; L25-E52 VanDerWaalsContact CD1-CD 3.47Å; L25-E52 HydrophobicContact CD1-CG 4.09Å |
| 26 | V | 81 | Confident | 78 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | H22 H23 L28 N29 V30 | H22-V26 WeakPolarHBondContact O-CG2 3.46Å; H22-V26 PolarHBondContact O-N 3.45Å; H23-V26 PolarHBondContact O-N 3.12Å; V26-L28 VanDerWaalsContact C-N 3.34Å; V26-L28 PolarHBondContact O-N 2.99Å; V26-N29 PolarHBondContact O-N 3.39Å; V26-N29 VanDerWaalsContact O-N 3.17Å; V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 2.96Å; V26-V30 VanDerWaalsContact O-N 3.08Å |
| 27 | A | 79.7 | Confident | 77.2 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V12 H23 A24 V30 A31 | V12-A27 HydrophobicContact CG2-CB 3.87Å; H23-A27 WeakPolarHBondContact O-CB 3.14Å; H23-A27 PolarHBondContact O-N 3.07Å; A24-A27 PolarHBondContact O-N 2.82Å; A27-V30 PolarHBondContact O-N 3.3Å; A27-A31 PolarHBondContact O-N 3.05Å; A27-A31 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 80.4 | Confident | 76.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -31.1 | 174.5 | -77.4 | -179.2 | 0 | 0 | 0 | 113.4 | V12 A24 L25 V26 V30 A31 H32 I41 L44 L48 | V12-L28 HydrophobicContact CB-CD2 4.44Å; V12-L28 HydrophobicContact CB-CG 4.49Å; V12-L28 HydrophobicContact CG1-CD1 4.05Å; V12-L28 HydrophobicContact CG1-CD2 3.99Å; V12-L28 HydrophobicContact CG1-CG 3.86Å; V12-L28 HydrophobicContact CG2-CD2 3.78Å; V12-L28 HydrophobicContact CG2-CG 3.77Å; A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 WeakPolarHBondContact O-CG 3.47Å; A24-L28 PolarHBondContact O-N 3.38Å; L25-L28 CarbonylContact O-C 3.56Å; L25-L28 PolarHBondContact O-N 3.31Å; V26-L28 VanDerWaalsContact C-N 3.34Å; V26-L28 PolarHBondContact O-N 2.99Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-A31 CarbonylContact O-C 3.43Å; L28-A31 WeakPolarHBondContact O-CA 3.45Å; L28-A31 VanDerWaalsContact O-CB 3.26Å; L28-A31 WeakPolarHBondContact O-CB 3.5Å; L28-A31 PolarHBondContact O-N 3.42Å; L28-A31 VanDerWaalsContact O-N 3.1Å; L28-H32 WeakPolarHBondContact O-CB 3.26Å; L28-H32 PolarHBondContact O-N 3.43Å; L28-I41 HydrophobicContact CD2-CG2 4.36Å; L28-L44 HydrophobicContact CD1-CB 3.68Å; L28-L44 HydrophobicContact CD2-CD1 4.3Å; L28-L48 HydrophobicContact CD1-CD1 3.28Å; L28-L48 HydrophobicContact CG-CD1 4.29Å |
| 29 | N | 78.2 | Confident | 76.9 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 176.1 | -78.2 | -27.4 | 0 | 0 | 0 | 111 | L25 V26 A31 H32 K33 | L25-N29 VanDerWaalsContact O-CB 3.31Å; L25-N29 WeakPolarHBondContact O-CB 3.21Å; L25-N29 PolarHBondContact O-N 3.42Å; L25-N29 PolarHBondContact O-ND2 3.47Å; V26-N29 PolarHBondContact O-N 3.39Å; V26-N29 VanDerWaalsContact O-N 3.17Å; N29-A31 VanDerWaalsContact C-N 3.3Å; N29-H32 PolarHBondContact O-N 2.79Å; N29-K33 WeakPolarHBondContact O-CG 3.33Å; N29-K33 PolarHBondContact O-N 2.84Å |
| 30 | V | 75.7 | Confident | 77.1 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 42% | 0.418 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | V26 A27 L28 H32 K33 K34 | V26-V30 WeakPolarHBondContact O-CG2 3.38Å; V26-V30 PolarHBondContact O-N 2.96Å; V26-V30 VanDerWaalsContact O-N 3.08Å; A27-V30 PolarHBondContact O-N 3.3Å; L28-V30 VanDerWaalsContact C-N 3.32Å; V30-H32 VanDerWaalsContact C-N 3.35Å; V30-K33 PolarHBondContact O-N 3.31Å; V30-K34 PolarHBondContact O-N 2.98Å |
| 31 | A | 72 | Confident | 77 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L8 A27 L28 N29 K33 K34 Y35 I41 | L8-A31 HydrophobicContact CD1-CB 3.79Å; L8-A31 HydrophobicContact CD2-CB 3.51Å; L8-A31 HydrophobicContact CG-CB 4.3Å; A27-A31 PolarHBondContact O-N 3.05Å; A27-A31 VanDerWaalsContact O-N 3.13Å; L28-A31 CarbonylContact O-C 3.43Å; L28-A31 WeakPolarHBondContact O-CA 3.45Å; L28-A31 VanDerWaalsContact O-CB 3.26Å; L28-A31 WeakPolarHBondContact O-CB 3.5Å; L28-A31 PolarHBondContact O-N 3.42Å; L28-A31 VanDerWaalsContact O-N 3.1Å; N29-A31 VanDerWaalsContact C-N 3.3Å; A31-K33 VanDerWaalsContact C-N 3.28Å; A31-K33 PolarHBondContact O-N 2.9Å; A31-K34 CarbonylContact O-C 3.58Å; A31-K34 PolarHBondContact O-N 3.03Å; A31-K34 VanDerWaalsContact O-N 3.08Å; A31-Y35 PolarHBondContact O-N 2.85Å; A31-I41 HydrophobicContact CB-CD1 4.06Å |
| 32 | H | 70.7 | Confident | 77.2 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 34% | 0.338 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 179.5 | -156.5 | 76 | 0 | 0 | 0 | 111.6 | L28 N29 V30 Y35 S36 | L28-H32 WeakPolarHBondContact O-CB 3.26Å; L28-H32 PolarHBondContact O-N 3.43Å; N29-H32 PolarHBondContact O-N 2.79Å; V30-H32 VanDerWaalsContact C-N 3.35Å; H32-Y35 CarbonylContact O-C 3.57Å; H32-S36 PolarHBondContact O-N 3.41Å |
| 33 | K | 74.3 | Confident | 77.4 | Confident | 187 Ų | 187 | 52.3 Ų | 52.3 | 81% | 0.813 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.3 | -35 | 171.2 | -70.8 | 178.1 | -177.8 | 178.6 | 0 | 112.4 | N29 V30 A31 | N29-K33 WeakPolarHBondContact O-CG 3.33Å; N29-K33 PolarHBondContact O-N 2.84Å; V30-K33 PolarHBondContact O-N 3.31Å; A31-K33 VanDerWaalsContact C-N 3.28Å; A31-K33 PolarHBondContact O-N 2.9Å |
| 34 | K | 72.2 | Confident | 77.6 | Confident | 132 Ų | 132 | 51.4 Ų | 51.4 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -80.9 | -38.5 | 178.1 | -70.2 | -176.8 | -179.6 | 179.4 | 0 | 113 | V30 A31 | V30-K34 PolarHBondContact O-N 2.98Å; A31-K34 CarbonylContact O-C 3.58Å; A31-K34 PolarHBondContact O-N 3.03Å; A31-K34 VanDerWaalsContact O-N 3.08Å |
| 35 | Y | 72.1 | Confident | 77.7 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -130.6 | 77.3 | -171.7 | -52.3 | -73 | 0 | 0 | 0 | 109.3 | M1 A2 D5 A31 H32 | M1-Y35 HydrophobicContact CB-CD1 4.01Å; M1-Y35 HydrophobicContact CB-CE1 3.98Å; A2-Y35 HydrophobicContact CB-CD2 3.71Å; A2-Y35 HydrophobicContact CB-CE2 4.26Å; A2-Y35 HydrophobicContact CB-CG 3.91Å; D5-Y35 HydrophobicContact CB-CE2 4.43Å; A31-Y35 PolarHBondContact O-N 2.85Å; H32-Y35 CarbonylContact O-C 3.57Å |
| 36 | S | 62.6 | Low | 77.8 | Confident | 93 Ų | 93 | 52.3 Ų | 52.3 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 140.5 | 178.8 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | H32 E38 | H32-S36 PolarHBondContact O-N 3.41Å; S36-E38 PolarHBondContact O-N 3.23Å |
| 37 | N | 67.4 | Low | 78 | Confident | 119 Ų | 119 | 49.2 Ų | 49.2 | 64% | 0.636 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 17.8 | 174.7 | -75.9 | -25.7 | 0 | 0 | 0 | 119 | ||
| 38 | E | 78 | Confident | 78.3 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | trans | -72.6 | 128 | 171.6 | -75.5 | -153.9 | 178.4 | 0 | 0 | 112.8 | M1 A2 S36 F40 I41 K42 | M1-E38 WeakPolarHBondContact CA-OE1 3.24Å; M1-E38 WeakPolarHBondContact CB-OE1 3.35Å; M1-E38 PolarHBondContact N-OE1 3.06Å; A2-E38 WeakPolarHBondContact CB-OE2 3.16Å; A2-E38 PolarHBondContact N-OE1 3.26Å; A2-E38 PolarHBondContact N-OE2 3.43Å; A2-E38 VanDerWaalsContact N-OE2 3.13Å; S36-E38 PolarHBondContact O-N 3.23Å; E38-F40 VanDerWaalsContact C-N 3.29Å; E38-F40 PolarHBondContact O-N 3.06Å; E38-I41 HydrophobicContact CB-CB 4.49Å; E38-I41 HydrophobicContact CB-CD1 4.21Å; E38-I41 HydrophobicContact CB-CG1 4.21Å; E38-I41 PolarHBondContact O-N 3.04Å; E38-K42 PolarHBondContact O-N 3.05Å | ||
| 39 | P | 80.5 | Confident | 78.5 | Confident | 28 Ų | 28 | 49 Ų | 49 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -28 | -177.3 | 28.4 | -36.3 | 0 | 0 | 0 | 113.3 | K42 L43 L65 F71 | P39-K42 WeakPolarHBondContact O-CB 3.28Å; P39-K42 PolarHBondContact O-N 3.4Å; P39-L43 PolarHBondContact O-N 3.1Å; P39-L65 HydrophobicContact CB-CD2 4.21Å; P39-F71 HydrophobicContact CB-CD2 4.08Å; P39-F71 HydrophobicContact CB-CE2 3.59Å; P39-F71 HydrophobicContact CB-CZ 4.02Å; P39-F71 HydrophobicContact CG-CD2 4.5Å; P39-F71 HydrophobicContact CG-CE2 3.6Å; P39-F71 HydrophobicContact CG-CZ 3.98Å |
| 40 | F | 82.6 | Confident | 78.7 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70 | -41.4 | 177.3 | -179.7 | -124.1 | 0 | 0 | 0 | 112 | M9 F13 E38 K42 L43 L44 F71 F115 | M9-F40 HydrophobicContact CE-CD1 4.1Å; M9-F40 HydrophobicContact CE-CE1 3.29Å; M9-F40 HydrophobicContact CE-CZ 3.98Å; M9-F40 HydrophobicContact SD-CE1 4.4Å; F13-F40 HydrophobicContact CZ-CZ 4.03Å; E38-F40 VanDerWaalsContact C-N 3.29Å; E38-F40 PolarHBondContact O-N 3.06Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 3.43Å; F40-L43 HydrophobicContact CD2-CD2 4.37Å; F40-L43 WeakPolarHBondContact O-CB 3.38Å; F40-L43 PolarHBondContact O-N 2.87Å; F40-L43 VanDerWaalsContact O-N 3.15Å; F40-L44 HydrophobicContact CD1-CD1 4.46Å; F40-L44 HydrophobicContact CE1-CD1 3.98Å; F40-L44 HydrophobicContact CE2-CD1 4.37Å; F40-L44 HydrophobicContact CE2-CD2 4.21Å; F40-L44 HydrophobicContact CE2-CG 4.2Å; F40-L44 HydrophobicContact CZ-CD1 3.91Å; F40-L44 HydrophobicContact CZ-CD2 4.32Å; F40-L44 HydrophobicContact CZ-CG 4.23Å; F40-L44 WeakPolarHBondContact O-CG 3.39Å; F40-L44 PolarHBondContact O-N 3.15Å; F40-F71 HydrophobicContact CB-CE1 4.37Å; F40-F71 HydrophobicContact CB-CZ 4.19Å; F40-F71 HydrophobicContact CD2-CE1 4.31Å; F40-F115 AromaticContact CD2-CD1 3.9Å; F40-F115 HydrophobicContact CD2-CD1 3.9Å; F40-F115 AromaticContact CD2-CE1 3.35Å; F40-F115 HydrophobicContact CD2-CE1 3.35Å; F40-F115 HydrophobicContact CD2-CZ 4.03Å; F40-F115 AromaticContact CE2-CD1 3.75Å; F40-F115 HydrophobicContact CE2-CD1 3.75Å; F40-F115 AromaticContact CE2-CE1 3.36Å; F40-F115 HydrophobicContact CE2-CE1 3.36Å; F40-F115 HydrophobicContact CE2-CZ 4.42Å; F40-F115 HydrophobicContact CG-CE1 4.3Å; F40-F115 HydrophobicContact CZ-CE1 4.29Å |
| 41 | I | 82.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 170.9 | -65.1 | 178.8 | 0 | 0 | 0 | 109.1 | A2 L28 A31 E38 L43 L44 T45 | A2-I41 HydrophobicContact CB-CD1 3.64Å; A2-I41 HydrophobicContact CB-CG1 3.97Å; L28-I41 HydrophobicContact CD2-CG2 4.36Å; A31-I41 HydrophobicContact CB-CD1 4.06Å; E38-I41 HydrophobicContact CB-CB 4.49Å; E38-I41 HydrophobicContact CB-CD1 4.21Å; E38-I41 HydrophobicContact CB-CG1 4.21Å; E38-I41 PolarHBondContact O-N 3.04Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.46Å; I41-L44 PolarHBondContact O-N 3.45Å; I41-L44 VanDerWaalsContact O-N 3.16Å; I41-T45 WeakPolarHBondContact O-CB 3.49Å; I41-T45 PolarHBondContact O-N 3.35Å; I41-T45 PolarHBondContact O-OG1 3.19Å |
| 42 | K | 84.1 | Confident | 79.1 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 175.4 | -75.2 | -168.9 | 170.4 | -161.6 | 0 | 112.9 | E38 P39 F40 T45 S46 E64 L65 | E38-K42 PolarHBondContact O-N 3.05Å; P39-K42 WeakPolarHBondContact O-CB 3.28Å; P39-K42 PolarHBondContact O-N 3.4Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 3.43Å; K42-T45 PolarHBondContact O-N 3.11Å; K42-S46 WeakPolarHBondContact O-CB 3.42Å; K42-S46 PolarHBondContact O-N 3.2Å; K42-S46 PolarHBondContact O-OG 3.07Å; K42-S46 VanDerWaalsContact O-OG 3.12Å; K42-E64 IonicContact NZ-OE2 2.76Å; K42-E64 PolarHBondContact NZ-OE2 2.88Å; K42-L65 HydrophobicContact CB-CD1 4.48Å; K42-L65 HydrophobicContact CB-CD2 4.24Å |
| 43 | L | 85.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 175 | -176.9 | 77.1 | 0 | 0 | 0 | 110.7 | P39 F40 I41 S46 I47 F62 L65 F71 A74 F115 V119 | P39-L43 PolarHBondContact O-N 3.1Å; F40-L43 HydrophobicContact CD2-CD2 4.37Å; F40-L43 WeakPolarHBondContact O-CB 3.38Å; F40-L43 PolarHBondContact O-N 2.87Å; F40-L43 VanDerWaalsContact O-N 3.15Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.46Å; L43-S46 VanDerWaalsContact C-OG 3.3Å; L43-S46 WeakPolarHBondContact CA-OG 3.23Å; L43-S46 PolarHBondContact O-N 3.44Å; L43-S46 PolarHBondContact O-OG 3.42Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 WeakPolarHBondContact O-CG1 3.18Å; L43-I47 PolarHBondContact O-N 2.8Å; L43-F62 HydrophobicContact CD1-CE1 4.09Å; L43-L65 HydrophobicContact CB-CD1 3.98Å; L43-L65 HydrophobicContact CD1-CD1 3.92Å; L43-F71 HydrophobicContact CB-CD1 4.23Å; L43-F71 HydrophobicContact CB-CE1 4.33Å; L43-F71 HydrophobicContact CD1-CD1 4.37Å; L43-F71 HydrophobicContact CD2-CD1 3.93Å; L43-F71 HydrophobicContact CD2-CE1 4.08Å; L43-F71 HydrophobicContact CG-CD1 4.39Å; L43-A74 HydrophobicContact CD1-CB 4.28Å; L43-F115 HydrophobicContact CD2-CB 4.04Å; L43-F115 HydrophobicContact CD2-CD1 4.13Å; L43-F115 HydrophobicContact CD2-CG 4.22Å; L43-V119 HydrophobicContact CD1-CG2 4.22Å; L43-V119 HydrophobicContact CD2-CG2 4.44Å |
| 44 | L | 84.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 178.6 | -63.2 | -177.5 | 0 | 0 | 0 | 112.3 | M9 V12 F13 M16 L28 F40 I41 S46 I47 L48 L118 | M9-L44 HydrophobicContact CE-CD1 3.3Å; V12-L44 HydrophobicContact CG1-CD1 4.31Å; F13-L44 HydrophobicContact CE1-CD1 4.24Å; F13-L44 HydrophobicContact CE1-CD2 4.04Å; M16-L44 HydrophobicContact CE-CD2 3.84Å; L28-L44 HydrophobicContact CD1-CB 3.68Å; L28-L44 HydrophobicContact CD2-CD1 4.3Å; F40-L44 HydrophobicContact CD1-CD1 4.46Å; F40-L44 HydrophobicContact CE1-CD1 3.98Å; F40-L44 HydrophobicContact CE2-CD1 4.37Å; F40-L44 HydrophobicContact CE2-CD2 4.21Å; F40-L44 HydrophobicContact CE2-CG 4.2Å; F40-L44 HydrophobicContact CZ-CD1 3.91Å; F40-L44 HydrophobicContact CZ-CD2 4.32Å; F40-L44 HydrophobicContact CZ-CG 4.23Å; F40-L44 WeakPolarHBondContact O-CG 3.39Å; F40-L44 PolarHBondContact O-N 3.15Å; I41-L44 PolarHBondContact O-N 3.45Å; I41-L44 VanDerWaalsContact O-N 3.16Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.37Å; L44-I47 HydrophobicContact CD2-CD1 4.18Å; L44-I47 PolarHBondContact O-N 2.83Å; L44-L48 WeakPolarHBondContact O-CB 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.26Å; L44-L48 PolarHBondContact O-N 3.03Å; L44-L118 HydrophobicContact CD2-CD2 3.77Å |
| 45 | T | 85.2 | Confident | 80 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 172.5 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | L25 I41 K42 L48 L49 | L25-T45 HydrophobicContact CD2-CG2 3.93Å; I41-T45 WeakPolarHBondContact O-CB 3.49Å; I41-T45 PolarHBondContact O-N 3.35Å; I41-T45 PolarHBondContact O-OG1 3.19Å; K42-T45 PolarHBondContact O-N 3.11Å; T45-L48 PolarHBondContact O-N 3.43Å; T45-L49 HydrophobicContact CG2-CD1 4.23Å; T45-L49 HydrophobicContact CG2-CG 4.48Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 3.09Å |
| 46 | S | 85.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 113 | K42 L43 L44 L48 L49 V50 F62 | K42-S46 WeakPolarHBondContact O-CB 3.42Å; K42-S46 PolarHBondContact O-N 3.2Å; K42-S46 PolarHBondContact O-OG 3.07Å; K42-S46 VanDerWaalsContact O-OG 3.12Å; L43-S46 VanDerWaalsContact C-OG 3.3Å; L43-S46 WeakPolarHBondContact CA-OG 3.23Å; L43-S46 PolarHBondContact O-N 3.44Å; L43-S46 PolarHBondContact O-OG 3.42Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.37Å; S46-L48 VanDerWaalsContact C-N 3.35Å; S46-L49 PolarHBondContact O-N 3.43Å; S46-V50 WeakPolarHBondContact O-CG2 3Å; S46-V50 PolarHBondContact O-N 3.24Å; S46-F62 WeakPolarHBondContact OG-CE1 3.43Å; S46-F62 WeakPolarHBondContact OG-CZ 3.03Å |
| 47 | I | 85.3 | Confident | 81.4 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 174.5 | -63.8 | 164.1 | 0 | 0 | 0 | 110.6 | M16 L43 L44 V50 A51 F62 L118 V119 F122 F123 | M16-I47 HydrophobicContact SD-CG2 4.35Å; L43-I47 HydrophobicContact CG-CD1 4.22Å; L43-I47 WeakPolarHBondContact O-CG1 3.18Å; L43-I47 PolarHBondContact O-N 2.8Å; L44-I47 HydrophobicContact CD2-CD1 4.18Å; L44-I47 PolarHBondContact O-N 2.83Å; I47-V50 WeakPolarHBondContact O-CB 3.43Å; I47-V50 PolarHBondContact O-N 3.35Å; I47-V50 VanDerWaalsContact O-N 3.17Å; I47-A51 PolarHBondContact O-N 3.48Å; I47-F62 HydrophobicContact CG1-CE1 4.48Å; I47-F62 HydrophobicContact CG1-CZ 4.16Å; I47-L118 HydrophobicContact CD1-CD2 4.16Å; I47-V119 HydrophobicContact CD1-CG2 3.83Å; I47-V119 HydrophobicContact CG1-CG2 4.24Å; I47-F122 HydrophobicContact CD1-CD2 4.49Å; I47-F122 HydrophobicContact CG2-CB 3.77Å; I47-F122 HydrophobicContact CG2-CD2 4.4Å; I47-F122 HydrophobicContact CG2-CG 4.29Å; I47-F123 HydrophobicContact CG2-CE1 4.37Å |
| 48 | L | 84.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 178.9 | -75.6 | 167.6 | 0 | 0 | 0 | 113.1 | M16 P21 A24 L25 L28 L44 T45 S46 V50 A51 E52 | M16-L48 HydrophobicContact CG-CD2 3.35Å; M16-L48 HydrophobicContact CG-CG 4.08Å; M16-L48 HydrophobicContact SD-CD1 4.35Å; M16-L48 HydrophobicContact SD-CD2 3.73Å; M16-L48 HydrophobicContact SD-CG 3.78Å; P21-L48 HydrophobicContact CB-CD2 4.08Å; A24-L48 HydrophobicContact CB-CD1 3.75Å; A24-L48 HydrophobicContact CB-CD2 3.46Å; A24-L48 VanDerWaalsContact CB-CD2 3.46Å; A24-L48 HydrophobicContact CB-CG 4.26Å; L25-L48 HydrophobicContact CD1-CB 4.33Å; L25-L48 HydrophobicContact CD2-CB 3.58Å; L25-L48 HydrophobicContact CD2-CD1 3.87Å; L25-L48 HydrophobicContact CD2-CG 4.39Å; L25-L48 HydrophobicContact CG-CB 3.76Å; L25-L48 HydrophobicContact CG-CD1 4.02Å; L25-L48 HydrophobicContact CG-CG 4.43Å; L28-L48 HydrophobicContact CD1-CD1 3.28Å; L28-L48 HydrophobicContact CG-CD1 4.29Å; L44-L48 WeakPolarHBondContact O-CB 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.26Å; L44-L48 PolarHBondContact O-N 3.03Å; T45-L48 PolarHBondContact O-N 3.43Å; S46-L48 VanDerWaalsContact C-N 3.35Å; L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 PolarHBondContact O-N 3.07Å; L48-A51 CarbonylContact O-C 3.55Å; L48-A51 WeakPolarHBondContact O-CB 3.31Å; L48-A51 PolarHBondContact O-N 2.93Å; L48-A51 VanDerWaalsContact O-N 3.11Å; L48-E52 PolarHBondContact O-N 3.49Å |
| 49 | L | 84.4 | Confident | 82.4 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -33.5 | 172.6 | -72.8 | 169.9 | 0 | 0 | 0 | 111.8 | T45 S46 G53 S54 E57 A58 | T45-L49 HydrophobicContact CG2-CD1 4.23Å; T45-L49 HydrophobicContact CG2-CG 4.48Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 3.09Å; S46-L49 PolarHBondContact O-N 3.43Å; L49-G53 PolarHBondContact O-N 2.65Å; L49-S54 PolarHBondContact O-N 3.02Å; L49-E57 HydrophobicContact CD1-CB 4.06Å; L49-A58 HydrophobicContact CB-CB 3.86Å |
| 50 | V | 83.2 | Confident | 82.5 | Confident | 19 Ų | 19 | 41 Ų | 41 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 169.7 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | S46 I47 L48 E52 G53 L55 A58 F62 L82 F123 | S46-V50 WeakPolarHBondContact O-CG2 3Å; S46-V50 PolarHBondContact O-N 3.24Å; I47-V50 WeakPolarHBondContact O-CB 3.43Å; I47-V50 PolarHBondContact O-N 3.35Å; I47-V50 VanDerWaalsContact O-N 3.17Å; L48-V50 VanDerWaalsContact C-N 3.27Å; L48-V50 PolarHBondContact O-N 3.07Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.36Å; V50-G53 PolarHBondContact O-N 3.33Å; V50-G53 VanDerWaalsContact O-N 3.08Å; V50-L55 HydrophobicContact CG1-CD2 4.3Å; V50-A58 HydrophobicContact CG2-CB 3.49Å; V50-A58 VanDerWaalsContact CG2-CB 3.49Å; V50-F62 HydrophobicContact CG2-CE2 3.66Å; V50-F62 HydrophobicContact CG2-CZ 4.32Å; V50-L82 HydrophobicContact CB-CD2 4.38Å; V50-L82 HydrophobicContact CG1-CD2 3.83Å; V50-L82 HydrophobicContact CG2-CD1 4.02Å; V50-L82 HydrophobicContact CG2-CD2 3.72Å; V50-L82 HydrophobicContact CG2-CG 4.26Å; V50-F123 HydrophobicContact CB-CE1 3.88Å; V50-F123 HydrophobicContact CB-CZ 4.38Å; V50-F123 HydrophobicContact CG1-CD1 4.43Å; V50-F123 HydrophobicContact CG1-CE1 3.71Å; V50-F123 HydrophobicContact CG1-CZ 4.29Å; V50-F123 HydrophobicContact CG2-CE1 4.06Å; V50-F123 HydrophobicContact CG2-CZ 4.04Å |
| 51 | A | 79.1 | Confident | 82.6 | Confident | 70 Ų | 70 | 42 Ų | 42 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.3 | -32.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P21 I47 L48 G53 | P21-A51 HydrophobicContact CB-CB 3.87Å; I47-A51 PolarHBondContact O-N 3.48Å; L48-A51 CarbonylContact O-C 3.55Å; L48-A51 WeakPolarHBondContact O-CB 3.31Å; L48-A51 PolarHBondContact O-N 2.93Å; L48-A51 VanDerWaalsContact O-N 3.11Å; A51-G53 VanDerWaalsContact C-N 3.27Å; A51-G53 PolarHBondContact O-N 3.27Å |
| 52 | E | 76.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 42 Ų | 42 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.9 | 172.8 | -107.8 | -163.2 | 168.3 | 0 | 0 | 113.7 | P21 H22 L25 L48 V50 K288 | P21-E52 HydrophobicContact CB-CG 4.21Å; P21-E52 HydrophobicContact CG-CG 4.17Å; H22-E52 IonicContact CE1-OE1 2.86Å; H22-E52 IonicContact CG-OE1 3.07Å; H22-E52 IonicContact ND1-OE1 2.89Å; H22-E52 PolarHBondContact ND1-OE1 3.1Å; L25-E52 VanDerWaalsContact CD1-CD 3.47Å; L25-E52 HydrophobicContact CD1-CG 4.09Å; L48-E52 PolarHBondContact O-N 3.49Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.36Å; E52-K288 IonicContact OE2-NZ 3.26Å |
| 53 | G | 76.4 | Confident | 82.7 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 54% | 0.536 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 4.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | L49 V50 A51 L55 | L49-G53 PolarHBondContact O-N 2.65Å; V50-G53 PolarHBondContact O-N 3.33Å; V50-G53 VanDerWaalsContact O-N 3.08Å; A51-G53 VanDerWaalsContact C-N 3.27Å; A51-G53 PolarHBondContact O-N 3.27Å; G53-L55 PolarHBondContact O-N 3.18Å |
| 54 | S | 81.4 | Confident | 82.6 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | trans | -77.9 | 60.9 | 173.8 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | L49 Q56 E57 A58 | L49-S54 PolarHBondContact O-N 3.02Å; S54-Q56 VanDerWaalsContact C-N 3.31Å; S54-Q56 PolarHBondContact O-N 3.48Å; S54-E57 PolarHBondContact O-N 3.09Å; S54-A58 PolarHBondContact O-N 2.99Å | ||
| 55 | L | 79.3 | Confident | 82.5 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -36.9 | -170.3 | -57.2 | 179.9 | 0 | 0 | 0 | 113.6 | V50 G53 L59 L82 L86 | V50-L55 HydrophobicContact CG1-CD2 4.3Å; G53-L55 PolarHBondContact O-N 3.18Å; L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 3.22Å; L55-L82 HydrophobicContact CB-CD2 4.5Å; L55-L82 HydrophobicContact CD2-CD2 3.66Å; L55-L86 HydrophobicContact CB-CD2 4.36Å; L55-L86 HydrophobicContact CD1-CD2 3.74Å; L55-L86 HydrophobicContact CD1-CG 4.32Å |
| 56 | Q | 80.4 | Confident | 82.3 | Confident | 169 Ų | 169 | 47.4 Ų | 47.4 | 79% | 0.79 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.7 | -40.3 | -179 | -67.1 | -177.2 | -7.3 | 0 | 0 | 112.6 | S54 L59 R60 | S54-Q56 VanDerWaalsContact C-N 3.31Å; S54-Q56 PolarHBondContact O-N 3.48Å; Q56-L59 PolarHBondContact O-N 3.4Å; Q56-R60 PolarHBondContact O-N 3.08Å; Q56-R60 VanDerWaalsContact O-N 3.1Å |
| 57 | E | 81.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.514 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 176.7 | -63.7 | -178.5 | 160.6 | 0 | 0 | 110.4 | L49 S54 L59 R60 C61 | L49-E57 HydrophobicContact CD1-CB 4.06Å; S54-E57 PolarHBondContact O-N 3.09Å; E57-L59 PolarHBondContact O-N 2.99Å; E57-R60 WeakPolarHBondContact O-CB 3.35Å; E57-R60 PolarHBondContact O-N 3.39Å; E57-C61 PolarHBondContact O-N 3.27Å; E57-C61 PolarHBondContact O-SG 3.09Å; E57-C61 VanDerWaalsContact O-SG 3.36Å |
| 58 | A | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 V50 S54 R60 C61 F62 L82 | L49-A58 HydrophobicContact CB-CB 3.86Å; V50-A58 HydrophobicContact CG2-CB 3.49Å; V50-A58 VanDerWaalsContact CG2-CB 3.49Å; S54-A58 PolarHBondContact O-N 2.99Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.83Å; A58-C61 PolarHBondContact O-N 3.03Å; A58-C61 VanDerWaalsContact O-N 3.15Å; A58-F62 HydrophobicContact CB-CD2 4.42Å; A58-F62 HydrophobicContact CB-CE2 4.21Å; A58-F62 WeakPolarHBondContact O-CD2 3.46Å; A58-F62 PolarHBondContact O-N 3.24Å; A58-L82 HydrophobicContact CB-CD1 4.3Å |
| 59 | L | 82.6 | Confident | 81.3 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.6 | -42.2 | 175.2 | -84.2 | 173.3 | 0 | 0 | 0 | 112.1 | L55 Q56 E57 F62 N63 I79 L82 L86 | L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 3.22Å; Q56-L59 PolarHBondContact O-N 3.4Å; E57-L59 PolarHBondContact O-N 2.99Å; L59-F62 PolarHBondContact O-N 3.07Å; L59-N63 WeakPolarHBondContact O-CB 3.44Å; L59-N63 PolarHBondContact O-N 3.5Å; L59-N63 PolarHBondContact O-ND2 3.32Å; L59-I79 HydrophobicContact CD2-CG1 4.47Å; L59-L82 HydrophobicContact CD2-CB 3.7Å; L59-L82 HydrophobicContact CD2-CD1 3.74Å; L59-L82 HydrophobicContact CD2-CG 4.36Å; L59-L82 HydrophobicContact CG-CB 4.14Å; L59-L82 HydrophobicContact CG-CD1 3.89Å; L59-L86 HydrophobicContact CD1-CD1 3.65Å |
| 60 | R | 83.8 | Confident | 81.1 | Confident | 179 Ų | 179 | 71.4 Ų | 71.4 | 68% | 0.675 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.9 | -46.2 | 176.1 | -177.9 | -179.2 | 172.4 | 175 | 0.9 | 111.3 | Q56 E57 A58 N63 E64 | Q56-R60 PolarHBondContact O-N 3.08Å; Q56-R60 VanDerWaalsContact O-N 3.1Å; E57-R60 WeakPolarHBondContact O-CB 3.35Å; E57-R60 PolarHBondContact O-N 3.39Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.83Å; R60-N63 PolarHBondContact O-N 3.02Å; R60-E64 PolarHBondContact O-N 2.95Å; R60-E64 VanDerWaalsContact O-N 3.13Å |
| 61 | C | 84.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | E57 A58 N63 E64 L65 | E57-C61 PolarHBondContact O-N 3.27Å; E57-C61 PolarHBondContact O-SG 3.09Å; E57-C61 VanDerWaalsContact O-SG 3.36Å; A58-C61 PolarHBondContact O-N 3.03Å; A58-C61 VanDerWaalsContact O-N 3.15Å; C61-N63 VanDerWaalsContact C-N 3.34Å; C61-N63 PolarHBondContact O-N 3.45Å; C61-E64 WeakPolarHBondContact O-CB 3.29Å; C61-E64 PolarHBondContact O-N 3.43Å; C61-L65 WeakPolarHBondContact O-CG 3.34Å; C61-L65 PolarHBondContact O-N 3.35Å |
| 62 | F | 85.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 175.4 | -73.4 | -59.1 | 0 | 0 | 0 | 112.1 | L43 S46 I47 V50 A58 L59 E64 L65 K66 S75 S78 I79 L82 F123 | L43-F62 HydrophobicContact CD1-CE1 4.09Å; S46-F62 WeakPolarHBondContact OG-CE1 3.43Å; S46-F62 WeakPolarHBondContact OG-CZ 3.03Å; I47-F62 HydrophobicContact CG1-CE1 4.48Å; I47-F62 HydrophobicContact CG1-CZ 4.16Å; V50-F62 HydrophobicContact CG2-CE2 3.66Å; V50-F62 HydrophobicContact CG2-CZ 4.32Å; A58-F62 HydrophobicContact CB-CD2 4.42Å; A58-F62 HydrophobicContact CB-CE2 4.21Å; A58-F62 WeakPolarHBondContact O-CD2 3.46Å; A58-F62 PolarHBondContact O-N 3.24Å; L59-F62 PolarHBondContact O-N 3.07Å; F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 3.01Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-L65 VanDerWaalsContact O-N 3.12Å; F62-K66 PolarHBondContact O-N 3.48Å; F62-S75 WeakPolarHBondContact O-CB 3.36Å; F62-S78 VanDerWaalsContact CE1-CB 3.43Å; F62-S78 WeakPolarHBondContact CE1-OG 3.49Å; F62-S78 VanDerWaalsContact CZ-CB 3.47Å; F62-S78 VanDerWaalsContact CZ-OG 3.27Å; F62-S78 WeakPolarHBondContact CZ-OG 3.19Å; F62-I79 HydrophobicContact CB-CD1 4.22Å; F62-I79 HydrophobicContact CB-CG1 3.89Å; F62-L82 HydrophobicContact CD2-CD1 3.52Å; F62-L82 HydrophobicContact CE2-CD1 3.73Å; F62-F123 HydrophobicContact CE2-CZ 4.49Å; F62-F123 HydrophobicContact CZ-CZ 4.2Å |
| 63 | N | 83.3 | Confident | 81.9 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.9 | -34 | 174.3 | -79.4 | -50.4 | 0 | 0 | 0 | 112.9 | L59 R60 C61 L65 K66 I79 | L59-N63 WeakPolarHBondContact O-CB 3.44Å; L59-N63 PolarHBondContact O-N 3.5Å; L59-N63 PolarHBondContact O-ND2 3.32Å; R60-N63 PolarHBondContact O-N 3.02Å; C61-N63 VanDerWaalsContact C-N 3.34Å; C61-N63 PolarHBondContact O-N 3.45Å; N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 3.17Å; N63-K66 WeakPolarHBondContact O-CB 3.36Å; N63-K66 PolarHBondContact O-N 3.05Å; N63-I79 WeakPolarHBondContact OD1-CD1 3.35Å |
| 64 | E | 83.9 | Confident | 82.3 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 172.2 | -72 | -177.9 | -165.9 | 0 | 0 | 112.6 | K42 R60 C61 F62 | K42-E64 IonicContact NZ-OE2 2.76Å; K42-E64 PolarHBondContact NZ-OE2 2.88Å; R60-E64 PolarHBondContact O-N 2.95Å; R60-E64 VanDerWaalsContact O-N 3.13Å; C61-E64 WeakPolarHBondContact O-CB 3.29Å; C61-E64 PolarHBondContact O-N 3.43Å; F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 3.01Å |
| 65 | L | 82.7 | Confident | 82.6 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -82.4 | -21.4 | -179 | -67.4 | 170.7 | 0 | 0 | 0 | 113.2 | P39 K42 L43 C61 F62 N63 N67 R68 F71 | P39-L65 HydrophobicContact CB-CD2 4.21Å; K42-L65 HydrophobicContact CB-CD1 4.48Å; K42-L65 HydrophobicContact CB-CD2 4.24Å; L43-L65 HydrophobicContact CB-CD1 3.98Å; L43-L65 HydrophobicContact CD1-CD1 3.92Å; C61-L65 WeakPolarHBondContact O-CG 3.34Å; C61-L65 PolarHBondContact O-N 3.35Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-L65 VanDerWaalsContact O-N 3.12Å; N63-L65 VanDerWaalsContact C-N 3.3Å; N63-L65 PolarHBondContact O-N 3.17Å; L65-N67 PolarHBondContact O-N 3.01Å; L65-R68 PolarHBondContact O-N 3.44Å; L65-F71 HydrophobicContact CB-CB 4.32Å |
| 66 | K | 79.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 61 Ų | 61 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30.6 | -178.1 | -173.8 | 172.3 | 170 | 169.4 | 0 | 114.7 | F62 N63 S75 L76 I79 | F62-K66 PolarHBondContact O-N 3.48Å; N63-K66 WeakPolarHBondContact O-CB 3.36Å; N63-K66 PolarHBondContact O-N 3.05Å; K66-S75 WeakPolarHBondContact CA-OG 3.44Å; K66-L76 HydrophobicContact CD-CD2 4.12Å; K66-L76 HydrophobicContact CG-CD2 4.35Å; K66-I79 HydrophobicContact CD-CD1 4.2Å |
| 67 | N | 77.6 | Confident | 83.1 | Confident | 143 Ų | 143 | 53.4 Ų | 53.4 | 77% | 0.765 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5 | -176.3 | -64.4 | -23.9 | 0 | 0 | 0 | 114.5 | L65 | L65-N67 PolarHBondContact O-N 3.01Š|
| 68 | R | 80.2 | Confident | 83.2 | Confident | 134 Ų | 134 | 48.1 Ų | 48.1 | 51% | 0.506 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -96 | 127.5 | 179.4 | -66.7 | -164.3 | 176.7 | -157.7 | 1.7 | 110.8 | L65 E70 F71 S72 | L65-R68 PolarHBondContact O-N 3.44Å; R68-E70 PolarHBondContact O-N 3.48Å; R68-F71 HydrophobicContact CB-CD2 4.13Å; R68-F71 PolarHBondContact O-N 3.36Å; R68-S72 WeakPolarHBondContact O-CB 3.42Å; R68-S72 PolarHBondContact O-N 3.49Å |
| 69 | E | 76.2 | Confident | 83.2 | Confident | 177 Ų | 177 | 48.3 Ų | 48.3 | 83% | 0.827 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -51 | -50.2 | -174.1 | -68 | -176.2 | 169.8 | 0 | 0 | 113.2 | F71 S72 | E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 3.39Å; E69-S72 PolarHBondContact O-OG 3.09Å |
| 70 | E | 81.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 35% | 0.346 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -27.8 | -178.6 | -64.5 | -175.2 | 149.7 | 0 | 0 | 113.9 | R68 R111 S112 F115 | R68-E70 PolarHBondContact O-N 3.48Å; E70-R111 IonicContact OE1-NH1 3.27Å; E70-R111 PolarHBondContact OE1-NH1 3.08Å; E70-R111 VanDerWaalsContact OE1-NH1 3.16Å; E70-S112 VanDerWaalsContact O-CA 3.27Å; E70-S112 WeakPolarHBondContact O-CA 3.39Å; E70-S112 WeakPolarHBondContact O-CB 3.08Å; E70-F115 HydrophobicContact CB-CE2 4.4Å |
| 71 | F | 84.9 | Confident | 83 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -109.8 | -10.7 | -173 | -60.4 | -79.2 | 0 | 0 | 0 | 113.6 | P39 F40 L43 L65 R68 E69 L73 A74 S75 F115 | P39-F71 HydrophobicContact CB-CD2 4.08Å; P39-F71 HydrophobicContact CB-CE2 3.59Å; P39-F71 HydrophobicContact CB-CZ 4.02Å; P39-F71 HydrophobicContact CG-CD2 4.5Å; P39-F71 HydrophobicContact CG-CE2 3.6Å; P39-F71 HydrophobicContact CG-CZ 3.98Å; F40-F71 HydrophobicContact CB-CE1 4.37Å; F40-F71 HydrophobicContact CB-CZ 4.19Å; F40-F71 HydrophobicContact CD2-CE1 4.31Å; L43-F71 HydrophobicContact CB-CD1 4.23Å; L43-F71 HydrophobicContact CB-CE1 4.33Å; L43-F71 HydrophobicContact CD1-CD1 4.37Å; L43-F71 HydrophobicContact CD2-CD1 3.93Å; L43-F71 HydrophobicContact CD2-CE1 4.08Å; L43-F71 HydrophobicContact CG-CD1 4.39Å; L65-F71 HydrophobicContact CB-CB 4.32Å; R68-F71 HydrophobicContact CB-CD2 4.13Å; R68-F71 PolarHBondContact O-N 3.36Å; E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 3.39Å; F71-L73 PolarHBondContact O-N 3.26Å; F71-A74 PolarHBondContact O-N 3.04Å; F71-S75 WeakPolarHBondContact O-CB 3.45Å; F71-S75 PolarHBondContact O-N 3.35Å; F71-S75 PolarHBondContact O-OG 3.16Å; F71-F115 AromaticContact CD1-CD2 3.91Å; F71-F115 HydrophobicContact CD1-CD2 3.91Å; F71-F115 HydrophobicContact CD1-CE2 4.25Å; F71-F115 HydrophobicContact CD1-CG 4.25Å; F71-F115 HydrophobicContact CE1-CD1 4.29Å; F71-F115 AromaticContact CE1-CD2 3.64Å; F71-F115 HydrophobicContact CE1-CD2 3.64Å; F71-F115 HydrophobicContact CE1-CE1 4.24Å; F71-F115 AromaticContact CE1-CE2 3.56Å; F71-F115 HydrophobicContact CE1-CE2 3.56Å; F71-F115 HydrophobicContact CE1-CG 4.02Å; F71-F115 AromaticContact CE1-CZ 3.88Å; F71-F115 HydrophobicContact CE1-CZ 3.88Å; F71-F115 HydrophobicContact CZ-CD2 4.25Å; F71-F115 AromaticContact CZ-CE2 3.74Å; F71-F115 HydrophobicContact CZ-CE2 3.74Å; F71-F115 HydrophobicContact CZ-CZ 4.05Å |
| 72 | S | 83.5 | Confident | 82.8 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.2 | -50.4 | -175 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | R68 E69 S75 L76 | R68-S72 WeakPolarHBondContact O-CB 3.42Å; R68-S72 PolarHBondContact O-N 3.49Å; E69-S72 PolarHBondContact O-OG 3.09Å; S72-S75 PolarHBondContact O-N 3.15Å; S72-S75 PolarHBondContact O-OG 3.23Å; S72-L76 WeakPolarHBondContact O-CG 3.4Å; S72-L76 PolarHBondContact O-N 3.25Å |
| 73 | L | 86.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 179.1 | -172.8 | 65.1 | 0 | 0 | 0 | 112 | F71 L76 I77 T101 L104 R105 A108 L113 S116 Y132 | F71-L73 PolarHBondContact O-N 3.26Å; L73-L76 PolarHBondContact O-N 3.37Å; L73-I77 HydrophobicContact CD1-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 4.16Å; L73-I77 WeakPolarHBondContact O-CD1 3.42Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.25Å; L73-I77 PolarHBondContact O-N 2.61Å; L73-I77 VanDerWaalsContact O-N 3.12Å; L73-T101 HydrophobicContact CD1-CG2 3.95Å; L73-L104 HydrophobicContact CD1-CB 3.88Å; L73-R105 HydrophobicContact CD1-CB 4.42Å; L73-A108 HydrophobicContact CD2-CB 3.9Å; L73-L113 HydrophobicContact CD2-CD2 4.06Å; L73-S116 WeakPolarHBondContact CB-OG 3.26Å; L73-S116 WeakPolarHBondContact CD2-OG 3.35Å; L73-S116 WeakPolarHBondContact CG-OG 3.47Å; L73-Y132 HydrophobicContact CD2-CD1 4.35Å; L73-Y132 HydrophobicContact CD2-CE1 4Å; L73-Y132 HydrophobicContact CG-CE1 4.48Å |
| 74 | A | 86.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 F71 I77 S78 F115 S116 V119 | L43-A74 HydrophobicContact CD1-CB 4.28Å; F71-A74 PolarHBondContact O-N 3.04Å; A74-I77 PolarHBondContact O-N 2.82Å; A74-S78 PolarHBondContact O-N 3Å; A74-S78 PolarHBondContact O-OG 2.72Å; A74-S78 VanDerWaalsContact O-OG 3.06Å; A74-F115 HydrophobicContact CB-CB 4.13Å; A74-S116 PolarHBondContact N-OG 3.01Å; A74-V119 HydrophobicContact CB-CG2 3.94Å |
| 75 | S | 86.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 179.5 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | F62 K66 F71 S72 S78 I79 | F62-S75 WeakPolarHBondContact O-CB 3.36Å; K66-S75 WeakPolarHBondContact CA-OG 3.44Å; F71-S75 WeakPolarHBondContact O-CB 3.45Å; F71-S75 PolarHBondContact O-N 3.35Å; F71-S75 PolarHBondContact O-OG 3.16Å; S72-S75 PolarHBondContact O-N 3.15Å; S72-S75 PolarHBondContact O-OG 3.23Å; S75-S78 PolarHBondContact O-N 3.1Å; S75-I79 WeakPolarHBondContact O-CB 3.42Å; S75-I79 WeakPolarHBondContact O-CD1 3.5Å; S75-I79 WeakPolarHBondContact O-CG1 3.45Å; S75-I79 PolarHBondContact O-N 3.02Å |
| 76 | L | 84.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 176.4 | -76.7 | 168.1 | 0 | 0 | 0 | 111.9 | K66 S72 L73 S78 I79 E80 C97 R100 L104 | K66-L76 HydrophobicContact CD-CD2 4.12Å; K66-L76 HydrophobicContact CG-CD2 4.35Å; S72-L76 WeakPolarHBondContact O-CG 3.4Å; S72-L76 PolarHBondContact O-N 3.25Å; L73-L76 PolarHBondContact O-N 3.37Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.2Å; L76-I79 PolarHBondContact O-N 3.19Å; L76-E80 WeakPolarHBondContact O-CB 3.14Å; L76-E80 PolarHBondContact O-N 3.48Å; L76-C97 HydrophobicContact CD2-CB 4.48Å; L76-R100 HydrophobicContact CD1-CB 4.06Å; L76-R100 HydrophobicContact CD1-CG 3.78Å; L76-L104 HydrophobicContact CD1-CD1 3.34Å |
| 77 | I | 85.1 | Confident | 79.6 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 173.9 | -68.8 | 166.3 | 0 | 0 | 0 | 110.7 | L73 A74 Y81 T101 L120 Y132 | L73-I77 HydrophobicContact CD1-CD1 4.43Å; L73-I77 HydrophobicContact CG-CD1 4.16Å; L73-I77 WeakPolarHBondContact O-CD1 3.42Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.25Å; L73-I77 PolarHBondContact O-N 2.61Å; L73-I77 VanDerWaalsContact O-N 3.12Å; A74-I77 PolarHBondContact O-N 2.82Å; I77-Y81 WeakPolarHBondContact O-CB 3.34Å; I77-Y81 PolarHBondContact O-N 2.91Å; I77-T101 HydrophobicContact CD1-CG2 4.24Å; I77-T101 HydrophobicContact CG1-CG2 3.75Å; I77-L120 HydrophobicContact CD1-CD1 4.41Å; I77-L120 HydrophobicContact CG2-CD2 3.57Å; I77-L120 HydrophobicContact CG2-CG 3.94Å; I77-Y132 HydrophobicContact CD1-CE1 4.12Å |
| 78 | S | 84 | Confident | 78.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | F62 A74 S75 L76 Y81 L82 V119 | F62-S78 VanDerWaalsContact CE1-CB 3.43Å; F62-S78 WeakPolarHBondContact CE1-OG 3.49Å; F62-S78 VanDerWaalsContact CZ-CB 3.47Å; F62-S78 VanDerWaalsContact CZ-OG 3.27Å; F62-S78 WeakPolarHBondContact CZ-OG 3.19Å; A74-S78 PolarHBondContact O-N 3Å; A74-S78 PolarHBondContact O-OG 2.72Å; A74-S78 VanDerWaalsContact O-OG 3.06Å; S75-S78 PolarHBondContact O-N 3.1Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.2Å; S78-Y81 PolarHBondContact O-N 2.92Å; S78-L82 WeakPolarHBondContact O-CB 3.42Å; S78-L82 VanDerWaalsContact O-CG 3.25Å; S78-L82 WeakPolarHBondContact O-CG 3.33Å; S78-L82 PolarHBondContact O-N 3.49Å; S78-V119 WeakPolarHBondContact OG-CG1 3.32Å |
| 79 | I | 83.6 | Confident | 77.3 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.3 | -69.7 | 162.5 | 0 | 0 | 0 | 109.7 | L59 F62 N63 K66 S75 L76 Y81 L82 H83 | L59-I79 HydrophobicContact CD2-CG1 4.47Å; F62-I79 HydrophobicContact CB-CD1 4.22Å; F62-I79 HydrophobicContact CB-CG1 3.89Å; N63-I79 WeakPolarHBondContact OD1-CD1 3.35Å; K66-I79 HydrophobicContact CD-CD1 4.2Å; S75-I79 WeakPolarHBondContact O-CB 3.42Å; S75-I79 WeakPolarHBondContact O-CD1 3.5Å; S75-I79 WeakPolarHBondContact O-CG1 3.45Å; S75-I79 PolarHBondContact O-N 3.02Å; L76-I79 PolarHBondContact O-N 3.19Å; I79-Y81 VanDerWaalsContact C-N 3.32Å; I79-Y81 PolarHBondContact O-N 2.74Å; I79-L82 PolarHBondContact O-N 2.97Å; I79-H83 VanDerWaalsContact CG2-CD2 3.49Å; I79-H83 WeakPolarHBondContact CG2-CD2 3.35Å; I79-H83 PolarHBondContact O-CD2 3.28Å; I79-H83 PolarHBondContact O-N 3.25Å |
| 80 | E | 80.7 | Confident | 76.7 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.8 | -49.2 | 172.3 | -173.4 | -166.7 | 134.2 | 0 | 0 | 110.7 | L76 H83 T84 V94 C97 E98 | L76-E80 WeakPolarHBondContact O-CB 3.14Å; L76-E80 PolarHBondContact O-N 3.48Å; E80-H83 PolarHBondContact O-N 3.03Å; E80-T84 WeakPolarHBondContact O-CG2 3.49Å; E80-T84 PolarHBondContact O-N 3.07Å; E80-V94 HydrophobicContact CG-CG1 4.24Å; E80-C97 HydrophobicContact CB-CB 4.38Å; E80-E98 HydrophobicContact CG-CG 4.27Å |
| 81 | Y | 82.4 | Confident | 75.9 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 178.5 | -175 | -113.6 | 0 | 0 | 0 | 113.4 | I77 S78 I79 H83 T84 E85 F123 K125 | I77-Y81 WeakPolarHBondContact O-CB 3.34Å; I77-Y81 PolarHBondContact O-N 2.91Å; S78-Y81 PolarHBondContact O-N 2.92Å; I79-Y81 VanDerWaalsContact C-N 3.32Å; I79-Y81 PolarHBondContact O-N 2.74Å; Y81-H83 VanDerWaalsContact C-N 3.34Å; Y81-H83 PolarHBondContact O-N 3.24Å; Y81-T84 PolarHBondContact O-N 2.92Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3.18Å; Y81-E85 HydrophobicContact CE1-CG 4.28Å; Y81-E85 PolarHBondContact O-N 2.93Å; Y81-F123 HydrophobicContact CD1-CB 4.19Å; Y81-F123 AromaticContact CD1-CD1 3.97Å; Y81-F123 HydrophobicContact CD1-CD1 3.97Å; Y81-F123 AromaticContact CD1-CD2 3.53Å; Y81-F123 HydrophobicContact CD1-CD2 3.53Å; Y81-F123 HydrophobicContact CD1-CE1 4.21Å; Y81-F123 AromaticContact CD1-CE2 3.79Å; Y81-F123 HydrophobicContact CD1-CE2 3.79Å; Y81-F123 AromaticContact CD1-CG 3.63Å; Y81-F123 HydrophobicContact CD1-CG 3.63Å; Y81-F123 HydrophobicContact CD1-CZ 4.12Å; Y81-F123 HydrophobicContact CE1-CB 3.97Å; Y81-F123 AromaticContact CE1-CD1 3.84Å; Y81-F123 HydrophobicContact CE1-CD1 3.84Å; Y81-F123 HydrophobicContact CE1-CD2 4.12Å; Y81-F123 HydrophobicContact CE1-CE1 4.36Å; Y81-F123 AromaticContact CE1-CG 3.72Å; Y81-F123 HydrophobicContact CE1-CG 3.72Å; Y81-F123 HydrophobicContact CE2-CB 4.5Å; Y81-F123 AromaticContact CG-CD2 3.86Å; Y81-F123 HydrophobicContact CG-CD2 3.86Å; Y81-F123 HydrophobicContact CG-CE2 4.28Å; Y81-F123 HydrophobicContact CG-CG 4.25Å; Y81-K125 VanDerWaalsContact CD2-CE 3.44Å; Y81-K125 VanDerWaalsContact CD2-NZ 3.27Å; Y81-K125 VanDerWaalsContact CE2-CE 3.5Å |
| 82 | L | 80.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | -179 | -74.1 | 166.9 | 0 | 0 | 0 | 112.6 | V50 L55 A58 L59 F62 S78 I79 T84 E85 L86 | V50-L82 HydrophobicContact CB-CD2 4.38Å; V50-L82 HydrophobicContact CG1-CD2 3.83Å; V50-L82 HydrophobicContact CG2-CD1 4.02Å; V50-L82 HydrophobicContact CG2-CD2 3.72Å; V50-L82 HydrophobicContact CG2-CG 4.26Å; L55-L82 HydrophobicContact CB-CD2 4.5Å; L55-L82 HydrophobicContact CD2-CD2 3.66Å; A58-L82 HydrophobicContact CB-CD1 4.3Å; L59-L82 HydrophobicContact CD2-CB 3.7Å; L59-L82 HydrophobicContact CD2-CD1 3.74Å; L59-L82 HydrophobicContact CD2-CG 4.36Å; L59-L82 HydrophobicContact CG-CB 4.14Å; L59-L82 HydrophobicContact CG-CD1 3.89Å; F62-L82 HydrophobicContact CD2-CD1 3.52Å; F62-L82 HydrophobicContact CE2-CD1 3.73Å; S78-L82 WeakPolarHBondContact O-CB 3.42Å; S78-L82 VanDerWaalsContact O-CG 3.25Å; S78-L82 WeakPolarHBondContact O-CG 3.33Å; S78-L82 PolarHBondContact O-N 3.49Å; I79-L82 PolarHBondContact O-N 2.97Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.68Å; L82-E85 PolarHBondContact O-N 3.43Å; L82-L86 WeakPolarHBondContact O-CG 3.28Å; L82-L86 PolarHBondContact O-N 3.25Å; L82-L86 VanDerWaalsContact O-N 3.17Å |
| 83 | H | 78.2 | Confident | 74.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -25 | 174.3 | -77.6 | -66.4 | 0 | 0 | 0 | 112.9 | I79 E80 Y81 Y90 V94 | I79-H83 VanDerWaalsContact CG2-CD2 3.49Å; I79-H83 WeakPolarHBondContact CG2-CD2 3.35Å; I79-H83 PolarHBondContact O-CD2 3.28Å; I79-H83 PolarHBondContact O-N 3.25Å; E80-H83 PolarHBondContact O-N 3.03Å; Y81-H83 VanDerWaalsContact C-N 3.34Å; Y81-H83 PolarHBondContact O-N 3.24Å; H83-Y90 AromaticContact CE1-CD2 3.94Å; H83-Y90 AromaticContact ND1-CD2 3.45Å; H83-Y90 WeakPolarHBondContact ND1-CD2 3.45Å; H83-Y90 AromaticContact ND1-CG 3.74Å; H83-V94 HydrophobicContact CB-CG2 3.69Å |
| 84 | T | 75.3 | Confident | 74 | Confident | 83 Ų | 83 | 61 Ų | 61 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.7 | -29.9 | 171.6 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | E80 Y81 L82 | E80-T84 WeakPolarHBondContact O-CG2 3.49Å; E80-T84 PolarHBondContact O-N 3.07Å; Y81-T84 PolarHBondContact O-N 2.92Å; Y81-T84 VanDerWaalsContact O-N 3.15Å; Y81-T84 PolarHBondContact O-OG1 3.18Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.68Å |
| 85 | E | 69.4 | Low | 73.4 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -85.4 | -20.6 | -179.9 | -69.6 | -66.5 | 148 | 0 | 0 | 113.4 | Y81 L82 P87 | Y81-E85 HydrophobicContact CE1-CG 4.28Å; Y81-E85 PolarHBondContact O-N 2.93Å; L82-E85 PolarHBondContact O-N 3.43Å; E85-P87 WeakPolarHBondContact O-CD 3.46Å |
| 86 | L | 68 | Low | 73 | Confident | 49 Ų | 49 | 71.4 Ų | 71.4 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -79.4 | 125.8 | -179.5 | -75.8 | 166.8 | 0 | 0 | 0 | 111.2 | L55 L59 L82 K88 | L55-L86 HydrophobicContact CB-CD2 4.36Å; L55-L86 HydrophobicContact CD1-CD2 3.74Å; L55-L86 HydrophobicContact CD1-CG 4.32Å; L59-L86 HydrophobicContact CD1-CD1 3.65Å; L82-L86 WeakPolarHBondContact O-CG 3.28Å; L82-L86 PolarHBondContact O-N 3.25Å; L82-L86 VanDerWaalsContact O-N 3.17Å; L86-K88 PolarHBondContact O-N 3.38Å |
| 87 | P | 56.6 | Low | 72.6 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 83% | 0.825 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.1 | 15.7 | -172.3 | -23.4 | 32.4 | 0 | 0 | 0 | 118.4 | E85 | E85-P87 WeakPolarHBondContact O-CD 3.46Š|
| 88 | K | 58.4 | Low | 72.3 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 70% | 0.704 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -147.8 | 106.2 | -174.5 | -66.1 | -175.4 | -179.3 | 176.8 | 0 | 112.5 | L86 Y90 | L86-K88 PolarHBondContact O-N 3.38Å; K88-Y90 WeakPolarHBondContact O-CD2 3.35Å; K88-Y90 WeakPolarHBondContact O-CE2 3.29Å |
| 89 | I | 51.5 | Low | 72.2 | Confident | 161 Ų | 161 | 78 Ų | 78 | 83% | 0.826 | 39% | 0.389 | S | S | * | . | trans | 34.2 | 84.9 | 143 | -46.6 | 167 | 0 | 0 | 0 | 115.6 | ||||
| 90 | Y | 62.9 | Low | 72 | Confident | 126 Ų | 126 | 83.1 Ų | 83.1 | 49% | 0.494 | 41% | 0.408 | S | S | . | . | trans | -139.3 | 45.5 | 160 | -64.6 | -74.9 | 0 | 0 | 0 | 111 | H83 K88 D92 V93 V94 | H83-Y90 AromaticContact CE1-CD2 3.94Å; H83-Y90 AromaticContact ND1-CD2 3.45Å; H83-Y90 WeakPolarHBondContact ND1-CD2 3.45Å; H83-Y90 AromaticContact ND1-CG 3.74Å; K88-Y90 WeakPolarHBondContact O-CD2 3.35Å; K88-Y90 WeakPolarHBondContact O-CE2 3.29Å; Y90-D92 PolarHBondContact O-N 3.08Å; Y90-V93 HydrophobicContact CD1-CG2 4.09Å; Y90-V93 HydrophobicContact CG-CG2 4.43Å; Y90-V93 PolarHBondContact O-N 3.06Å; Y90-V93 VanDerWaalsContact O-N 3.1Å; Y90-V94 WeakPolarHBondContact O-CG2 3.46Å; Y90-V94 PolarHBondContact O-N 3.49Å; Y90-V94 VanDerWaalsContact O-N 3.08Å | ||
| 91 | Q | 63.8 | Low | 72.1 | Confident | 149 Ų | 149 | 82.4 Ų | 82.4 | 70% | 0.696 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -53.8 | -40 | 177.8 | -93.4 | 176 | -37 | 0 | 0 | 111.9 | V93 V94 E95 | Q91-V93 VanDerWaalsContact C-N 3.32Å; Q91-V93 PolarHBondContact O-N 2.75Å; Q91-V94 PolarHBondContact O-N 3.43Å; Q91-E95 PolarHBondContact O-N 2.93Å |
| 92 | D | 70.4 | Confident | 72 | Confident | 133 Ų | 133 | 86.9 Ų | 86.9 | 71% | 0.711 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 178 | -56.2 | -8.4 | 0 | 0 | 0 | 112.9 | Y90 E95 E96 | Y90-D92 PolarHBondContact O-N 3.08Å; D92-E95 PolarHBondContact O-N 3.41Å; D92-E96 WeakPolarHBondContact O-CB 3.4Å; D92-E96 PolarHBondContact O-N 3.19Å |
| 93 | V | 72.6 | Confident | 72.1 | Confident | 44 Ų | 44 | 93 Ų | 93 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.8 | -37.2 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | Y90 Q91 C97 | Y90-V93 HydrophobicContact CD1-CG2 4.09Å; Y90-V93 HydrophobicContact CG-CG2 4.43Å; Y90-V93 PolarHBondContact O-N 3.06Å; Y90-V93 VanDerWaalsContact O-N 3.1Å; Q91-V93 VanDerWaalsContact C-N 3.32Å; Q91-V93 PolarHBondContact O-N 2.75Å; V93-C97 WeakPolarHBondContact O-CB 3.07Å; V93-C97 PolarHBondContact O-N 3.3Å; V93-C97 PolarHBondContact O-SG 3Å |
| 94 | V | 71.7 | Confident | 72.2 | Confident | 22 Ų | 22 | 94.2 Ų | 94.2 | 13% | 0.133 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173.9 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | E80 H83 Y90 Q91 E96 C97 E98 | E80-V94 HydrophobicContact CG-CG1 4.24Å; H83-V94 HydrophobicContact CB-CG2 3.69Å; Y90-V94 WeakPolarHBondContact O-CG2 3.46Å; Y90-V94 PolarHBondContact O-N 3.49Å; Y90-V94 VanDerWaalsContact O-N 3.08Å; Q91-V94 PolarHBondContact O-N 3.43Å; V94-E96 PolarHBondContact O-N 2.79Å; V94-C97 PolarHBondContact O-N 3.49Å; V94-E98 HydrophobicContact CG1-CG 4.31Å; V94-E98 WeakPolarHBondContact O-CB 3.42Å; V94-E98 WeakPolarHBondContact O-CG 3.32Å; V94-E98 PolarHBondContact O-N 2.87Å |
| 95 | E | 74.8 | Confident | 72.4 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 54% | 0.542 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.5 | -74.5 | -172.6 | -179.7 | 0 | 0 | 112.8 | Q91 D92 E98 N99 | Q91-E95 PolarHBondContact O-N 2.93Å; D92-E95 PolarHBondContact O-N 3.41Å; E95-E98 PolarHBondContact O-N 3.21Å; E95-N99 WeakPolarHBondContact O-CB 3.17Å; E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.03Å; E95-N99 PolarHBondContact O-ND2 3.38Å |
| 96 | E | 79.1 | Confident | 73 | Confident | 103 Ų | 103 | 98.4 Ų | 98.4 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.8 | -167.6 | -163.9 | 150.7 | 0 | 0 | 111.2 | D92 V94 N99 R100 | D92-E96 WeakPolarHBondContact O-CB 3.4Å; D92-E96 PolarHBondContact O-N 3.19Å; V94-E96 PolarHBondContact O-N 2.79Å; E96-N99 PolarHBondContact O-N 3.37Å; E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.22Å |
| 97 | C | 76 | Confident | 73.6 | Confident | 2 Ų | 2 | 104 Ų | 104 | 1% | 0.014 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 178.4 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | L76 E80 V93 V94 N99 R100 T101 | L76-C97 HydrophobicContact CD2-CB 4.48Å; E80-C97 HydrophobicContact CB-CB 4.38Å; V93-C97 WeakPolarHBondContact O-CB 3.07Å; V93-C97 PolarHBondContact O-N 3.3Å; V93-C97 PolarHBondContact O-SG 3Å; V94-C97 PolarHBondContact O-N 3.49Å; C97-N99 PolarHBondContact O-N 2.89Å; C97-R100 PolarHBondContact O-N 3.33Å; C97-T101 WeakPolarHBondContact O-CB 3.19Å; C97-T101 PolarHBondContact O-N 3.23Å; C97-T101 PolarHBondContact O-OG1 3.35Å |
| 98 | E | 78 | Confident | 74.7 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.4 | -78.7 | -175.4 | -179.2 | 0 | 0 | 112.3 | E80 V94 E95 R100 T101 R102 | E80-E98 HydrophobicContact CG-CG 4.27Å; V94-E98 HydrophobicContact CG1-CG 4.31Å; V94-E98 WeakPolarHBondContact O-CB 3.42Å; V94-E98 WeakPolarHBondContact O-CG 3.32Å; V94-E98 PolarHBondContact O-N 2.87Å; E95-E98 PolarHBondContact O-N 3.21Å; E98-R100 VanDerWaalsContact C-N 3.35Å; E98-T101 PolarHBondContact O-N 3.16Å; E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 2.84Å |
| 99 | N | 81.4 | Confident | 76 | Confident | 73 Ų | 73 | 94.6 Ų | 94.6 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.4 | -75.9 | -37.9 | 0 | 0 | 0 | 110.7 | E95 E96 C97 R102 E103 | E95-N99 WeakPolarHBondContact O-CB 3.17Å; E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.03Å; E95-N99 PolarHBondContact O-ND2 3.38Å; E96-N99 PolarHBondContact O-N 3.37Å; C97-N99 PolarHBondContact O-N 2.89Å; N99-R102 WeakPolarHBondContact O-CB 3.45Å; N99-R102 PolarHBondContact O-N 3.35Å; N99-R102 PolarHBondContact OD1-NH1 3.01Å; N99-R102 PolarHBondContact OD1-NH2 3.46Å; N99-E103 PolarHBondContact O-N 3.46Å; N99-E103 VanDerWaalsContact O-N 3.15Å |
| 100 | R | 80.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 88.8 Ų | 88.8 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.9 | -36.8 | -179.3 | -157.5 | 169.6 | -173.5 | 147.5 | 1.2 | 113 | L76 E96 C97 E98 R102 E103 L104 | L76-R100 HydrophobicContact CD1-CB 4.06Å; L76-R100 HydrophobicContact CD1-CG 3.78Å; E96-R100 WeakPolarHBondContact O-CB 3.33Å; E96-R100 PolarHBondContact O-N 3.22Å; C97-R100 PolarHBondContact O-N 3.33Å; E98-R100 VanDerWaalsContact C-N 3.35Å; R100-R102 VanDerWaalsContact C-N 3.32Å; R100-E103 PolarHBondContact O-N 3.26Å; R100-L104 HydrophobicContact CG-CD1 4.31Å; R100-L104 WeakPolarHBondContact O-CG 2.89Å; R100-L104 PolarHBondContact O-N 3.48Å |
| 101 | T | 81.9 | Confident | 78.7 | Confident | 9 Ų | 9 | 89.4 Ų | 89.4 | 6% | 0.055 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.4 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | L73 I77 C97 E98 E103 R105 | L73-T101 HydrophobicContact CD1-CG2 3.95Å; I77-T101 HydrophobicContact CD1-CG2 4.24Å; I77-T101 HydrophobicContact CG1-CG2 3.75Å; C97-T101 WeakPolarHBondContact O-CB 3.19Å; C97-T101 PolarHBondContact O-N 3.23Å; C97-T101 PolarHBondContact O-OG1 3.35Å; E98-T101 PolarHBondContact O-N 3.16Å; T101-E103 PolarHBondContact O-N 3.49Å; T101-R105 WeakPolarHBondContact O-CB 3.45Å; T101-R105 PolarHBondContact O-N 3.15Å |
| 102 | R | 81.7 | Confident | 79.9 | Confident | 141 Ų | 141 | 82.5 Ų | 82.5 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 176.1 | -80 | -175.2 | -96.5 | 128.4 | -7.4 | 112.9 | E98 N99 R100 | E98-R102 WeakPolarHBondContact O-CG 3.42Å; E98-R102 PolarHBondContact O-N 2.84Å; N99-R102 WeakPolarHBondContact O-CB 3.45Å; N99-R102 PolarHBondContact O-N 3.35Å; N99-R102 PolarHBondContact OD1-NH1 3.01Å; N99-R102 PolarHBondContact OD1-NH2 3.46Å; R100-R102 VanDerWaalsContact C-N 3.32Å |
| 103 | E | 81.3 | Confident | 80.8 | Confident | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.2 | -52.8 | 176.5 | -71.5 | 176.1 | 176.4 | 0 | 0 | 111.8 | N99 R100 T101 R105 R106 | N99-E103 PolarHBondContact O-N 3.46Å; N99-E103 VanDerWaalsContact O-N 3.15Å; R100-E103 PolarHBondContact O-N 3.26Å; T101-E103 PolarHBondContact O-N 3.49Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.28Å; E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.28Å; E103-R106 VanDerWaalsContact O-N 3.16Å |
| 104 | L | 80.9 | Confident | 81.5 | Confident | 58 Ų | 58 | 75.2 Ų | 75.2 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | -177.8 | -72.9 | 168.3 | 0 | 0 | 0 | 112.4 | L73 L76 R100 R106 H107 A108 | L73-L104 HydrophobicContact CD1-CB 3.88Å; L76-L104 HydrophobicContact CD1-CD1 3.34Å; R100-L104 HydrophobicContact CG-CD1 4.31Å; R100-L104 WeakPolarHBondContact O-CG 2.89Å; R100-L104 PolarHBondContact O-N 3.48Å; L104-R106 PolarHBondContact O-N 2.89Å; L104-R106 VanDerWaalsContact O-N 3.12Å; L104-H107 PolarHBondContact O-N 3.28Å; L104-H107 VanDerWaalsContact O-N 3.11Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 2.87Å; L104-A108 VanDerWaalsContact O-N 3.08Å |
| 105 | R | 80.7 | Confident | 82.4 | Confident | 67 Ų | 67 | 74.7 Ų | 74.7 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.2 | 176.7 | -170 | 178.6 | -168.7 | -165.5 | 0.7 | 113.2 | L73 T101 E103 E131 Y132 K135 | L73-R105 HydrophobicContact CD1-CB 4.42Å; T101-R105 WeakPolarHBondContact O-CB 3.45Å; T101-R105 PolarHBondContact O-N 3.15Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.28Å; R105-E131 IonicContact CZ-OE2 3.96Å; R105-E131 IonicContact NH1-OE2 2.77Å; R105-E131 IonicContact NH2-OE2 2.9Å; R105-E131 PolarHBondContact NH2-OE2 3.12Å; R105-Y132 WeakPolarHBondContact CD-OH 3.08Å; R105-Y132 HydrophobicContact CG-CE1 3.95Å; R105-K135 VanDerWaalsContact CZ-NZ 3.33Å; R105-K135 VanDerWaalsContact NH2-NZ 3.15Å |
| 106 | R | 80.1 | Confident | 83.1 | Confident | 210 Ų | 210 | 69.2 Ų | 69.2 | 79% | 0.792 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -27.9 | 178.8 | -65.9 | 179.1 | 179.4 | 176.3 | 0.2 | 113.4 | E103 L104 | E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.28Å; E103-R106 VanDerWaalsContact O-N 3.16Å; L104-R106 PolarHBondContact O-N 2.89Å; L104-R106 VanDerWaalsContact O-N 3.12Å |
| 107 | H | 81 | Confident | 83.6 | Confident | 167 Ų | 167 | 64.3 Ų | 64.3 | 77% | 0.773 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -115.6 | 13.6 | -175.7 | -60.2 | -63.8 | 0 | 0 | 0 | 113.1 | L104 | L104-H107 PolarHBondContact O-N 3.28Å; L104-H107 VanDerWaalsContact O-N 3.11Å |
| 108 | A | 80.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | trans | -68.3 | 131.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L73 L104 S112 L113 | L73-A108 HydrophobicContact CD2-CB 3.9Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 2.87Å; L104-A108 VanDerWaalsContact O-N 3.08Å; A108-S112 WeakPolarHBondContact CA-OG 3.32Å; A108-S112 WeakPolarHBondContact CB-OG 3.45Å; A108-L113 HydrophobicContact CB-CD1 4.33Å; A108-L113 HydrophobicContact CB-CD2 3.59Å; A108-L113 HydrophobicContact CB-CG 3.64Å | ||
| 109 | T | 85.7 | Confident | 84.8 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | trans | -68.4 | 160.2 | 168.7 | 57 | 0 | 0 | 0 | 0 | 111.3 | R111 S112 L113 | T109-R111 VanDerWaalsContact C-N 3.26Å; T109-R111 PolarHBondContact O-N 3.42Å; T109-S112 PolarHBondContact N-OG 3.42Å; T109-S112 PolarHBondContact O-N 3.22Å; T109-S112 VanDerWaalsContact O-N 3.11Å; T109-S112 PolarHBondContact O-OG 3.22Å; T109-S112 WeakPolarHBondContact OG1-CB 3.34Å; T109-S112 PolarHBondContact OG1-N 3.06Å; T109-S112 PolarHBondContact OG1-OG 2.93Å; T109-L113 WeakPolarHBondContact O-CG 3.28Å; T109-L113 PolarHBondContact O-N 3.33Å | ||
| 110 | D | 86.4 | Confident | 85.1 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.2 | -43.7 | 174.3 | 64.2 | -29 | 0 | 0 | 0 | 112.2 | L113 Y114 I139 N140 I146 | D110-L113 PolarHBondContact O-N 3.12Å; D110-Y114 WeakPolarHBondContact O-CB 3.39Å; D110-Y114 PolarHBondContact O-N 3.23Å; D110-I139 HydrophobicContact CB-CB 4.12Å; D110-I139 HydrophobicContact CB-CG2 3.87Å; D110-N140 HydrophobicContact CB-CB 4.06Å; D110-N140 WeakPolarHBondContact OD2-CB 3.38Å; D110-N140 PolarHBondContact OD2-ND2 3.28Å; D110-I146 HydrophobicContact CB-CD1 4.38Å |
| 111 | R | 85.2 | Confident | 85.6 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 175 | -75.4 | -167 | 175.9 | 162 | 0.9 | 113.7 | E70 T109 L113 Y114 F115 | E70-R111 IonicContact OE1-NH1 3.27Å; E70-R111 PolarHBondContact OE1-NH1 3.08Å; E70-R111 VanDerWaalsContact OE1-NH1 3.16Å; T109-R111 VanDerWaalsContact C-N 3.26Å; T109-R111 PolarHBondContact O-N 3.42Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 3.46Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 2.92Å; R111-F115 HydrophobicContact CB-CD2 4.49Å; R111-F115 HydrophobicContact CB-CE2 4.13Å; R111-F115 WeakPolarHBondContact O-CD2 3.34Å; R111-F115 WeakPolarHBondContact O-CG 3.32Å; R111-F115 PolarHBondContact O-N 3.24Å |
| 112 | S | 87.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 178.9 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | E70 A108 T109 S116 | E70-S112 VanDerWaalsContact O-CA 3.27Å; E70-S112 WeakPolarHBondContact O-CA 3.39Å; E70-S112 WeakPolarHBondContact O-CB 3.08Å; A108-S112 WeakPolarHBondContact CA-OG 3.32Å; A108-S112 WeakPolarHBondContact CB-OG 3.45Å; T109-S112 PolarHBondContact N-OG 3.42Å; T109-S112 PolarHBondContact O-N 3.22Å; T109-S112 VanDerWaalsContact O-N 3.11Å; T109-S112 PolarHBondContact O-OG 3.22Å; T109-S112 WeakPolarHBondContact OG1-CB 3.34Å; T109-S112 PolarHBondContact OG1-N 3.06Å; T109-S112 PolarHBondContact OG1-OG 2.93Å; S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.38Å; S112-S116 PolarHBondContact O-N 3.49Å; S112-S116 VanDerWaalsContact O-N 3.07Å; S112-S116 PolarHBondContact O-OG 3.43Å |
| 113 | L | 89.2 | Confident | 86 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 172.4 | -68.9 | 174.2 | 0 | 0 | 0 | 111.6 | L73 A108 T109 D110 R111 S116 A117 Y132 K135 A136 I139 | L73-L113 HydrophobicContact CD2-CD2 4.06Å; A108-L113 HydrophobicContact CB-CD1 4.33Å; A108-L113 HydrophobicContact CB-CD2 3.59Å; A108-L113 HydrophobicContact CB-CG 3.64Å; T109-L113 WeakPolarHBondContact O-CG 3.28Å; T109-L113 PolarHBondContact O-N 3.33Å; D110-L113 PolarHBondContact O-N 3.12Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 3.46Å; L113-S116 PolarHBondContact O-N 2.89Å; L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.39Å; L113-Y132 HydrophobicContact CD2-CD1 3.69Å; L113-Y132 HydrophobicContact CD2-CE1 4.32Å; L113-K135 HydrophobicContact CD1-CB 3.91Å; L113-A136 HydrophobicContact CB-CB 3.73Å; L113-A136 HydrophobicContact CD1-CB 4.47Å; L113-I139 HydrophobicContact CD1-CD1 3.63Å |
| 114 | Y | 89.2 | Confident | 86.1 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 7% | 0.071 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -51.3 | 175.8 | 168.9 | -104.9 | 0 | 0 | 0 | 112.1 | D110 R111 S116 A117 L118 E145 I146 L149 | D110-Y114 WeakPolarHBondContact O-CB 3.39Å; D110-Y114 PolarHBondContact O-N 3.23Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 2.92Å; Y114-S116 VanDerWaalsContact C-N 3.28Å; Y114-S116 PolarHBondContact O-N 3.45Å; Y114-A117 PolarHBondContact O-N 3.25Å; Y114-L118 WeakPolarHBondContact O-CB 3.45Å; Y114-L118 PolarHBondContact O-N 3.08Å; Y114-E145 HydrophobicContact CE1-CB 4.4Å; Y114-E145 HydrophobicContact CE2-CB 3.84Å; Y114-I146 HydrophobicContact CD2-CG1 3.79Å; Y114-I146 HydrophobicContact CG-CG1 4.18Å; Y114-L149 HydrophobicContact CD2-CB 4.49Å; Y114-L149 HydrophobicContact CD2-CD2 3.75Å; Y114-L149 HydrophobicContact CE2-CB 4.02Å; Y114-L149 HydrophobicContact CE2-CD2 3.79Å |
| 115 | F | 89.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.9 | -64.7 | -47.2 | 0 | 0 | 0 | 111.7 | F40 L43 E70 F71 A74 R111 L118 V119 | F40-F115 AromaticContact CD2-CD1 3.9Å; F40-F115 HydrophobicContact CD2-CD1 3.9Å; F40-F115 AromaticContact CD2-CE1 3.35Å; F40-F115 HydrophobicContact CD2-CE1 3.35Å; F40-F115 HydrophobicContact CD2-CZ 4.03Å; F40-F115 AromaticContact CE2-CD1 3.75Å; F40-F115 HydrophobicContact CE2-CD1 3.75Å; F40-F115 AromaticContact CE2-CE1 3.36Å; F40-F115 HydrophobicContact CE2-CE1 3.36Å; F40-F115 HydrophobicContact CE2-CZ 4.42Å; F40-F115 HydrophobicContact CG-CE1 4.3Å; F40-F115 HydrophobicContact CZ-CE1 4.29Å; L43-F115 HydrophobicContact CD2-CB 4.04Å; L43-F115 HydrophobicContact CD2-CD1 4.13Å; L43-F115 HydrophobicContact CD2-CG 4.22Å; E70-F115 HydrophobicContact CB-CE2 4.4Å; F71-F115 AromaticContact CD1-CD2 3.91Å; F71-F115 HydrophobicContact CD1-CD2 3.91Å; F71-F115 HydrophobicContact CD1-CE2 4.25Å; F71-F115 HydrophobicContact CD1-CG 4.25Å; F71-F115 HydrophobicContact CE1-CD1 4.29Å; F71-F115 AromaticContact CE1-CD2 3.64Å; F71-F115 HydrophobicContact CE1-CD2 3.64Å; F71-F115 HydrophobicContact CE1-CE1 4.24Å; F71-F115 AromaticContact CE1-CE2 3.56Å; F71-F115 HydrophobicContact CE1-CE2 3.56Å; F71-F115 HydrophobicContact CE1-CG 4.02Å; F71-F115 AromaticContact CE1-CZ 3.88Å; F71-F115 HydrophobicContact CE1-CZ 3.88Å; F71-F115 HydrophobicContact CZ-CD2 4.25Å; F71-F115 AromaticContact CZ-CE2 3.74Å; F71-F115 HydrophobicContact CZ-CE2 3.74Å; F71-F115 HydrophobicContact CZ-CZ 4.05Å; A74-F115 HydrophobicContact CB-CB 4.13Å; R111-F115 HydrophobicContact CB-CD2 4.49Å; R111-F115 HydrophobicContact CB-CE2 4.13Å; R111-F115 WeakPolarHBondContact O-CD2 3.34Å; R111-F115 WeakPolarHBondContact O-CG 3.32Å; R111-F115 PolarHBondContact O-N 3.24Å; F115-L118 PolarHBondContact O-N 2.81Å; F115-V119 VanDerWaalsContact O-CG2 3.29Å; F115-V119 WeakPolarHBondContact O-CG2 3.49Å; F115-V119 PolarHBondContact O-N 3.44Å |
| 116 | S | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L73 A74 S112 L113 Y114 L118 V119 L120 | L73-S116 WeakPolarHBondContact CB-OG 3.26Å; L73-S116 WeakPolarHBondContact CD2-OG 3.35Å; L73-S116 WeakPolarHBondContact CG-OG 3.47Å; A74-S116 PolarHBondContact N-OG 3.01Å; S112-S116 VanDerWaalsContact O-CB 3.31Å; S112-S116 WeakPolarHBondContact O-CB 3.38Å; S112-S116 PolarHBondContact O-N 3.49Å; S112-S116 VanDerWaalsContact O-N 3.07Å; S112-S116 PolarHBondContact O-OG 3.43Å; L113-S116 PolarHBondContact O-N 2.89Å; Y114-S116 VanDerWaalsContact C-N 3.28Å; Y114-S116 PolarHBondContact O-N 3.45Å; S116-L118 VanDerWaalsContact C-N 3.33Å; S116-V119 PolarHBondContact O-N 3.08Å; S116-L120 WeakPolarHBondContact O-CB 3.42Å; S116-L120 WeakPolarHBondContact O-CD1 3.29Å; S116-L120 VanDerWaalsContact O-CG 3.28Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.46Å |
| 117 | A | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L113 Y114 L120 F121 A129 L149 | L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.39Å; Y114-A117 PolarHBondContact O-N 3.25Å; A117-L120 PolarHBondContact O-N 3.1Å; A117-F121 VanDerWaalsContact O-CB 3.25Å; A117-F121 WeakPolarHBondContact O-CB 3.46Å; A117-F121 PolarHBondContact O-N 3.08Å; A117-A129 WeakPolarHBondContact O-CB 3.48Å; A117-L149 HydrophobicContact CB-CD2 3.64Å |
| 118 | L | 88.7 | Confident | 87.2 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.5 | -172.4 | 118.7 | 0 | 0 | 0 | 112 | F13 L44 I47 Y114 F115 S116 F121 F122 L149 | F13-L118 HydrophobicContact CE1-CD1 3.91Å; F13-L118 HydrophobicContact CE1-CD2 4.49Å; F13-L118 HydrophobicContact CZ-CD1 4.08Å; L44-L118 HydrophobicContact CD2-CD2 3.77Å; I47-L118 HydrophobicContact CD1-CD2 4.16Å; Y114-L118 WeakPolarHBondContact O-CB 3.45Å; Y114-L118 PolarHBondContact O-N 3.08Å; F115-L118 PolarHBondContact O-N 2.81Å; S116-L118 VanDerWaalsContact C-N 3.33Å; L118-F121 WeakPolarHBondContact O-CB 3.5Å; L118-F121 PolarHBondContact O-N 2.96Å; L118-F122 HydrophobicContact CD1-CE2 4.1Å; L118-F122 HydrophobicContact CD2-CD2 4.08Å; L118-F122 HydrophobicContact CD2-CE2 3.86Å; L118-F122 HydrophobicContact CG-CD2 3.99Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.08Å; L118-L149 HydrophobicContact CB-CD2 4.38Å |
| 119 | V | 88.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 173.4 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L43 I47 A74 S78 F115 S116 F121 F122 F123 | L43-V119 HydrophobicContact CD1-CG2 4.22Å; L43-V119 HydrophobicContact CD2-CG2 4.44Å; I47-V119 HydrophobicContact CD1-CG2 3.83Å; I47-V119 HydrophobicContact CG1-CG2 4.24Å; A74-V119 HydrophobicContact CB-CG2 3.94Å; S78-V119 WeakPolarHBondContact OG-CG1 3.32Å; F115-V119 VanDerWaalsContact O-CG2 3.29Å; F115-V119 WeakPolarHBondContact O-CG2 3.49Å; F115-V119 PolarHBondContact O-N 3.44Å; S116-V119 PolarHBondContact O-N 3.08Å; V119-F121 VanDerWaalsContact C-N 3.27Å; V119-F121 PolarHBondContact O-N 2.97Å; V119-F122 PolarHBondContact O-N 3.18Å; V119-F123 HydrophobicContact CG1-CD2 3.56Å; V119-F123 HydrophobicContact CG1-CE2 3.27Å; V119-F123 HydrophobicContact CG1-CG 4.5Å; V119-F123 HydrophobicContact CG1-CZ 4.03Å; V119-F123 WeakPolarHBondContact O-CG 2.95Å; V119-F123 PolarHBondContact O-N 3.16Å |
| 120 | L | 89.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -37.1 | 179 | -73.9 | 166.8 | 0 | 0 | 0 | 112.2 | I77 S116 A117 F123 K124 K125 K128 A129 Y132 | I77-L120 HydrophobicContact CD1-CD1 4.41Å; I77-L120 HydrophobicContact CG2-CD2 3.57Å; I77-L120 HydrophobicContact CG2-CG 3.94Å; S116-L120 WeakPolarHBondContact O-CB 3.42Å; S116-L120 WeakPolarHBondContact O-CD1 3.29Å; S116-L120 VanDerWaalsContact O-CG 3.28Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.46Å; A117-L120 PolarHBondContact O-N 3.1Å; L120-F123 CarbonylContact O-C 3.57Å; L120-F123 PolarHBondContact O-N 3.21Å; L120-K124 PolarHBondContact O-N 3.44Å; L120-K125 HydrophobicContact CD2-CB 4.04Å; L120-K125 HydrophobicContact CD2-CD 4.14Å; L120-K125 PolarHBondContact O-N 3.44Å; L120-K128 HydrophobicContact CD1-CB 3.91Å; L120-K128 HydrophobicContact CD2-CB 4.11Å; L120-K128 HydrophobicContact CD2-CD 4.44Å; L120-A129 HydrophobicContact CB-CB 3.77Å; L120-Y132 HydrophobicContact CD1-CD2 3.43Å; L120-Y132 VanDerWaalsContact CD1-CD2 3.43Å; L120-Y132 HydrophobicContact CD1-CE2 3.65Å; L120-Y132 HydrophobicContact CD1-CG 4.14Å |
| 121 | F | 89.2 | Confident | 87.5 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.4 | 175.7 | -97.9 | 0 | 0 | 0 | 111.5 | R17 A117 L118 V119 F123 K124 Y126 A129 L149 W152 I153 I156 | R17-F121 HydrophobicContact CG-CE1 4.02Å; R17-F121 HydrophobicContact CG-CZ 4.39Å; A117-F121 VanDerWaalsContact O-CB 3.25Å; A117-F121 WeakPolarHBondContact O-CB 3.46Å; A117-F121 PolarHBondContact O-N 3.08Å; L118-F121 WeakPolarHBondContact O-CB 3.5Å; L118-F121 PolarHBondContact O-N 2.96Å; V119-F121 VanDerWaalsContact C-N 3.27Å; V119-F121 PolarHBondContact O-N 2.97Å; F121-F123 VanDerWaalsContact C-N 3.34Å; F121-F123 PolarHBondContact O-N 3.27Å; F121-K124 PolarHBondContact O-N 2.95Å; F121-Y126 AromaticContact CD2-CD1 3.98Å; F121-Y126 HydrophobicContact CD2-CD1 3.98Å; F121-Y126 HydrophobicContact CD2-CE1 4.11Å; F121-Y126 HydrophobicContact CE2-CD1 4.34Å; F121-Y126 HydrophobicContact CE2-CE1 4.23Å; F121-A129 HydrophobicContact CB-CB 4.19Å; F121-L149 HydrophobicContact CB-CD1 4.21Å; F121-L149 HydrophobicContact CD1-CD1 4.36Å; F121-L149 HydrophobicContact CD2-CD1 4.41Å; F121-L149 HydrophobicContact CG-CD1 4.08Å; F121-W152 HydrophobicContact CE2-CB 4.08Å; F121-W152 HydrophobicContact CZ-CB 3.94Å; F121-I153 HydrophobicContact CD2-CG1 3.69Å; F121-I153 HydrophobicContact CE2-CG1 4.19Å; F121-I156 HydrophobicContact CE2-CD1 3.47Å; F121-I156 VanDerWaalsContact CE2-CD1 3.47Å; F121-I156 HydrophobicContact CZ-CD1 3.39Å |
| 122 | F | 86.6 | Confident | 87.7 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72 | -25.3 | 178.7 | -71.4 | -58.6 | 0 | 0 | 0 | 113.8 | F13 M16 R17 I47 L118 V119 K124 | F13-F122 HydrophobicContact CD1-CE2 4.1Å; F13-F122 AromaticContact CD1-CZ 3.82Å; F13-F122 HydrophobicContact CD1-CZ 3.82Å; F13-F122 HydrophobicContact CE1-CE2 4.33Å; F13-F122 HydrophobicContact CE1-CZ 4.48Å; M16-F122 HydrophobicContact CB-CD1 3.81Å; M16-F122 HydrophobicContact CB-CE1 3.38Å; M16-F122 HydrophobicContact CB-CZ 3.95Å; M16-F122 HydrophobicContact CE-CD2 4.37Å; M16-F122 HydrophobicContact CE-CE1 4.26Å; M16-F122 HydrophobicContact CE-CE2 3.7Å; M16-F122 HydrophobicContact CE-CZ 3.65Å; M16-F122 HydrophobicContact CG-CE1 4.42Å; M16-F122 HydrophobicContact SD-CD1 4.48Å; M16-F122 HydrophobicContact SD-CD2 4.36Å; M16-F122 HydrophobicContact SD-CE1 4.37Å; M16-F122 HydrophobicContact SD-CE2 4.24Å; M16-F122 HydrophobicContact SD-CG 4.49Å; M16-F122 HydrophobicContact SD-CZ 4.26Å; R17-F122 HydrophobicContact CG-CE1 4.08Å; I47-F122 HydrophobicContact CD1-CD2 4.49Å; I47-F122 HydrophobicContact CG2-CB 3.77Å; I47-F122 HydrophobicContact CG2-CD2 4.4Å; I47-F122 HydrophobicContact CG2-CG 4.29Å; L118-F122 HydrophobicContact CD1-CE2 4.1Å; L118-F122 HydrophobicContact CD2-CD2 4.08Å; L118-F122 HydrophobicContact CD2-CE2 3.86Å; L118-F122 HydrophobicContact CG-CD2 3.99Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 WeakPolarHBondContact O-CD2 3.43Å; L118-F122 PolarHBondContact O-N 2.91Å; L118-F122 VanDerWaalsContact O-N 3.08Å; V119-F122 PolarHBondContact O-N 3.18Å; F122-K124 PolarHBondContact O-N 3.17Å |
| 123 | F | 86.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 12.8 | 167.7 | -63.6 | -22.3 | 0 | 0 | 0 | 113.7 | I47 V50 F62 Y81 V119 L120 F121 K125 | I47-F123 HydrophobicContact CG2-CE1 4.37Å; V50-F123 HydrophobicContact CB-CE1 3.88Å; V50-F123 HydrophobicContact CB-CZ 4.38Å; V50-F123 HydrophobicContact CG1-CD1 4.43Å; V50-F123 HydrophobicContact CG1-CE1 3.71Å; V50-F123 HydrophobicContact CG1-CZ 4.29Å; V50-F123 HydrophobicContact CG2-CE1 4.06Å; V50-F123 HydrophobicContact CG2-CZ 4.04Å; F62-F123 HydrophobicContact CE2-CZ 4.49Å; F62-F123 HydrophobicContact CZ-CZ 4.2Å; Y81-F123 HydrophobicContact CD1-CB 4.19Å; Y81-F123 AromaticContact CD1-CD1 3.97Å; Y81-F123 HydrophobicContact CD1-CD1 3.97Å; Y81-F123 AromaticContact CD1-CD2 3.53Å; Y81-F123 HydrophobicContact CD1-CD2 3.53Å; Y81-F123 HydrophobicContact CD1-CE1 4.21Å; Y81-F123 AromaticContact CD1-CE2 3.79Å; Y81-F123 HydrophobicContact CD1-CE2 3.79Å; Y81-F123 AromaticContact CD1-CG 3.63Å; Y81-F123 HydrophobicContact CD1-CG 3.63Å; Y81-F123 HydrophobicContact CD1-CZ 4.12Å; Y81-F123 HydrophobicContact CE1-CB 3.97Å; Y81-F123 AromaticContact CE1-CD1 3.84Å; Y81-F123 HydrophobicContact CE1-CD1 3.84Å; Y81-F123 HydrophobicContact CE1-CD2 4.12Å; Y81-F123 HydrophobicContact CE1-CE1 4.36Å; Y81-F123 AromaticContact CE1-CG 3.72Å; Y81-F123 HydrophobicContact CE1-CG 3.72Å; Y81-F123 HydrophobicContact CE2-CB 4.5Å; Y81-F123 AromaticContact CG-CD2 3.86Å; Y81-F123 HydrophobicContact CG-CD2 3.86Å; Y81-F123 HydrophobicContact CG-CE2 4.28Å; Y81-F123 HydrophobicContact CG-CG 4.25Å; V119-F123 HydrophobicContact CG1-CD2 3.56Å; V119-F123 HydrophobicContact CG1-CE2 3.27Å; V119-F123 HydrophobicContact CG1-CG 4.5Å; V119-F123 HydrophobicContact CG1-CZ 4.03Å; V119-F123 WeakPolarHBondContact O-CG 2.95Å; V119-F123 PolarHBondContact O-N 3.16Å; L120-F123 CarbonylContact O-C 3.57Å; L120-F123 PolarHBondContact O-N 3.21Å; F121-F123 VanDerWaalsContact C-N 3.34Å; F121-F123 PolarHBondContact O-N 3.27Å; F123-K125 PolarHBondContact O-N 3.17Å; F123-K125 VanDerWaalsContact O-N 3.14Å |
| 124 | K | 84.1 | Confident | 87.5 | Confident | 159 Ų | 159 | 40.2 Ų | 40.2 | 69% | 0.691 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 21.6 | 176.4 | -52.7 | -177.1 | 177.7 | -177.7 | 0 | 114.5 | L120 F121 F122 Y126 | L120-K124 PolarHBondContact O-N 3.44Å; F121-K124 PolarHBondContact O-N 2.95Å; F122-K124 PolarHBondContact O-N 3.17Å; K124-Y126 HydrophobicContact CB-CE2 4.25Å; K124-Y126 PolarHBondContact O-N 3.05Å |
| 125 | K | 86.9 | Confident | 87.4 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 27% | 0.27 | 20% | 0.195 | S | C | . | . | trans | -95.5 | 66.8 | 174.7 | -66.4 | -171.7 | -179.8 | -177.9 | 0 | 110.1 | Y81 L120 F123 D127 K128 A129 | Y81-K125 VanDerWaalsContact CD2-CE 3.44Å; Y81-K125 VanDerWaalsContact CD2-NZ 3.27Å; Y81-K125 VanDerWaalsContact CE2-CE 3.5Å; L120-K125 HydrophobicContact CD2-CB 4.04Å; L120-K125 HydrophobicContact CD2-CD 4.14Å; L120-K125 PolarHBondContact O-N 3.44Å; F123-K125 PolarHBondContact O-N 3.17Å; F123-K125 VanDerWaalsContact O-N 3.14Å; K125-D127 PolarHBondContact O-N 3.18Å; K125-K128 HydrophobicContact CB-CB 4.5Å; K125-K128 PolarHBondContact O-N 3.45Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 3.5Å | ||
| 126 | Y | 87 | Confident | 87.3 | Confident | 66 Ų | 66 | 43 Ų | 43 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.5 | -39.4 | -169.8 | -51.9 | -59.7 | 0 | 0 | 0 | 114 | F121 K124 K128 A129 R130 I156 | F121-Y126 AromaticContact CD2-CD1 3.98Å; F121-Y126 HydrophobicContact CD2-CD1 3.98Å; F121-Y126 HydrophobicContact CD2-CE1 4.11Å; F121-Y126 HydrophobicContact CE2-CD1 4.34Å; F121-Y126 HydrophobicContact CE2-CE1 4.23Å; K124-Y126 HydrophobicContact CB-CE2 4.25Å; K124-Y126 PolarHBondContact O-N 3.05Å; Y126-K128 PolarHBondContact O-N 2.89Å; Y126-A129 WeakPolarHBondContact O-CB 3.48Å; Y126-A129 PolarHBondContact O-N 2.65Å; Y126-R130 WeakPolarHBondContact O-CB 3.45Å; Y126-R130 PolarHBondContact O-N 3.01Å; Y126-I156 HydrophobicContact CD1-CG2 4.04Å; Y126-I156 HydrophobicContact CD2-CG2 3.98Å; Y126-I156 HydrophobicContact CE1-CG2 3.66Å; Y126-I156 HydrophobicContact CE2-CG2 3.57Å; Y126-I156 HydrophobicContact CG-CG2 4.19Å |
| 127 | D | 84.6 | Confident | 87 | Confident | 126 Ų | 126 | 44.7 Ų | 44.7 | 67% | 0.674 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.9 | -46.8 | 179.1 | -59.7 | -39 | 0 | 0 | 0 | 111.6 | K125 R130 E131 | K125-D127 PolarHBondContact O-N 3.18Å; D127-R130 WeakPolarHBondContact O-CB 3.21Å; D127-R130 PolarHBondContact O-N 2.88Å; D127-E131 PolarHBondContact O-N 3.01Å |
| 128 | K | 85.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 52.8 Ų | 52.8 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -47 | 174.2 | -68.5 | -172 | 177.6 | -174.6 | 0 | 109.4 | L120 K125 Y126 R130 E131 Y132 | L120-K128 HydrophobicContact CD1-CB 3.91Å; L120-K128 HydrophobicContact CD2-CB 4.11Å; L120-K128 HydrophobicContact CD2-CD 4.44Å; K125-K128 HydrophobicContact CB-CB 4.5Å; K125-K128 PolarHBondContact O-N 3.45Å; Y126-K128 PolarHBondContact O-N 2.89Å; K128-R130 PolarHBondContact O-N 3.4Å; K128-E131 WeakPolarHBondContact O-CB 3.47Å; K128-E131 PolarHBondContact O-N 3.31Å; K128-Y132 VanDerWaalsContact O-CD2 3.25Å; K128-Y132 WeakPolarHBondContact O-CD2 3.46Å; K128-Y132 PolarHBondContact O-N 3.09Å |
| 129 | A | 87.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.2 | -43.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | A117 L120 F121 K125 Y126 E131 Y132 S133 I153 | A117-A129 WeakPolarHBondContact O-CB 3.48Å; L120-A129 HydrophobicContact CB-CB 3.77Å; F121-A129 HydrophobicContact CB-CB 4.19Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 3.5Å; Y126-A129 WeakPolarHBondContact O-CB 3.48Å; Y126-A129 PolarHBondContact O-N 2.65Å; A129-E131 PolarHBondContact O-N 2.99Å; A129-Y132 PolarHBondContact O-N 3.49Å; A129-S133 WeakPolarHBondContact O-CB 3.31Å; A129-S133 PolarHBondContact O-N 3.49Å; A129-S133 PolarHBondContact O-OG 3.31Å; A129-S133 VanDerWaalsContact O-OG 3.1Å; A129-I153 HydrophobicContact CB-CD1 3.96Å; A129-I153 HydrophobicContact CB-CG1 4.39Å |
| 130 | R | 85.8 | Confident | 86.4 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 176 | -172.9 | 176.4 | 171.6 | 175.3 | -2.2 | 112.5 | Y126 D127 K128 Y132 S133 E134 I153 D159 F162 | Y126-R130 WeakPolarHBondContact O-CB 3.45Å; Y126-R130 PolarHBondContact O-N 3.01Å; D127-R130 WeakPolarHBondContact O-CB 3.21Å; D127-R130 PolarHBondContact O-N 2.88Å; K128-R130 PolarHBondContact O-N 3.4Å; R130-Y132 VanDerWaalsContact C-N 3.3Å; R130-Y132 PolarHBondContact O-N 3.41Å; R130-S133 WeakPolarHBondContact CA-OG 3.37Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 2.91Å; R130-S133 VanDerWaalsContact O-OG 3.05Å; R130-E134 HydrophobicContact CG-CG 4.26Å; R130-E134 WeakPolarHBondContact CG-OE1 3.4Å; R130-E134 IonicContact CZ-OE1 3.39Å; R130-E134 IonicContact NE-OE1 3.67Å; R130-E134 PolarHBondContact NE-OE1 2.97Å; R130-E134 IonicContact NH2-OE1 3.28Å; R130-E134 VanDerWaalsContact O-CB 3.31Å; R130-E134 WeakPolarHBondContact O-CB 3.44Å; R130-E134 WeakPolarHBondContact O-CG 3.44Å; R130-E134 PolarHBondContact O-N 3.26Å; R130-I153 HydrophobicContact CB-CG2 3.85Å; R130-I153 HydrophobicContact CG-CG2 4.31Å; R130-D159 IonicContact NH1-OD2 3.78Å; R130-F162 HydrophobicContact CG-CZ 4.32Å; R130-F162 VanDerWaalsContact NH2-CD2 3.25Å |
| 131 | E | 86.5 | Confident | 85.9 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.9 | -68.2 | -173.8 | 180 | 0 | 0 | 112.7 | R105 D127 K128 A129 K135 | R105-E131 IonicContact CZ-OE2 3.96Å; R105-E131 IonicContact NH1-OE2 2.77Å; R105-E131 IonicContact NH2-OE2 2.9Å; R105-E131 PolarHBondContact NH2-OE2 3.12Å; D127-E131 PolarHBondContact O-N 3.01Å; K128-E131 WeakPolarHBondContact O-CB 3.47Å; K128-E131 PolarHBondContact O-N 3.31Å; A129-E131 PolarHBondContact O-N 2.99Å; E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 VanDerWaalsContact O-CG 3.24Å; E131-K135 WeakPolarHBondContact O-CG 3.44Å; E131-K135 PolarHBondContact O-N 3.3Å |
| 132 | Y | 88.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.5 | -40.4 | 179.8 | -77.7 | -95.2 | 0 | 0 | 0 | 111.3 | L73 I77 R105 L113 L120 K128 A129 R130 K135 A136 | L73-Y132 HydrophobicContact CD2-CD1 4.35Å; L73-Y132 HydrophobicContact CD2-CE1 4Å; L73-Y132 HydrophobicContact CG-CE1 4.48Å; I77-Y132 HydrophobicContact CD1-CE1 4.12Å; R105-Y132 WeakPolarHBondContact CD-OH 3.08Å; R105-Y132 HydrophobicContact CG-CE1 3.95Å; L113-Y132 HydrophobicContact CD2-CD1 3.69Å; L113-Y132 HydrophobicContact CD2-CE1 4.32Å; L120-Y132 HydrophobicContact CD1-CD2 3.43Å; L120-Y132 VanDerWaalsContact CD1-CD2 3.43Å; L120-Y132 HydrophobicContact CD1-CE2 3.65Å; L120-Y132 HydrophobicContact CD1-CG 4.14Å; K128-Y132 VanDerWaalsContact O-CD2 3.25Å; K128-Y132 WeakPolarHBondContact O-CD2 3.46Å; K128-Y132 PolarHBondContact O-N 3.09Å; A129-Y132 PolarHBondContact O-N 3.49Å; R130-Y132 VanDerWaalsContact C-N 3.3Å; R130-Y132 PolarHBondContact O-N 3.41Å; Y132-K135 PolarHBondContact O-N 2.81Å; Y132-A136 WeakPolarHBondContact O-CB 3.47Å; Y132-A136 PolarHBondContact O-N 3.06Å |
| 133 | S | 87.2 | Confident | 85 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.3 | -37 | 179.3 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | A129 R130 A136 L137 N150 I153 | A129-S133 WeakPolarHBondContact O-CB 3.31Å; A129-S133 PolarHBondContact O-N 3.49Å; A129-S133 PolarHBondContact O-OG 3.31Å; A129-S133 VanDerWaalsContact O-OG 3.1Å; R130-S133 WeakPolarHBondContact CA-OG 3.37Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 2.91Å; R130-S133 VanDerWaalsContact O-OG 3.05Å; S133-A136 PolarHBondContact O-N 3.37Å; S133-L137 WeakPolarHBondContact O-CB 3.42Å; S133-L137 PolarHBondContact O-N 2.7Å; S133-N150 WeakPolarHBondContact CB-OD1 3.44Å; S133-N150 PolarHBondContact OG-OD1 2.85Å; S133-I153 WeakPolarHBondContact OG-CD1 3.34Å |
| 134 | E | 86 | Confident | 84.6 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 29% | 0.285 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 173.2 | -75.3 | -177.6 | -174.9 | 0 | 0 | 111.5 | R130 L137 K138 | R130-E134 HydrophobicContact CG-CG 4.26Å; R130-E134 WeakPolarHBondContact CG-OE1 3.4Å; R130-E134 IonicContact CZ-OE1 3.39Å; R130-E134 IonicContact NE-OE1 3.67Å; R130-E134 PolarHBondContact NE-OE1 2.97Å; R130-E134 IonicContact NH2-OE1 3.28Å; R130-E134 VanDerWaalsContact O-CB 3.31Å; R130-E134 WeakPolarHBondContact O-CB 3.44Å; R130-E134 WeakPolarHBondContact O-CG 3.44Å; R130-E134 PolarHBondContact O-N 3.26Å; E134-L137 PolarHBondContact O-N 3.17Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3.06Å |
| 135 | K | 87.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 172.4 | -74.9 | 177.8 | -174.9 | -175.5 | 0 | 111.6 | R105 L113 E131 Y132 K138 I139 | R105-K135 VanDerWaalsContact CZ-NZ 3.33Å; R105-K135 VanDerWaalsContact NH2-NZ 3.15Å; L113-K135 HydrophobicContact CD1-CB 3.91Å; E131-K135 WeakPolarHBondContact O-CB 3.26Å; E131-K135 VanDerWaalsContact O-CG 3.24Å; E131-K135 WeakPolarHBondContact O-CG 3.44Å; E131-K135 PolarHBondContact O-N 3.3Å; Y132-K135 PolarHBondContact O-N 2.81Å; K135-K138 PolarHBondContact O-N 2.88Å; K135-I139 WeakPolarHBondContact O-CG1 3.12Å; K135-I139 PolarHBondContact O-N 2.92Å |
| 136 | A | 86.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L113 Y132 S133 K138 I139 N140 I146 | L113-A136 HydrophobicContact CB-CB 3.73Å; L113-A136 HydrophobicContact CD1-CB 4.47Å; Y132-A136 WeakPolarHBondContact O-CB 3.47Å; Y132-A136 PolarHBondContact O-N 3.06Å; S133-A136 PolarHBondContact O-N 3.37Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 2.94Å; A136-I139 PolarHBondContact O-N 2.87Å; A136-I139 VanDerWaalsContact O-N 3.13Å; A136-N140 PolarHBondContact O-N 3.34Å; A136-I146 HydrophobicContact CB-CD1 3.76Å; A136-I146 HydrophobicContact CB-CG1 4.27Å; A136-I146 HydrophobicContact CB-CG2 4.07Å |
| 137 | L | 85 | Confident | 84 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -35.9 | 178.6 | -167.3 | 106.5 | 0 | 0 | 0 | 112.4 | S133 E134 I139 N140 P141 I146 L147 N150 | S133-L137 WeakPolarHBondContact O-CB 3.42Å; S133-L137 PolarHBondContact O-N 2.7Å; E134-L137 PolarHBondContact O-N 3.17Å; L137-I139 PolarHBondContact O-N 3.26Å; L137-N140 CarbonylContact O-C 3.37Å; L137-N140 VanDerWaalsContact O-C 3.26Å; L137-N140 PolarHBondContact O-N 2.87Å; L137-P141 VanDerWaalsContact O-CA 3.31Å; L137-P141 WeakPolarHBondContact O-CA 3.33Å; L137-P141 VanDerWaalsContact O-N 3.13Å; L137-I146 HydrophobicContact CB-CG2 3.87Å; L137-I146 HydrophobicContact CD1-CG2 3.97Å; L137-L147 HydrophobicContact CD1-CD2 3.54Å; L137-L147 HydrophobicContact CD1-CG 3.99Å; L137-N150 WeakPolarHBondContact CD1-ND2 3.37Å |
| 138 | K | 85.7 | Confident | 84 | Confident | 169 Ų | 169 | 60.3 Ų | 60.3 | 74% | 0.735 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.5 | -30.1 | 174 | -75.4 | 174.3 | -176.3 | 175.3 | 0 | 112.8 | E134 K135 A136 | E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3.06Å; K135-K138 PolarHBondContact O-N 2.88Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 2.94Å |
| 139 | I | 85.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -80.7 | -43.5 | 176.9 | -60.3 | 171.1 | 0 | 0 | 0 | 110.3 | D110 L113 K135 A136 L137 | D110-I139 HydrophobicContact CB-CB 4.12Å; D110-I139 HydrophobicContact CB-CG2 3.87Å; L113-I139 HydrophobicContact CD1-CD1 3.63Å; K135-I139 WeakPolarHBondContact O-CG1 3.12Å; K135-I139 PolarHBondContact O-N 2.92Å; A136-I139 PolarHBondContact O-N 2.87Å; A136-I139 VanDerWaalsContact O-N 3.13Å; L137-I139 PolarHBondContact O-N 3.26Å |
| 140 | N | 83.2 | Confident | 83.9 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | trans | -134 | 86.7 | -177.5 | -169.9 | -6.4 | 0 | 0 | 0 | 111.8 | D110 A136 L137 R142 S143 | D110-N140 HydrophobicContact CB-CB 4.06Å; D110-N140 WeakPolarHBondContact OD2-CB 3.38Å; D110-N140 PolarHBondContact OD2-ND2 3.28Å; A136-N140 PolarHBondContact O-N 3.34Å; L137-N140 CarbonylContact O-C 3.37Å; L137-N140 VanDerWaalsContact O-C 3.26Å; L137-N140 PolarHBondContact O-N 2.87Å; N140-R142 PolarHBondContact O-N 3.41Å; N140-R142 PolarHBondContact OD1-N 2.88Å; N140-S143 PolarHBondContact O-N 2.91Å; N140-S143 PolarHBondContact OD1-N 3.31Å | ||
| 141 | P | 79.2 | Confident | 83.8 | Confident | 82 Ų | 82 | 53 Ų | 53 | 53% | 0.532 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.2 | -175 | 26.3 | -34 | 0 | 0 | 0 | 114.1 | L137 | L137-P141 VanDerWaalsContact O-CA 3.31Å; L137-P141 WeakPolarHBondContact O-CA 3.33Å; L137-P141 VanDerWaalsContact O-N 3.13Å |
| 142 | R | 75.6 | Confident | 83.8 | Confident | 224 Ų | 224 | 49.3 Ų | 49.3 | 85% | 0.845 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -1.1 | -178.1 | -73.9 | -173.6 | 173.6 | 176.9 | -1.9 | 114.3 | N140 K144 | N140-R142 PolarHBondContact O-N 3.41Å; N140-R142 PolarHBondContact OD1-N 2.88Å; R142-K144 PolarHBondContact O-N 3.49Å |
| 143 | S | 79.7 | Confident | 83.6 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | trans | -66.2 | 120.1 | 177.7 | 165.3 | 0 | 0 | 0 | 0 | 110.3 | N140 E145 I146 L147 | N140-S143 PolarHBondContact O-N 2.91Å; N140-S143 PolarHBondContact OD1-N 3.31Å; S143-E145 PolarHBondContact O-N 2.86Å; S143-E145 PolarHBondContact OG-N 3.08Å; S143-E145 PolarHBondContact OG-OE2 2.87Å; S143-I146 WeakPolarHBondContact OG-CG1 3.26Å; S143-I146 PolarHBondContact OG-N 3.47Å; S143-L147 WeakPolarHBondContact O-CG 3.28Å; S143-L147 PolarHBondContact O-N 3.24Å; S143-L147 VanDerWaalsContact O-N 3.16Å | ||
| 144 | K | 77.5 | Confident | 83.3 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 179.6 | -52.6 | -165.7 | 174.8 | 178.3 | 0 | 110.5 | R142 C148 T180 R185 | R142-K144 PolarHBondContact O-N 3.49Å; K144-C148 PolarHBondContact O-N 2.9Å; K144-C148 PolarHBondContact O-SG 2.93Å; K144-T180 PolarHBondContact NZ-OG1 2.96Å; K144-R185 VanDerWaalsContact CG-NH2 3.26Å |
| 145 | E | 79.1 | Confident | 83.1 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.8 | -45 | -177.3 | -54 | 81.1 | -174.3 | 0 | 0 | 112.1 | H3 Y114 S143 C148 L149 | H3-E145 IonicContact CE1-OE1 3.67Å; H3-E145 PolarHBondContact CE1-OE1 3.25Å; H3-E145 VanDerWaalsContact CE1-OE1 3.23Å; H3-E145 IonicContact NE2-OE1 2.75Å; Y114-E145 HydrophobicContact CE1-CB 4.4Å; Y114-E145 HydrophobicContact CE2-CB 3.84Å; S143-E145 PolarHBondContact O-N 2.86Å; S143-E145 PolarHBondContact OG-N 3.08Å; S143-E145 PolarHBondContact OG-OE2 2.87Å; E145-C148 PolarHBondContact O-N 3.36Å; E145-L149 WeakPolarHBondContact O-CB 3.2Å; E145-L149 PolarHBondContact O-N 2.7Å |
| 146 | I | 83.9 | Confident | 82.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 178.8 | -61.9 | 170.2 | 0 | 0 | 0 | 110.4 | D110 Y114 A136 L137 S143 L149 N150 | D110-I146 HydrophobicContact CB-CD1 4.38Å; Y114-I146 HydrophobicContact CD2-CG1 3.79Å; Y114-I146 HydrophobicContact CG-CG1 4.18Å; A136-I146 HydrophobicContact CB-CD1 3.76Å; A136-I146 HydrophobicContact CB-CG1 4.27Å; A136-I146 HydrophobicContact CB-CG2 4.07Å; L137-I146 HydrophobicContact CB-CG2 3.87Å; L137-I146 HydrophobicContact CD1-CG2 3.97Å; S143-I146 WeakPolarHBondContact OG-CG1 3.26Å; S143-I146 PolarHBondContact OG-N 3.47Å; I146-L149 PolarHBondContact O-N 3.28Å; I146-N150 WeakPolarHBondContact O-CB 3.3Å; I146-N150 PolarHBondContact O-N 2.93Å; I146-N150 PolarHBondContact O-ND2 3.31Å |
| 147 | L | 83.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 173.7 | -75.5 | 167.5 | 0 | 0 | 0 | 111 | L137 S143 L149 N150 G151 Y169 | L137-L147 HydrophobicContact CD1-CD2 3.54Å; L137-L147 HydrophobicContact CD1-CG 3.99Å; S143-L147 WeakPolarHBondContact O-CG 3.28Å; S143-L147 PolarHBondContact O-N 3.24Å; S143-L147 VanDerWaalsContact O-N 3.16Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 2.95Å; L147-N150 PolarHBondContact O-N 3.35Å; L147-G151 PolarHBondContact O-N 3.3Å; L147-Y169 HydrophobicContact CD2-CD1 3.68Å; L147-Y169 HydrophobicContact CD2-CE1 4.45Å; L147-Y169 WeakPolarHBondContact O-CB 3.43Å |
| 148 | C | 83.6 | Confident | 81.2 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 112.4 | K144 E145 G151 W152 R185 | K144-C148 PolarHBondContact O-N 2.9Å; K144-C148 PolarHBondContact O-SG 2.93Å; E145-C148 PolarHBondContact O-N 3.36Å; C148-G151 CarbonylContact O-C 3.56Å; C148-G151 WeakPolarHBondContact O-CA 3.46Å; C148-G151 PolarHBondContact O-N 3.28Å; C148-W152 PolarHBondContact O-N 3Å; C148-R185 WeakPolarHBondContact SG-CG 3.05Å |
| 149 | L | 85.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 178.8 | -177.7 | 64.1 | 0 | 0 | 0 | 111.8 | Y114 A117 L118 F121 E145 I146 L147 G151 W152 I153 | Y114-L149 HydrophobicContact CD2-CB 4.49Å; Y114-L149 HydrophobicContact CD2-CD2 3.75Å; Y114-L149 HydrophobicContact CE2-CB 4.02Å; Y114-L149 HydrophobicContact CE2-CD2 3.79Å; A117-L149 HydrophobicContact CB-CD2 3.64Å; L118-L149 HydrophobicContact CB-CD2 4.38Å; F121-L149 HydrophobicContact CB-CD1 4.21Å; F121-L149 HydrophobicContact CD1-CD1 4.36Å; F121-L149 HydrophobicContact CD2-CD1 4.41Å; F121-L149 HydrophobicContact CG-CD1 4.08Å; E145-L149 WeakPolarHBondContact O-CB 3.2Å; E145-L149 PolarHBondContact O-N 2.7Å; I146-L149 PolarHBondContact O-N 3.28Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 2.95Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.4Å; L149-W152 PolarHBondContact O-N 2.94Å; L149-I153 HydrophobicContact CD1-CD1 4.3Å; L149-I153 HydrophobicContact CD1-CG1 4.46Å; L149-I153 HydrophobicContact CG-CD1 3.9Å; L149-I153 HydrophobicContact CG-CG1 4.5Å; L149-I153 WeakPolarHBondContact O-CB 3.5Å; L149-I153 WeakPolarHBondContact O-CD1 3.38Å; L149-I153 VanDerWaalsContact O-CG1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 3.43Å |
| 150 | N | 85.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -38 | 172.3 | -83.6 | -36.1 | 0 | 0 | 0 | 112 | S133 L137 I146 L147 G154 Y169 | S133-N150 WeakPolarHBondContact CB-OD1 3.44Å; S133-N150 PolarHBondContact OG-OD1 2.85Å; L137-N150 WeakPolarHBondContact CD1-ND2 3.37Å; I146-N150 WeakPolarHBondContact O-CB 3.3Å; I146-N150 PolarHBondContact O-N 2.93Å; I146-N150 PolarHBondContact O-ND2 3.31Å; L147-N150 PolarHBondContact O-N 3.35Å; N150-G154 PolarHBondContact O-N 3.33Å; N150-Y169 HydrophobicContact CB-CD2 4.05Å; N150-Y169 HydrophobicContact CB-CE2 4.11Å; N150-Y169 HydrophobicContact CB-CG 4.27Å |
| 151 | G | 84.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.3 | -53.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | L147 C148 L149 G154 L155 T166 F170 | L147-G151 PolarHBondContact O-N 3.3Å; C148-G151 CarbonylContact O-C 3.56Å; C148-G151 WeakPolarHBondContact O-CA 3.46Å; C148-G151 PolarHBondContact O-N 3.28Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.4Å; G151-G154 PolarHBondContact O-N 2.96Å; G151-L155 WeakPolarHBondContact O-CG 3.33Å; G151-L155 PolarHBondContact O-N 3.46Å; G151-L155 VanDerWaalsContact O-N 3.08Å; G151-T166 WeakPolarHBondContact O-CG2 3.47Å; G151-F170 VanDerWaalsContact C-CZ 3.42Å |
| 152 | W | 86.4 | Confident | 78.8 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 179.9 | -75.4 | 114.5 | 0 | 0 | 0 | 113.5 | F121 C148 L149 G154 L155 I156 E184 M187 K191 | F121-W152 HydrophobicContact CE2-CB 4.08Å; F121-W152 HydrophobicContact CZ-CB 3.94Å; C148-W152 PolarHBondContact O-N 3Å; L149-W152 PolarHBondContact O-N 2.94Å; W152-G154 PolarHBondContact O-N 3.27Å; W152-L155 HydrophobicContact CE3-CD1 4.3Å; W152-L155 HydrophobicContact CZ3-CD1 4.45Å; W152-L155 PolarHBondContact O-N 3.38Å; W152-I156 PolarHBondContact O-N 3.29Å; W152-E184 PolarHBondContact NE1-OE2 3.32Å; W152-M187 HydrophobicContact CH2-CB 4.41Å; W152-M187 HydrophobicContact CZ2-CB 3.98Å; W152-K191 HydrophobicContact CH2-CB 4.08Å; W152-K191 HydrophobicContact CZ3-CB 3.93Å; W152-K191 HydrophobicContact CZ3-CG 3.93Å |
| 153 | I | 85 | Confident | 78.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 173.4 | -68.1 | 163.9 | 0 | 0 | 0 | 109.6 | F121 A129 R130 S133 L149 L155 I156 C157 F162 | F121-I153 HydrophobicContact CD2-CG1 3.69Å; F121-I153 HydrophobicContact CE2-CG1 4.19Å; A129-I153 HydrophobicContact CB-CD1 3.96Å; A129-I153 HydrophobicContact CB-CG1 4.39Å; R130-I153 HydrophobicContact CB-CG2 3.85Å; R130-I153 HydrophobicContact CG-CG2 4.31Å; S133-I153 WeakPolarHBondContact OG-CD1 3.34Å; L149-I153 HydrophobicContact CD1-CD1 4.3Å; L149-I153 HydrophobicContact CD1-CG1 4.46Å; L149-I153 HydrophobicContact CG-CD1 3.9Å; L149-I153 HydrophobicContact CG-CG1 4.5Å; L149-I153 WeakPolarHBondContact O-CB 3.5Å; L149-I153 WeakPolarHBondContact O-CD1 3.38Å; L149-I153 VanDerWaalsContact O-CG1 3.23Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 3.43Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.82Å; I153-I156 PolarHBondContact O-N 2.96Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.3Å; I153-C157 PolarHBondContact O-SG 3.29Å; I153-C157 VanDerWaalsContact O-SG 3.39Å; I153-F162 HydrophobicContact CG2-CE1 4.34Å |
| 154 | G | 81.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.4 | -22.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116 | N150 G151 W152 Q163 | N150-G154 PolarHBondContact O-N 3.33Å; G151-G154 PolarHBondContact O-N 2.96Å; W152-G154 PolarHBondContact O-N 3.27Å; G154-Q163 VanDerWaalsContact O-CG 3.24Å; G154-Q163 WeakPolarHBondContact O-CG 3.29Å |
| 155 | L | 80.5 | Confident | 78.1 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.5 | -30.5 | 173.6 | -68.5 | 179.4 | 0 | 0 | 0 | 113.2 | G151 W152 I153 T166 F170 K191 Y192 | G151-L155 WeakPolarHBondContact O-CG 3.33Å; G151-L155 PolarHBondContact O-N 3.46Å; G151-L155 VanDerWaalsContact O-N 3.08Å; W152-L155 HydrophobicContact CE3-CD1 4.3Å; W152-L155 HydrophobicContact CZ3-CD1 4.45Å; W152-L155 PolarHBondContact O-N 3.38Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.82Å; L155-T166 HydrophobicContact CD2-CG2 4Å; L155-T166 HydrophobicContact CG-CG2 3.92Å; L155-F170 HydrophobicContact CD1-CE2 3.95Å; L155-F170 HydrophobicContact CD1-CZ 4.23Å; L155-F170 HydrophobicContact CG-CE2 4.36Å; L155-K191 HydrophobicContact CD1-CB 3.81Å; L155-K191 HydrophobicContact CD1-CG 3.94Å; L155-Y192 HydrophobicContact CD2-CD2 3.84Å; L155-Y192 HydrophobicContact CD2-CG 4.34Å |
| 156 | I | 78.4 | Confident | 77.9 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 33% | 0.328 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -88.8 | -28.1 | -176.6 | -69.3 | 160.8 | 0 | 0 | 0 | 111.5 | F121 Y126 W152 I153 E158 | F121-I156 HydrophobicContact CE2-CD1 3.47Å; F121-I156 VanDerWaalsContact CE2-CD1 3.47Å; F121-I156 HydrophobicContact CZ-CD1 3.39Å; Y126-I156 HydrophobicContact CD1-CG2 4.04Å; Y126-I156 HydrophobicContact CD2-CG2 3.98Å; Y126-I156 HydrophobicContact CE1-CG2 3.66Å; Y126-I156 HydrophobicContact CE2-CG2 3.57Å; Y126-I156 HydrophobicContact CG-CG2 4.19Å; W152-I156 PolarHBondContact O-N 3.29Å; I153-I156 PolarHBondContact O-N 2.96Å; I156-E158 PolarHBondContact O-N 3.42Å |
| 157 | C | 74.8 | Confident | 77.4 | Confident | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -68 | 129.7 | 169.4 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | I153 D159 F162 Q163 | I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.3Å; I153-C157 PolarHBondContact O-SG 3.29Å; I153-C157 VanDerWaalsContact O-SG 3.39Å; C157-D159 PolarHBondContact O-N 3.43Å; C157-F162 HydrophobicContact CB-CD1 4.38Å; C157-Q163 PolarHBondContact O-NE2 3.44Å |
| 158 | E | 65.9 | Low | 77 | Confident | 185 Ų | 185 | 50.9 Ų | 50.9 | 86% | 0.864 | 25% | 0.247 | S | C | * | . | trans | -71.8 | 13.7 | 178.3 | -61.2 | -177.5 | 167.2 | 0 | 0 | 114 | I156 D160 | I156-E158 PolarHBondContact O-N 3.42Å; E158-D160 PolarHBondContact O-N 2.84Å | ||
| 159 | D | 71.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | trans | -86.6 | 100 | -178.2 | -172.4 | 1 | 0 | 0 | 0 | 110.1 | R130 C157 D161 F162 Q163 | R130-D159 IonicContact NH1-OD2 3.78Å; C157-D159 PolarHBondContact O-N 3.43Å; D159-D161 PolarHBondContact O-N 3.26Å; D159-D161 VanDerWaalsContact O-N 3.13Å; D159-F162 HydrophobicContact CB-CB 3.94Å; D159-F162 WeakPolarHBondContact O-CA 3.45Å; D159-F162 WeakPolarHBondContact O-CB 3.27Å; D159-F162 PolarHBondContact O-N 3.5Å; D159-Q163 PolarHBondContact O-N 3.37Å | ||
| 160 | D | 70 | Confident | 76.3 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -49.8 | -37.4 | -178.4 | -79.9 | -16.5 | 0 | 0 | 0 | 113.1 | E158 F162 K164 | E158-D160 PolarHBondContact O-N 2.84Å; D160-F162 VanDerWaalsContact C-N 3.32Å; D160-K164 WeakPolarHBondContact O-CG 3.44Å; D160-K164 PolarHBondContact O-N 3.23Å |
| 161 | D | 72.1 | Confident | 75.5 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.3 | -28.9 | -179.8 | -82.4 | -16.1 | 0 | 0 | 0 | 112.3 | D159 K165 | D159-D161 PolarHBondContact O-N 3.26Å; D159-D161 VanDerWaalsContact O-N 3.13Å; D161-K165 WeakPolarHBondContact O-CG 3.29Å |
| 162 | F | 71.5 | Confident | 74.3 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79 | -42.9 | 175.9 | -165.1 | -127 | 0 | 0 | 0 | 110.7 | R130 I153 C157 D159 D160 K164 K165 T166 | R130-F162 HydrophobicContact CG-CZ 4.32Å; R130-F162 VanDerWaalsContact NH2-CD2 3.25Å; I153-F162 HydrophobicContact CG2-CE1 4.34Å; C157-F162 HydrophobicContact CB-CD1 4.38Å; D159-F162 HydrophobicContact CB-CB 3.94Å; D159-F162 WeakPolarHBondContact O-CA 3.45Å; D159-F162 WeakPolarHBondContact O-CB 3.27Å; D159-F162 PolarHBondContact O-N 3.5Å; D160-F162 VanDerWaalsContact C-N 3.32Å; F162-K164 VanDerWaalsContact C-N 3.26Å; F162-K164 PolarHBondContact O-N 2.83Å; F162-K165 WeakPolarHBondContact O-CA 3.3Å; F162-K165 WeakPolarHBondContact O-CB 3.27Å; F162-K165 PolarHBondContact O-N 3.03Å; F162-T166 PolarHBondContact O-N 2.83Å; F162-T166 VanDerWaalsContact O-N 3.07Å; F162-T166 PolarHBondContact O-OG1 3.37Å |
| 163 | Q | 70.6 | Confident | 72.4 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.4 | -39.7 | 176.2 | -74.8 | -175.6 | 10.5 | 0 | 0 | 113 | G154 C157 D159 K165 T166 | G154-Q163 VanDerWaalsContact O-CG 3.24Å; G154-Q163 WeakPolarHBondContact O-CG 3.29Å; C157-Q163 PolarHBondContact O-NE2 3.44Å; D159-Q163 PolarHBondContact O-N 3.37Å; Q163-K165 VanDerWaalsContact C-N 3.34Å; Q163-K165 PolarHBondContact O-N 3.03Å; Q163-T166 VanDerWaalsContact CA-OG1 3.27Å; Q163-T166 WeakPolarHBondContact CA-OG1 3.49Å; Q163-T166 WeakPolarHBondContact O-CB 3.07Å; Q163-T166 PolarHBondContact O-N 2.93Å; Q163-T166 PolarHBondContact O-OG1 3.5Å |
| 164 | K | 72.7 | Confident | 70.3 | Confident | 140 Ų | 140 | 73.7 Ų | 73.7 | 61% | 0.609 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.7 | -32.6 | 176 | -71 | 171.1 | -172.4 | 160.8 | 0 | 113.4 | D160 F162 T166 | D160-K164 WeakPolarHBondContact O-CG 3.44Å; D160-K164 PolarHBondContact O-N 3.23Å; F162-K164 VanDerWaalsContact C-N 3.26Å; F162-K164 PolarHBondContact O-N 2.83Å; K164-T166 VanDerWaalsContact C-N 3.3Å |
| 165 | K | 74.8 | Confident | 68.3 | Low | 118 Ų | 118 | 78.3 Ų | 78.3 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.2 | -24.4 | 177.1 | -66.5 | 172.3 | -171.8 | 167.4 | 0 | 111.4 | D161 F162 Q163 V167 K168 | D161-K165 WeakPolarHBondContact O-CG 3.29Å; F162-K165 WeakPolarHBondContact O-CA 3.3Å; F162-K165 WeakPolarHBondContact O-CB 3.27Å; F162-K165 PolarHBondContact O-N 3.03Å; Q163-K165 VanDerWaalsContact C-N 3.34Å; Q163-K165 PolarHBondContact O-N 3.03Å; K165-V167 PolarHBondContact O-N 2.81Å; K165-K168 WeakPolarHBondContact O-CB 3.41Å; K165-K168 PolarHBondContact O-N 3.15Å |
| 166 | T | 74.3 | Confident | 66.4 | Low | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.2 | -33.3 | -176.3 | -49.9 | 0 | 0 | 0 | 0 | 114 | G151 L155 F162 Q163 K164 K168 Y169 F170 | G151-T166 WeakPolarHBondContact O-CG2 3.47Å; L155-T166 HydrophobicContact CD2-CG2 4Å; L155-T166 HydrophobicContact CG-CG2 3.92Å; F162-T166 PolarHBondContact O-N 2.83Å; F162-T166 VanDerWaalsContact O-N 3.07Å; F162-T166 PolarHBondContact O-OG1 3.37Å; Q163-T166 VanDerWaalsContact CA-OG1 3.27Å; Q163-T166 WeakPolarHBondContact CA-OG1 3.49Å; Q163-T166 WeakPolarHBondContact O-CB 3.07Å; Q163-T166 PolarHBondContact O-N 2.93Å; Q163-T166 PolarHBondContact O-OG1 3.5Å; K164-T166 VanDerWaalsContact C-N 3.3Å; T166-K168 PolarHBondContact O-N 3.43Å; T166-Y169 WeakPolarHBondContact O-CB 3.2Å; T166-Y169 PolarHBondContact O-N 2.9Å; T166-F170 HydrophobicContact CG2-CD2 4.48Å; T166-F170 HydrophobicContact CG2-CE2 3.87Å |
| 167 | V | 72.7 | Confident | 64.7 | Low | 33 Ų | 33 | 85.9 Ų | 85.9 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -54.2 | -40.8 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | K165 Y169 F170 D171 Y192 | K165-V167 PolarHBondContact O-N 2.81Å; V167-Y169 PolarHBondContact O-N 3.28Å; V167-F170 PolarHBondContact O-N 3.33Å; V167-D171 WeakPolarHBondContact CG1-OD2 3.38Å; V167-D171 PolarHBondContact O-N 3.22Å; V167-Y192 HydrophobicContact CG2-CD1 3.81Å; V167-Y192 HydrophobicContact CG2-CD2 3.81Å; V167-Y192 HydrophobicContact CG2-CE1 3.3Å; V167-Y192 HydrophobicContact CG2-CE2 3.28Å; V167-Y192 HydrophobicContact CG2-CG 4.06Å; V167-Y192 VanDerWaalsContact CG2-OH 3.29Å; V167-Y192 WeakPolarHBondContact CG2-OH 3.37Å |
| 168 | K | 77 | Confident | 63.4 | Low | 133 Ų | 133 | 91.7 Ų | 91.7 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.6 | -34.5 | -178.6 | -63 | -174 | 178.3 | -174.4 | 0 | 112 | K165 T166 F170 D171 E172 | K165-K168 WeakPolarHBondContact O-CB 3.41Å; K165-K168 PolarHBondContact O-N 3.15Å; T166-K168 PolarHBondContact O-N 3.43Å; K168-F170 PolarHBondContact O-N 2.64Å; K168-D171 PolarHBondContact O-N 2.64Å; K168-E172 WeakPolarHBondContact O-CB 3.27Å; K168-E172 VanDerWaalsContact O-CG 3.25Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 3.43Å |
| 169 | Y | 76.7 | Confident | 62.5 | Low | 44 Ų | 44 | 91.7 Ų | 91.7 | 17% | 0.173 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68.7 | -21.6 | 179.3 | -58.6 | -48.1 | 0 | 0 | 0 | 113.3 | L147 N150 T166 V167 | L147-Y169 HydrophobicContact CD2-CD1 3.68Å; L147-Y169 HydrophobicContact CD2-CE1 4.45Å; L147-Y169 WeakPolarHBondContact O-CB 3.43Å; N150-Y169 HydrophobicContact CB-CD2 4.05Å; N150-Y169 HydrophobicContact CB-CE2 4.11Å; N150-Y169 HydrophobicContact CB-CG 4.27Å; T166-Y169 WeakPolarHBondContact O-CB 3.2Å; T166-Y169 PolarHBondContact O-N 2.9Å; V167-Y169 PolarHBondContact O-N 3.28Å |
| 170 | F | 77.2 | Confident | 61.7 | Low | 14 Ų | 14 | 92.1 Ų | 92.1 | 6% | 0.061 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -97.5 | -29.1 | 177 | -61.8 | -57.7 | 0 | 0 | 0 | 113.7 | G151 L155 T166 V167 K168 G188 R189 | G151-F170 VanDerWaalsContact C-CZ 3.42Å; L155-F170 HydrophobicContact CD1-CE2 3.95Å; L155-F170 HydrophobicContact CD1-CZ 4.23Å; L155-F170 HydrophobicContact CG-CE2 4.36Å; T166-F170 HydrophobicContact CG2-CD2 4.48Å; T166-F170 HydrophobicContact CG2-CE2 3.87Å; V167-F170 PolarHBondContact O-N 3.33Å; K168-F170 PolarHBondContact O-N 2.64Å; F170-G188 VanDerWaalsContact CZ-CA 3.44Å; F170-R189 HydrophobicContact CB-CB 4.5Å |
| 171 | D | 68.6 | Low | 61.3 | Low | 74 Ų | 74 | 91.2 Ų | 91.2 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -94.4 | -11.6 | -173.1 | -75 | -26.2 | 0 | 0 | 0 | 115.2 | V167 K168 S173 R189 | V167-D171 WeakPolarHBondContact CG1-OD2 3.38Å; V167-D171 PolarHBondContact O-N 3.22Å; K168-D171 PolarHBondContact O-N 2.64Å; D171-S173 PolarHBondContact O-N 3.42Å; D171-R189 IonicContact OD1-CZ 3.53Å; D171-R189 IonicContact OD1-NE 3.47Å; D171-R189 IonicContact OD1-NH1 3.58Å; D171-R189 PolarHBondContact OD1-NH1 2.93Å; D171-R189 VanDerWaalsContact OD1-NH1 3.15Å |
| 172 | E | 57.5 | Low | 61.3 | Low | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | trans | -72.7 | 79.2 | -177.5 | -80 | 177.2 | -170.2 | 0 | 0 | 113.7 | K168 | K168-E172 WeakPolarHBondContact O-CB 3.27Å; K168-E172 VanDerWaalsContact O-CG 3.25Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 3.43Å | ||
| 173 | S | 47.3 | Very low | 61.9 | Low | 69 Ų | 69 | 88 Ų | 88 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | trans | 155.4 | 96.3 | 135.6 | 45 | 0 | 0 | 0 | 0 | 110.7 | D171 C175 | D171-S173 PolarHBondContact O-N 3.42Å; S173-C175 PolarHBondContact O-N 3.27Å | ||
| 174 | E | 40.5 | Very low | 62.4 | Low | 206 Ų | 206 | 87.4 Ų | 87.4 | 96% | 0.963 | 46% | 0.455 | S | S | * | . | trans | -60.4 | 72.8 | 148.2 | -68.8 | 175.9 | 157.3 | 0 | 0 | 108.5 | ||||
| 175 | C | 38.9 | Very low | 62.9 | Low | 97 Ų | 97 | 82.4 Ų | 82.4 | 66% | 0.655 | 43% | 0.432 | S | S | * | . | trans | -91.3 | 120.2 | 159.8 | -82.3 | 0 | 0 | 0 | 0 | 106.9 | S173 D177 | S173-C175 PolarHBondContact O-N 3.27Å; C175-D177 PolarHBondContact O-N 3.06Å | ||
| 176 | S | 41.9 | Very low | 63.5 | Low | 121 Ų | 121 | 77.2 Ų | 77.2 | 85% | 0.846 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -59.7 | 19 | -173.2 | 48.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 177 | D | 42.4 | Very low | 64.1 | Low | 115 Ų | 115 | 77.4 Ų | 77.4 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | trans | -108.6 | 106.6 | -179.6 | -63.6 | -22.3 | 0 | 0 | 0 | 109.7 | C175 E179 | C175-D177 PolarHBondContact O-N 3.06Å; D177-E179 PolarHBondContact O-N 3.12Å | ||
| 178 | D | 47.4 | Very low | 64.7 | Low | 135 Ų | 135 | 75.9 Ų | 75.9 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -54 | -13.4 | -178.6 | -105.1 | -40 | 0 | 0 | 0 | 114.7 | K212 | D178-K212 IonicContact OD1-NZ 2.66Š|
| 179 | E | 48 | Very low | 65.2 | Low | 185 Ų | 185 | 74.6 Ų | 74.6 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -89.2 | -3.9 | -168.4 | -65 | -172.8 | 160.3 | 0 | 0 | 115.4 | D177 | D177-E179 PolarHBondContact O-N 3.12Š|
| 180 | T | 53.1 | Low | 65.7 | Low | 84 Ų | 84 | 72.6 Ų | 72.6 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -133.9 | 35.3 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 117 | K144 S182 | K144-T180 PolarHBondContact NZ-OG1 2.96Å; T180-S182 PolarHBondContact O-N 2.93Å; T180-S182 VanDerWaalsContact O-N 3.08Å |
| 181 | M | 61.4 | Low | 66.1 | Low | 90 Ų | 90 | 75 Ų | 75 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | trans | -69.4 | 100.3 | 165.4 | -76.5 | -71.6 | -85.8 | 0 | 0 | 110.1 | L186 | M181-L186 HydrophobicContact CE-CD1 4.29Å; M181-L186 HydrophobicContact CE-CD2 3.64Å; M181-L186 HydrophobicContact CE-CG 4.1Å | ||
| 182 | S | 73.1 | Confident | 67 | Low | 36 Ų | 36 | 74.2 Ų | 74.2 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | trans | -71.8 | 128.2 | 179.6 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | T180 E184 R185 L186 | T180-S182 PolarHBondContact O-N 2.93Å; T180-S182 VanDerWaalsContact O-N 3.08Å; S182-E184 VanDerWaalsContact C-N 3.25Å; S182-E184 PolarHBondContact O-N 3.37Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 WeakPolarHBondContact OG-CB 3.45Å; S182-R185 WeakPolarHBondContact OG-CD 3.36Å; S182-R185 WeakPolarHBondContact OG-CG 3.19Å; S182-L186 PolarHBondContact O-N 3.32Å | ||
| 183 | I | 83.5 | Confident | 68.3 | Low | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -50.4 | -43.5 | 178.7 | -66.1 | 166.1 | 0 | 0 | 0 | 112.1 | E7 A10 R185 L186 M187 L209 F213 Y216 | E7-I183 VanDerWaalsContact CA-CD1 3.5Å; E7-I183 HydrophobicContact CB-CD1 3.87Å; E7-I183 HydrophobicContact CG-CD1 4.23Å; A10-I183 HydrophobicContact CB-CB 3.93Å; A10-I183 HydrophobicContact CB-CG2 3.5Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 3.11Å; I183-L186 PolarHBondContact O-N 3.38Å; I183-M187 HydrophobicContact CG2-CG 4.17Å; I183-M187 WeakPolarHBondContact O-CG 3.45Å; I183-M187 PolarHBondContact O-N 2.95Å; I183-L209 HydrophobicContact CB-CD1 4.46Å; I183-L209 HydrophobicContact CG1-CD1 4.33Å; I183-L209 HydrophobicContact CG2-CD1 4.08Å; I183-F213 HydrophobicContact CD1-CD1 3.88Å; I183-F213 HydrophobicContact CD1-CD2 4.12Å; I183-F213 HydrophobicContact CD1-CE1 3.95Å; I183-F213 HydrophobicContact CD1-CE2 4.18Å; I183-F213 HydrophobicContact CD1-CG 3.96Å; I183-F213 HydrophobicContact CD1-CZ 4.1Å; I183-F213 HydrophobicContact CG1-CD1 4.29Å; I183-F213 HydrophobicContact CG1-CD2 3.68Å; I183-F213 HydrophobicContact CG1-CE1 4.16Å; I183-F213 HydrophobicContact CG1-CE2 3.52Å; I183-F213 HydrophobicContact CG1-CG 4.06Å; I183-F213 HydrophobicContact CG1-CZ 3.77Å; I183-Y216 HydrophobicContact CG2-CD1 3.98Å; I183-Y216 HydrophobicContact CG2-CD2 4.36Å; I183-Y216 HydrophobicContact CG2-CE1 3.45Å; I183-Y216 VanDerWaalsContact CG2-CE1 3.45Å; I183-Y216 HydrophobicContact CG2-CE2 3.87Å; I183-Y216 HydrophobicContact CG2-CG 4.41Å |
| 184 | E | 81.8 | Confident | 70.1 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 12% | 0.121 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 179.6 | -79.5 | -68.2 | 133.3 | 0 | 0 | 114 | A10 F13 R17 W152 S182 G188 | A10-E184 WeakPolarHBondContact CA-OE1 3.24Å; A10-E184 HydrophobicContact CB-CG 4.09Å; F13-E184 HydrophobicContact CD2-CG 4.29Å; R17-E184 IonicContact CZ-OE1 3.6Å; R17-E184 IonicContact CZ-OE2 2.94Å; R17-E184 IonicContact NH1-OE1 3.8Å; R17-E184 PolarHBondContact NH1-OE1 3.21Å; R17-E184 IonicContact NH1-OE2 3.16Å; R17-E184 PolarHBondContact NH1-OE2 3.22Å; R17-E184 IonicContact NH2-OE1 3.77Å; R17-E184 PolarHBondContact NH2-OE1 3.06Å; R17-E184 IonicContact NH2-OE2 3.65Å; R17-E184 PolarHBondContact NH2-OE2 3.36Å; W152-E184 PolarHBondContact NE1-OE2 3.32Å; S182-E184 VanDerWaalsContact C-N 3.25Å; S182-E184 PolarHBondContact O-N 3.37Å; E184-G188 PolarHBondContact O-N 3.39Å |
| 185 | R | 83.2 | Confident | 72.1 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 13% | 0.132 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 175.9 | -75.2 | 178.8 | -177.4 | -178 | -14.9 | 111.5 | K144 C148 S182 I183 M187 G188 R189 | K144-R185 VanDerWaalsContact CG-NH2 3.26Å; C148-R185 WeakPolarHBondContact SG-CG 3.05Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 WeakPolarHBondContact OG-CB 3.45Å; S182-R185 WeakPolarHBondContact OG-CD 3.36Å; S182-R185 WeakPolarHBondContact OG-CG 3.19Å; I183-R185 VanDerWaalsContact C-N 3.32Å; I183-R185 PolarHBondContact O-N 3.11Å; R185-M187 VanDerWaalsContact C-N 3.34Å; R185-G188 PolarHBondContact O-N 2.67Å; R185-R189 PolarHBondContact O-N 3.15Å |
| 186 | L | 86.3 | Confident | 74.1 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.5 | -75 | 173 | 0 | 0 | 0 | 110.1 | M181 S182 I183 G188 R189 I190 V205 L209 | M181-L186 HydrophobicContact CE-CD1 4.29Å; M181-L186 HydrophobicContact CE-CD2 3.64Å; M181-L186 HydrophobicContact CE-CG 4.1Å; S182-L186 PolarHBondContact O-N 3.32Å; I183-L186 PolarHBondContact O-N 3.38Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 3.11Å; L186-R189 PolarHBondContact O-N 2.81Å; L186-I190 VanDerWaalsContact O-CD1 3.31Å; L186-I190 WeakPolarHBondContact O-CD1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.29Å; L186-I190 PolarHBondContact O-N 3.19Å; L186-V205 HydrophobicContact CD2-CG1 3.73Å; L186-L209 HydrophobicContact CB-CD1 4.04Å; L186-L209 HydrophobicContact CD1-CB 4.22Å; L186-L209 HydrophobicContact CD1-CD1 3.74Å |
| 187 | M | 87.6 | Confident | 76.1 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.7 | -71.5 | -63 | -72.2 | 0 | 0 | 112.7 | Y14 W152 I183 R185 I190 K191 L209 Y216 P218 E222 | Y14-M187 HydrophobicContact CD2-CE 3.7Å; Y14-M187 HydrophobicContact CE2-CE 3.93Å; W152-M187 HydrophobicContact CH2-CB 4.41Å; W152-M187 HydrophobicContact CZ2-CB 3.98Å; I183-M187 HydrophobicContact CG2-CG 4.17Å; I183-M187 WeakPolarHBondContact O-CG 3.45Å; I183-M187 PolarHBondContact O-N 2.95Å; R185-M187 VanDerWaalsContact C-N 3.34Å; M187-I190 PolarHBondContact O-N 3.44Å; M187-I190 HydrophobicContact SD-CD1 4.08Å; M187-K191 PolarHBondContact O-N 3.44Å; M187-L209 HydrophobicContact CG-CD2 4.17Å; M187-L209 HydrophobicContact SD-CD2 3.46Å; M187-L209 WeakPolarHBondContact SD-CD2 3.3Å; M187-Y216 HydrophobicContact CE-CE1 4.49Å; M187-Y216 HydrophobicContact CG-CE1 4.05Å; M187-Y216 HydrophobicContact SD-CE1 3.89Å; M187-P218 HydrophobicContact CE-CB 4.34Å; M187-E222 HydrophobicContact CE-CG 3.61Å; M187-E222 HydrophobicContact SD-CG 4.49Å |
| 188 | G | 85.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F170 E184 R185 L186 K191 Y192 | F170-G188 VanDerWaalsContact CZ-CA 3.44Å; E184-G188 PolarHBondContact O-N 3.39Å; R185-G188 PolarHBondContact O-N 2.67Å; L186-G188 VanDerWaalsContact C-N 3.35Å; L186-G188 PolarHBondContact O-N 3.11Å; G188-K191 PolarHBondContact O-N 3.26Å; G188-Y192 PolarHBondContact O-N 3.23Å |
| 189 | R | 86.2 | Confident | 80.2 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.6 | -176.7 | 171.3 | 170.5 | 170.1 | -8.6 | 112.3 | F170 D171 R185 L186 Y192 L193 V205 | F170-R189 HydrophobicContact CB-CB 4.5Å; D171-R189 IonicContact OD1-CZ 3.53Å; D171-R189 IonicContact OD1-NE 3.47Å; D171-R189 IonicContact OD1-NH1 3.58Å; D171-R189 PolarHBondContact OD1-NH1 2.93Å; D171-R189 VanDerWaalsContact OD1-NH1 3.15Å; R185-R189 PolarHBondContact O-N 3.15Å; L186-R189 PolarHBondContact O-N 2.81Å; R189-Y192 PolarHBondContact O-N 3.4Å; R189-L193 HydrophobicContact CG-CD1 4.11Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.46Å; R189-L193 PolarHBondContact O-N 3.19Å; R189-V205 HydrophobicContact CB-CG1 4.47Å; R189-V205 HydrophobicContact CG-CG1 4.33Å; R189-V205 HydrophobicContact CG-CG2 4.39Å |
| 190 | I | 88.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 175.4 | -67.8 | 157.1 | 0 | 0 | 0 | 110.1 | L186 M187 Y192 L193 Q194 V205 V206 L209 E222 I226 | L186-I190 VanDerWaalsContact O-CD1 3.31Å; L186-I190 WeakPolarHBondContact O-CD1 3.25Å; L186-I190 WeakPolarHBondContact O-CG1 3.29Å; L186-I190 PolarHBondContact O-N 3.19Å; M187-I190 PolarHBondContact O-N 3.44Å; M187-I190 HydrophobicContact SD-CD1 4.08Å; I190-Y192 PolarHBondContact O-N 3.18Å; I190-L193 PolarHBondContact O-N 3.09Å; I190-Q194 WeakPolarHBondContact O-CG 3.42Å; I190-Q194 PolarHBondContact O-N 3.23Å; I190-V205 HydrophobicContact CD1-CG1 4.26Å; I190-V205 HydrophobicContact CG1-CB 4.06Å; I190-V205 HydrophobicContact CG1-CG1 3.7Å; I190-V206 HydrophobicContact CB-CG2 4.18Å; I190-V206 HydrophobicContact CD1-CB 4.28Å; I190-V206 HydrophobicContact CD1-CG2 3.45Å; I190-V206 VanDerWaalsContact CD1-CG2 3.45Å; I190-V206 HydrophobicContact CG1-CG2 3.55Å; I190-V206 HydrophobicContact CG2-CG2 3.51Å; I190-L209 HydrophobicContact CD1-CD2 3.84Å; I190-E222 HydrophobicContact CG2-CB 4.32Å; I190-I226 HydrophobicContact CG2-CD1 3.79Å |
| 191 | K | 85.8 | Confident | 83.9 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.3 | -40.2 | -180 | -168.8 | 65.1 | 168.5 | -171.4 | 0 | 112.4 | W152 L155 M187 G188 L193 Q194 V195 | W152-K191 HydrophobicContact CH2-CB 4.08Å; W152-K191 HydrophobicContact CZ3-CB 3.93Å; W152-K191 HydrophobicContact CZ3-CG 3.93Å; L155-K191 HydrophobicContact CD1-CB 3.81Å; L155-K191 HydrophobicContact CD1-CG 3.94Å; M187-K191 PolarHBondContact O-N 3.44Å; G188-K191 PolarHBondContact O-N 3.26Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.41Å; K191-Q194 VanDerWaalsContact CD-OE1 3.24Å; K191-Q194 WeakPolarHBondContact O-CB 3.35Å; K191-Q194 PolarHBondContact O-N 3.21Å; K191-V195 WeakPolarHBondContact O-CG2 3.48Å; K191-V195 PolarHBondContact O-N 3.32Å |
| 192 | Y | 86 | Confident | 85.3 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 172.2 | 172.7 | -100.7 | 0 | 0 | 0 | 111.7 | L155 V167 G188 R189 I190 Q194 V195 S196 | L155-Y192 HydrophobicContact CD2-CD2 3.84Å; L155-Y192 HydrophobicContact CD2-CG 4.34Å; V167-Y192 HydrophobicContact CG2-CD1 3.81Å; V167-Y192 HydrophobicContact CG2-CD2 3.81Å; V167-Y192 HydrophobicContact CG2-CE1 3.3Å; V167-Y192 HydrophobicContact CG2-CE2 3.28Å; V167-Y192 HydrophobicContact CG2-CG 4.06Å; V167-Y192 VanDerWaalsContact CG2-OH 3.29Å; V167-Y192 WeakPolarHBondContact CG2-OH 3.37Å; G188-Y192 PolarHBondContact O-N 3.23Å; R189-Y192 PolarHBondContact O-N 3.4Å; I190-Y192 PolarHBondContact O-N 3.18Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 3.41Å; Y192-V195 PolarHBondContact O-N 2.89Å; Y192-S196 WeakPolarHBondContact O-CB 3.19Å; Y192-S196 PolarHBondContact O-N 3.36Å; Y192-S196 PolarHBondContact O-OG 2.94Å |
| 193 | L | 86.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | -178.9 | -69.1 | 168.7 | 0 | 0 | 0 | 111.9 | R189 I190 K191 S196 K197 S198 A202 V205 | R189-L193 HydrophobicContact CG-CD1 4.11Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3.46Å; R189-L193 PolarHBondContact O-N 3.19Å; I190-L193 PolarHBondContact O-N 3.09Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 3.41Å; L193-S196 WeakPolarHBondContact CA-OG 3.33Å; L193-S196 PolarHBondContact O-N 2.92Å; L193-S196 PolarHBondContact O-OG 3.29Å; L193-K197 PolarHBondContact O-N 2.88Å; L193-S198 PolarHBondContact O-N 3.11Å; L193-A202 HydrophobicContact CB-CB 3.59Å; L193-A202 HydrophobicContact CD1-CB 4.39Å; L193-V205 HydrophobicContact CD1-CG2 3.94Å |
| 194 | Q | 85.4 | Confident | 86.4 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 171.2 | -71.8 | 175.6 | -16.6 | 0 | 0 | 112.5 | I190 K191 Y192 S196 K197 F199 E222 I226 | I190-Q194 WeakPolarHBondContact O-CG 3.42Å; I190-Q194 PolarHBondContact O-N 3.23Å; K191-Q194 VanDerWaalsContact CD-OE1 3.24Å; K191-Q194 WeakPolarHBondContact O-CB 3.35Å; K191-Q194 PolarHBondContact O-N 3.21Å; Y192-Q194 VanDerWaalsContact C-N 3.31Å; Y192-Q194 PolarHBondContact O-N 3.41Å; Q194-S196 VanDerWaalsContact C-N 3.3Å; Q194-S196 PolarHBondContact O-N 3.24Å; Q194-K197 PolarHBondContact O-N 3.39Å; Q194-F199 HydrophobicContact CB-CE1 4.49Å; Q194-E222 PolarHBondContact NE2-OE2 3.5Å; Q194-E222 PolarHBondContact OE1-OE2 3.43Å; Q194-I226 HydrophobicContact CG-CD1 4.4Å; Q194-I226 HydrophobicContact CG-CG1 3.96Å; Q194-I226 VanDerWaalsContact NE2-CG1 3.32Å |
| 195 | V | 81.1 | Confident | 86.7 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | K191 Y192 K197 | K191-V195 WeakPolarHBondContact O-CG2 3.48Å; K191-V195 PolarHBondContact O-N 3.32Å; Y192-V195 PolarHBondContact O-N 2.89Å; V195-K197 PolarHBondContact O-N 3.25Å |
| 196 | S | 82.1 | Confident | 87.1 | Confident | 47 Ų | 47 | 41 Ų | 41 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 4.3 | 174.9 | 73.5 | 0 | 0 | 0 | 0 | 114.8 | Y192 L193 Q194 S198 | Y192-S196 WeakPolarHBondContact O-CB 3.19Å; Y192-S196 PolarHBondContact O-N 3.36Å; Y192-S196 PolarHBondContact O-OG 2.94Å; L193-S196 WeakPolarHBondContact CA-OG 3.33Å; L193-S196 PolarHBondContact O-N 2.92Å; L193-S196 PolarHBondContact O-OG 3.29Å; Q194-S196 VanDerWaalsContact C-N 3.3Å; Q194-S196 PolarHBondContact O-N 3.24Å; S196-S198 PolarHBondContact O-N 3.46Å; S196-S198 VanDerWaalsContact O-N 3.15Å |
| 197 | K | 82.5 | Confident | 87.3 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.1 | -176.2 | -56.8 | -177.3 | 178 | -175.7 | 0 | 114.6 | L193 Q194 V195 F199 N437 | L193-K197 PolarHBondContact O-N 2.88Å; Q194-K197 PolarHBondContact O-N 3.39Å; V195-K197 PolarHBondContact O-N 3.25Å; K197-F199 HydrophobicContact CB-CE2 4.19Å; K197-F199 HydrophobicContact CB-CZ 4.47Å; K197-F199 PolarHBondContact O-N 3.49Å; K197-N437 PolarHBondContact NZ-O 3.32Å |
| 198 | S | 87.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | trans | -93.6 | 66.2 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L193 S196 S200 A202 | L193-S198 PolarHBondContact O-N 3.11Å; S196-S198 PolarHBondContact O-N 3.46Å; S196-S198 VanDerWaalsContact O-N 3.15Å; S198-S200 PolarHBondContact O-N 3.12Å; S198-A202 PolarHBondContact O-N 2.96Å; S198-A202 VanDerWaalsContact O-N 3.13Å | ||
| 199 | F | 89.2 | Confident | 87.4 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -32.1 | -171 | -60.6 | -65 | 0 | 0 | 0 | 114.5 | Q194 K197 A202 L203 I226 A229 L230 | Q194-F199 HydrophobicContact CB-CE1 4.49Å; K197-F199 HydrophobicContact CB-CE2 4.19Å; K197-F199 HydrophobicContact CB-CZ 4.47Å; K197-F199 PolarHBondContact O-N 3.49Å; F199-A202 WeakPolarHBondContact O-CB 3.42Å; F199-A202 PolarHBondContact O-N 3.45Å; F199-L203 PolarHBondContact O-N 3.12Å; F199-I226 HydrophobicContact CB-CG2 4.1Å; F199-I226 WeakPolarHBondContact O-CG2 3.35Å; F199-A229 HydrophobicContact CD1-CB 3.59Å; F199-A229 HydrophobicContact CD2-CB 4.15Å; F199-A229 HydrophobicContact CE1-CB 3.52Å; F199-A229 HydrophobicContact CE2-CB 4.09Å; F199-A229 HydrophobicContact CG-CB 3.92Å; F199-A229 HydrophobicContact CZ-CB 3.8Å; F199-L230 HydrophobicContact CB-CD1 4.28Å; F199-L230 HydrophobicContact CB-CD2 3.61Å; F199-L230 HydrophobicContact CB-CG 3.72Å |
| 200 | S | 90.1 | Very high | 87.5 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 112 | S198 A202 L203 D204 | S198-S200 PolarHBondContact O-N 3.12Å; S200-A202 VanDerWaalsContact C-N 3.25Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-L203 WeakPolarHBondContact O-CB 3.17Å; S200-L203 PolarHBondContact O-N 3.18Å; S200-L203 VanDerWaalsContact O-N 3.13Å; S200-D204 PolarHBondContact O-N 2.77Å; S200-D204 VanDerWaalsContact O-N 3.17Å |
| 201 | S | 89 | Confident | 87.4 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | L203 D204 V205 | S201-L203 VanDerWaalsContact C-N 3.34Å; S201-D204 PolarHBondContact O-N 3.13Å; S201-V205 WeakPolarHBondContact O-CG2 3.47Å; S201-V205 PolarHBondContact O-N 3.31Å |
| 202 | A | 89 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L193 S198 F199 S200 D204 V205 V206 I226 | L193-A202 HydrophobicContact CB-CB 3.59Å; L193-A202 HydrophobicContact CD1-CB 4.39Å; S198-A202 PolarHBondContact O-N 2.96Å; S198-A202 VanDerWaalsContact O-N 3.13Å; F199-A202 WeakPolarHBondContact O-CB 3.42Å; F199-A202 PolarHBondContact O-N 3.45Å; S200-A202 VanDerWaalsContact C-N 3.25Å; S200-A202 PolarHBondContact O-N 3.06Å; A202-D204 VanDerWaalsContact C-N 3.34Å; A202-D204 PolarHBondContact O-N 2.81Å; A202-V205 PolarHBondContact O-N 3.07Å; A202-V206 WeakPolarHBondContact O-CG2 3.49Å; A202-V206 PolarHBondContact O-N 3.09Å; A202-I226 HydrophobicContact CB-CD1 3.67Å; A202-I226 HydrophobicContact CB-CG1 4.22Å; A202-I226 HydrophobicContact CB-CG2 4.35Å |
| 203 | L | 91 | Very high | 87.3 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.7 | -171.9 | 62.7 | 0 | 0 | 0 | 112.2 | F199 S200 S201 V206 N207 K223 I226 Q227 L230 | F199-L203 PolarHBondContact O-N 3.12Å; S200-L203 WeakPolarHBondContact O-CB 3.17Å; S200-L203 PolarHBondContact O-N 3.18Å; S200-L203 VanDerWaalsContact O-N 3.13Å; S201-L203 VanDerWaalsContact C-N 3.34Å; L203-V206 PolarHBondContact O-N 2.68Å; L203-N207 WeakPolarHBondContact O-CB 3.3Å; L203-N207 VanDerWaalsContact O-CG 3.24Å; L203-N207 PolarHBondContact O-N 3.44Å; L203-N207 PolarHBondContact O-ND2 3.39Å; L203-K223 HydrophobicContact CD1-CG 3.93Å; L203-I226 HydrophobicContact CB-CG2 3.98Å; L203-I226 HydrophobicContact CD1-CG2 4.4Å; L203-Q227 HydrophobicContact CD1-CG 4.06Å; L203-L230 HydrophobicContact CD2-CD1 4.08Å |
| 204 | D | 90.6 | Very high | 87.1 | Confident | 101 Ų | 101 | 50.7 Ų | 50.7 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.3 | -66.6 | -28.3 | 0 | 0 | 0 | 111.7 | S200 S201 A202 N207 I208 | S200-D204 PolarHBondContact O-N 2.77Å; S200-D204 VanDerWaalsContact O-N 3.17Å; S201-D204 PolarHBondContact O-N 3.13Å; A202-D204 VanDerWaalsContact C-N 3.34Å; A202-D204 PolarHBondContact O-N 2.81Å; D204-N207 PolarHBondContact O-N 3.17Å; D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.38Å; D204-I208 VanDerWaalsContact O-N 3.11Å |
| 205 | V | 88.2 | Confident | 87 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | L186 R189 I190 L193 S201 A202 I208 L209 | L186-V205 HydrophobicContact CD2-CG1 3.73Å; R189-V205 HydrophobicContact CB-CG1 4.47Å; R189-V205 HydrophobicContact CG-CG1 4.33Å; R189-V205 HydrophobicContact CG-CG2 4.39Å; I190-V205 HydrophobicContact CD1-CG1 4.26Å; I190-V205 HydrophobicContact CG1-CB 4.06Å; I190-V205 HydrophobicContact CG1-CG1 3.7Å; L193-V205 HydrophobicContact CD1-CG2 3.94Å; S201-V205 WeakPolarHBondContact O-CG2 3.47Å; S201-V205 PolarHBondContact O-N 3.31Å; A202-V205 PolarHBondContact O-N 3.07Å; V205-I208 WeakPolarHBondContact O-CB 3.3Å; V205-I208 PolarHBondContact O-N 3.43Å; V205-L209 PolarHBondContact O-N 3.41Å; V205-L209 VanDerWaalsContact O-N 3.07Å |
| 206 | V | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | I190 A202 L203 I208 L209 V210 G219 K223 I226 | I190-V206 HydrophobicContact CB-CG2 4.18Å; I190-V206 HydrophobicContact CD1-CB 4.28Å; I190-V206 HydrophobicContact CD1-CG2 3.45Å; I190-V206 VanDerWaalsContact CD1-CG2 3.45Å; I190-V206 HydrophobicContact CG1-CG2 3.55Å; I190-V206 HydrophobicContact CG2-CG2 3.51Å; A202-V206 WeakPolarHBondContact O-CG2 3.49Å; A202-V206 PolarHBondContact O-N 3.09Å; L203-V206 PolarHBondContact O-N 2.68Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 3.18Å; V206-L209 WeakPolarHBondContact O-CB 3.48Å; V206-L209 PolarHBondContact O-N 2.9Å; V206-L209 VanDerWaalsContact O-N 3.1Å; V206-V210 HydrophobicContact CG1-CG2 3.97Å; V206-V210 WeakPolarHBondContact O-CG2 3.37Å; V206-V210 PolarHBondContact O-N 3.13Å; V206-G219 WeakPolarHBondContact CG1-O 3.19Å; V206-K223 HydrophobicContact CG1-CB 3.43Å; V206-K223 VanDerWaalsContact CG1-CB 3.43Å; V206-K223 HydrophobicContact CG1-CD 4.17Å; V206-K223 HydrophobicContact CG1-CG 3.76Å; V206-I226 HydrophobicContact CG2-CD1 3.49Å; V206-I226 VanDerWaalsContact CG2-CD1 3.49Å |
| 207 | N | 91 | Very high | 87.6 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 177.3 | -75.2 | -34 | 0 | 0 | 0 | 111.3 | L203 D204 L209 V210 V211 K223 | L203-N207 WeakPolarHBondContact O-CB 3.3Å; L203-N207 VanDerWaalsContact O-CG 3.24Å; L203-N207 PolarHBondContact O-N 3.44Å; L203-N207 PolarHBondContact O-ND2 3.39Å; D204-N207 PolarHBondContact O-N 3.17Å; N207-L209 VanDerWaalsContact C-N 3.33Å; N207-L209 PolarHBondContact O-N 3.49Å; N207-V210 PolarHBondContact O-N 3.42Å; N207-V211 WeakPolarHBondContact O-CB 3.26Å; N207-V211 WeakPolarHBondContact O-CG2 3.25Å; N207-V211 PolarHBondContact O-N 3.47Å; N207-K223 VanDerWaalsContact OD1-CE 3.29Å; N207-K223 WeakPolarHBondContact OD1-CE 3.18Å; N207-K223 PolarHBondContact OD1-NZ 2.87Å |
| 208 | I | 88.7 | Confident | 87.9 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 42% | 0.415 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 172.4 | -64.4 | 165.8 | 0 | 0 | 0 | 110.7 | D204 V205 V206 V211 K212 | D204-I208 WeakPolarHBondContact O-CG1 3.37Å; D204-I208 PolarHBondContact O-N 3.38Å; D204-I208 VanDerWaalsContact O-N 3.11Å; V205-I208 WeakPolarHBondContact O-CB 3.3Å; V205-I208 PolarHBondContact O-N 3.43Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 3.18Å; I208-V211 PolarHBondContact O-N 3.08Å; I208-K212 HydrophobicContact CG2-CD 4.45Å; I208-K212 WeakPolarHBondContact O-CG 3.26Å; I208-K212 PolarHBondContact O-N 2.93Å |
| 209 | L | 86.6 | Confident | 88 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | 177.9 | 179.7 | 71 | 0 | 0 | 0 | 112 | I183 L186 M187 I190 V205 V206 N207 V211 K212 F213 Y216 | I183-L209 HydrophobicContact CB-CD1 4.46Å; I183-L209 HydrophobicContact CG1-CD1 4.33Å; I183-L209 HydrophobicContact CG2-CD1 4.08Å; L186-L209 HydrophobicContact CB-CD1 4.04Å; L186-L209 HydrophobicContact CD1-CB 4.22Å; L186-L209 HydrophobicContact CD1-CD1 3.74Å; M187-L209 HydrophobicContact CG-CD2 4.17Å; M187-L209 HydrophobicContact SD-CD2 3.46Å; M187-L209 WeakPolarHBondContact SD-CD2 3.3Å; I190-L209 HydrophobicContact CD1-CD2 3.84Å; V205-L209 PolarHBondContact O-N 3.41Å; V205-L209 VanDerWaalsContact O-N 3.07Å; V206-L209 WeakPolarHBondContact O-CB 3.48Å; V206-L209 PolarHBondContact O-N 2.9Å; V206-L209 VanDerWaalsContact O-N 3.1Å; N207-L209 VanDerWaalsContact C-N 3.33Å; N207-L209 PolarHBondContact O-N 3.49Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.93Å; L209-K212 PolarHBondContact O-N 3.35Å; L209-F213 HydrophobicContact CD1-CD2 3.92Å; L209-F213 PolarHBondContact O-N 2.67Å; L209-Y216 HydrophobicContact CD1-CD1 4.36Å; L209-Y216 HydrophobicContact CD2-CD1 4.07Å; L209-Y216 HydrophobicContact CD2-CE1 4.05Å; L209-Y216 HydrophobicContact CG-CD1 4.31Å |
| 210 | V | 87.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.8 | -32.9 | -178.5 | 172 | 0 | 0 | 0 | 0 | 112 | V206 N207 F213 P214 L220 K223 | V206-V210 HydrophobicContact CG1-CG2 3.97Å; V206-V210 WeakPolarHBondContact O-CG2 3.37Å; V206-V210 PolarHBondContact O-N 3.13Å; N207-V210 PolarHBondContact O-N 3.42Å; V210-F213 CarbonylContact O-C 3.27Å; V210-P214 WeakPolarHBondContact O-CA 3.15Å; V210-L220 HydrophobicContact CB-CD2 4.45Å; V210-L220 HydrophobicContact CG1-CD2 3.68Å; V210-L220 HydrophobicContact CG2-CD2 3.82Å; V210-L220 HydrophobicContact CG2-CG 4.37Å; V210-K223 HydrophobicContact CG2-CD 4.39Å |
| 211 | V | 87.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 36.5 Ų | 36.5 | 72% | 0.715 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -70.8 | -42.7 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111 | N207 I208 L209 | N207-V211 WeakPolarHBondContact O-CB 3.26Å; N207-V211 WeakPolarHBondContact O-CG2 3.25Å; N207-V211 PolarHBondContact O-N 3.47Å; I208-V211 PolarHBondContact O-N 3.08Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.93Å |
| 212 | K | 84 | Confident | 88.3 | Confident | 82 Ų | 82 | 34.2 Ų | 34.2 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -74.2 | -34.7 | 179.8 | -71.6 | -166.3 | 174 | -159.8 | 0 | 112.9 | D178 I208 L209 | D178-K212 IonicContact OD1-NZ 2.66Å; I208-K212 HydrophobicContact CG2-CD 4.45Å; I208-K212 WeakPolarHBondContact O-CG 3.26Å; I208-K212 PolarHBondContact O-N 2.93Å; L209-K212 PolarHBondContact O-N 3.35Å |
| 213 | F | 84.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 25% | 0.254 | 20% | 0.196 | S | C | . | . | trans | -130.1 | 77.3 | -178.3 | -54 | -79.5 | 0 | 0 | 0 | 111.4 | I183 L209 V210 C215 Y216 | I183-F213 HydrophobicContact CD1-CD1 3.88Å; I183-F213 HydrophobicContact CD1-CD2 4.12Å; I183-F213 HydrophobicContact CD1-CE1 3.95Å; I183-F213 HydrophobicContact CD1-CE2 4.18Å; I183-F213 HydrophobicContact CD1-CG 3.96Å; I183-F213 HydrophobicContact CD1-CZ 4.1Å; I183-F213 HydrophobicContact CG1-CD1 4.29Å; I183-F213 HydrophobicContact CG1-CD2 3.68Å; I183-F213 HydrophobicContact CG1-CE1 4.16Å; I183-F213 HydrophobicContact CG1-CE2 3.52Å; I183-F213 HydrophobicContact CG1-CG 4.06Å; I183-F213 HydrophobicContact CG1-CZ 3.77Å; L209-F213 HydrophobicContact CD1-CD2 3.92Å; L209-F213 PolarHBondContact O-N 2.67Å; V210-F213 CarbonylContact O-C 3.27Å; F213-C215 PolarHBondContact O-N 3.39Å; F213-Y216 WeakPolarHBondContact O-CB 3.23Å; F213-Y216 PolarHBondContact O-N 3.27Å; F213-Y216 VanDerWaalsContact O-N 3.16Å | ||
| 214 | P | 83.5 | Confident | 88.5 | Confident | 66 Ų | 66 | 34.4 Ų | 34.4 | 43% | 0.429 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.9 | -174.8 | -24.5 | 35.2 | 0 | 0 | 0 | 115 | V210 I246 | V210-P214 WeakPolarHBondContact O-CA 3.15Å; P214-I246 WeakPolarHBondContact O-CD1 3.32Å |
| 215 | C | 82.6 | Confident | 88.5 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 57% | 0.568 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6 | -179.8 | -60 | 0 | 0 | 0 | 0 | 113.4 | E7 F213 V217 | E7-C215 VanDerWaalsContact OE1-C 3.31Å; F213-C215 PolarHBondContact O-N 3.39Å; C215-V217 PolarHBondContact O-N 3.31Å |
| 216 | Y | 87.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | trans | -78.7 | 88.4 | -178.9 | -176.8 | -114 | 0 | 0 | 0 | 110.5 | E7 A10 S11 I183 M187 L209 F213 P218 G219 | E7-Y216 HydrophobicContact CG-CD2 3.87Å; E7-Y216 HydrophobicContact CG-CG 4.5Å; E7-Y216 PolarHBondContact OE1-N 2.93Å; A10-Y216 HydrophobicContact CB-CE2 3.96Å; A10-Y216 PolarHBondContact O-OH 3.26Å; S11-Y216 WeakPolarHBondContact OG-CE2 3.42Å; I183-Y216 HydrophobicContact CG2-CD1 3.98Å; I183-Y216 HydrophobicContact CG2-CD2 4.36Å; I183-Y216 HydrophobicContact CG2-CE1 3.45Å; I183-Y216 VanDerWaalsContact CG2-CE1 3.45Å; I183-Y216 HydrophobicContact CG2-CE2 3.87Å; I183-Y216 HydrophobicContact CG2-CG 4.41Å; M187-Y216 HydrophobicContact CE-CE1 4.49Å; M187-Y216 HydrophobicContact CG-CE1 4.05Å; M187-Y216 HydrophobicContact SD-CE1 3.89Å; L209-Y216 HydrophobicContact CD1-CD1 4.36Å; L209-Y216 HydrophobicContact CD2-CD1 4.07Å; L209-Y216 HydrophobicContact CD2-CE1 4.05Å; L209-Y216 HydrophobicContact CG-CD1 4.31Å; F213-Y216 WeakPolarHBondContact O-CB 3.23Å; F213-Y216 PolarHBondContact O-N 3.27Å; F213-Y216 VanDerWaalsContact O-N 3.16Å; Y216-P218 VanDerWaalsContact C-CD 3.47Å; Y216-P218 HydrophobicContact CD1-CB 4.44Å; Y216-P218 HydrophobicContact CD2-CG 4.27Å; Y216-P218 HydrophobicContact CE1-CB 3.77Å; Y216-P218 HydrophobicContact CE1-CG 4.29Å; Y216-P218 HydrophobicContact CE2-CB 4.1Å; Y216-P218 HydrophobicContact CE2-CG 3.73Å; Y216-G219 PolarHBondContact O-N 3.37Å | ||
| 217 | V | 88.5 | Confident | 88.8 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -50.6 | -44.7 | -177.8 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | C215 G219 L220 I221 C243 I246 D247 C250 | C215-V217 PolarHBondContact O-N 3.31Å; V217-G219 PolarHBondContact O-N 3.12Å; V217-G219 VanDerWaalsContact O-N 3.16Å; V217-L220 WeakPolarHBondContact O-CB 3.47Å; V217-L220 PolarHBondContact O-N 3.44Å; V217-I221 HydrophobicContact CG1-CD1 4.15Å; V217-I221 HydrophobicContact CG1-CG1 4.38Å; V217-I221 PolarHBondContact O-N 3.13Å; V217-I221 VanDerWaalsContact O-N 3.08Å; V217-C243 WeakPolarHBondContact CG1-SG 3.42Å; V217-I246 HydrophobicContact CG2-CB 4.5Å; V217-I246 HydrophobicContact CG2-CG2 3.74Å; V217-D247 HydrophobicContact CG1-CB 4.34Å; V217-D247 HydrophobicContact CG2-CB 3.83Å; V217-C250 HydrophobicContact CG1-CB 4.39Å |
| 218 | P | 89.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58 | -31.5 | 178.3 | -26.8 | 36.3 | 0 | 0 | 0 | 114.8 | Y14 M187 Y216 L220 I221 E222 | Y14-P218 HydrophobicContact CD1-CB 3.55Å; Y14-P218 HydrophobicContact CD1-CG 3.62Å; Y14-P218 HydrophobicContact CD2-CB 3.79Å; Y14-P218 HydrophobicContact CE1-CB 3.8Å; Y14-P218 HydrophobicContact CE1-CG 4.14Å; Y14-P218 HydrophobicContact CE2-CB 4.02Å; Y14-P218 HydrophobicContact CG-CB 3.54Å; Y14-P218 HydrophobicContact CG-CG 3.89Å; M187-P218 HydrophobicContact CE-CB 4.34Å; Y216-P218 VanDerWaalsContact C-CD 3.47Å; Y216-P218 HydrophobicContact CD1-CB 4.44Å; Y216-P218 HydrophobicContact CD2-CG 4.27Å; Y216-P218 HydrophobicContact CE1-CB 3.77Å; Y216-P218 HydrophobicContact CE1-CG 4.29Å; Y216-P218 HydrophobicContact CE2-CB 4.1Å; Y216-P218 HydrophobicContact CE2-CG 3.73Å; P218-L220 VanDerWaalsContact C-N 3.32Å; P218-L220 PolarHBondContact O-N 2.99Å; P218-I221 PolarHBondContact O-N 3.17Å; P218-E222 PolarHBondContact O-N 2.85Å |
| 219 | G | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V206 Y216 V217 K223 | V206-G219 WeakPolarHBondContact CG1-O 3.19Å; Y216-G219 PolarHBondContact O-N 3.37Å; V217-G219 PolarHBondContact O-N 3.12Å; V217-G219 VanDerWaalsContact O-N 3.16Å; G219-K223 PolarHBondContact O-N 2.68Å; G219-K223 VanDerWaalsContact O-N 3.09Å |
| 220 | L | 91.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.4 | -36.6 | 174.5 | -68.3 | 172.4 | 0 | 0 | 0 | 112.2 | V210 V217 P218 K223 M224 R242 C243 I246 | V210-L220 HydrophobicContact CB-CD2 4.45Å; V210-L220 HydrophobicContact CG1-CD2 3.68Å; V210-L220 HydrophobicContact CG2-CD2 3.82Å; V210-L220 HydrophobicContact CG2-CG 4.37Å; V217-L220 WeakPolarHBondContact O-CB 3.47Å; V217-L220 PolarHBondContact O-N 3.44Å; P218-L220 VanDerWaalsContact C-N 3.32Å; P218-L220 PolarHBondContact O-N 2.99Å; L220-K223 VanDerWaalsContact O-CB 3.29Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 PolarHBondContact O-N 3.38Å; L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 3.13Å; L220-R242 HydrophobicContact CD1-CG 4.18Å; L220-C243 HydrophobicContact CB-CB 4.46Å; L220-I246 HydrophobicContact CD1-CD1 3.38Å |
| 221 | I | 91.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 175.4 | -61.1 | 170.1 | 0 | 0 | 0 | 110.3 | Y14 V217 P218 K223 M224 R225 E252 | Y14-I221 HydrophobicContact CE1-CD1 4.14Å; Y14-I221 VanDerWaalsContact OH-CG2 3.25Å; Y14-I221 WeakPolarHBondContact OH-CG2 3.23Å; V217-I221 HydrophobicContact CG1-CD1 4.15Å; V217-I221 HydrophobicContact CG1-CG1 4.38Å; V217-I221 PolarHBondContact O-N 3.13Å; V217-I221 VanDerWaalsContact O-N 3.08Å; P218-I221 PolarHBondContact O-N 3.17Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 2.95Å; I221-M224 HydrophobicContact CG2-CE 4.22Å; I221-M224 WeakPolarHBondContact O-CB 3.37Å; I221-M224 PolarHBondContact O-N 3.31Å; I221-R225 WeakPolarHBondContact O-CG 3.31Å; I221-R225 PolarHBondContact O-N 3.39Å; I221-E252 HydrophobicContact CD1-CB 4.17Å; I221-E252 HydrophobicContact CG1-CB 4.38Å; I221-E252 HydrophobicContact CG2-CB 3.78Å; I221-E252 HydrophobicContact CG2-CG 4.14Å |
| 222 | E | 90.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | 176.2 | -70.9 | -56.7 | 146.5 | 0 | 0 | 112.3 | Y14 M187 I190 Q194 P218 R225 I226 | Y14-E222 HydrophobicContact CE2-CG 4.21Å; M187-E222 HydrophobicContact CE-CG 3.61Å; M187-E222 HydrophobicContact SD-CG 4.49Å; I190-E222 HydrophobicContact CG2-CB 4.32Å; Q194-E222 PolarHBondContact NE2-OE2 3.5Å; Q194-E222 PolarHBondContact OE1-OE2 3.43Å; P218-E222 PolarHBondContact O-N 2.85Å; E222-R225 PolarHBondContact O-N 3.35Å; E222-R225 IonicContact OE1-CZ 3.94Å; E222-R225 IonicContact OE1-NH1 3.23Å; E222-R225 PolarHBondContact OE1-NH1 3.27Å; E222-I226 WeakPolarHBondContact O-CD1 3.37Å; E222-I226 VanDerWaalsContact O-CG1 3.27Å; E222-I226 WeakPolarHBondContact O-CG1 3.22Å; E222-I226 PolarHBondContact O-N 3.03Å; E222-I226 VanDerWaalsContact O-N 3.08Å |
| 223 | K | 92.4 | Very high | 88.9 | Confident | 33 Ų | 33 | 30.4 Ų | 30.4 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57 | -51 | 171 | -163.5 | 172.2 | 164.8 | 164 | 0 | 111.5 | L203 V206 N207 V210 G219 L220 I221 R225 I226 Q227 T239 | L203-K223 HydrophobicContact CD1-CG 3.93Å; V206-K223 HydrophobicContact CG1-CB 3.43Å; V206-K223 VanDerWaalsContact CG1-CB 3.43Å; V206-K223 HydrophobicContact CG1-CD 4.17Å; V206-K223 HydrophobicContact CG1-CG 3.76Å; N207-K223 VanDerWaalsContact OD1-CE 3.29Å; N207-K223 WeakPolarHBondContact OD1-CE 3.18Å; N207-K223 PolarHBondContact OD1-NZ 2.87Å; V210-K223 HydrophobicContact CG2-CD 4.39Å; G219-K223 PolarHBondContact O-N 2.68Å; G219-K223 VanDerWaalsContact O-N 3.09Å; L220-K223 VanDerWaalsContact O-CB 3.29Å; L220-K223 WeakPolarHBondContact O-CB 3.46Å; L220-K223 PolarHBondContact O-N 3.38Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 2.95Å; K223-R225 PolarHBondContact O-N 3.11Å; K223-I226 PolarHBondContact O-N 3.32Å; K223-Q227 VanDerWaalsContact O-CG 3.31Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 3.39Å; K223-Q227 PolarHBondContact O-OE1 3.42Å; K223-T239 HydrophobicContact CD-CG2 3.69Å; K223-T239 HydrophobicContact CG-CG2 4.05Å |
| 224 | M | 92.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 179.5 | 178.9 | -168.4 | 73.3 | 0 | 0 | 111.6 | L220 I221 I226 Q227 L228 A240 F256 | L220-M224 WeakPolarHBondContact O-CB 3.5Å; L220-M224 PolarHBondContact O-N 3.13Å; I221-M224 HydrophobicContact CG2-CE 4.22Å; I221-M224 WeakPolarHBondContact O-CB 3.37Å; I221-M224 PolarHBondContact O-N 3.31Å; M224-I226 PolarHBondContact O-N 2.81Å; M224-Q227 PolarHBondContact O-N 2.83Å; M224-L228 PolarHBondContact O-N 3.41Å; M224-A240 HydrophobicContact CG-CB 4.39Å; M224-A240 HydrophobicContact SD-CB 3.65Å; M224-F256 HydrophobicContact CE-CB 3.62Å; M224-F256 HydrophobicContact CE-CD2 4.35Å; M224-F256 HydrophobicContact CE-CG 4.04Å; M224-F256 HydrophobicContact CG-CB 4.33Å; M224-F256 HydrophobicContact CG-CD1 3.92Å; M224-F256 HydrophobicContact CG-CD2 3.82Å; M224-F256 HydrophobicContact CG-CE1 4.24Å; M224-F256 HydrophobicContact CG-CE2 4.13Å; M224-F256 HydrophobicContact CG-CG 3.72Å; M224-F256 HydrophobicContact CG-CZ 4.36Å; M224-F256 HydrophobicContact SD-CB 3.36Å; M224-F256 WeakPolarHBondContact SD-CB 3.41Å; M224-F256 HydrophobicContact SD-CD1 3.67Å; M224-F256 HydrophobicContact SD-CD2 4Å; M224-F256 HydrophobicContact SD-CG 3.37Å; M224-F256 WeakPolarHBondContact SD-CG 3.35Å |
| 225 | R | 90.9 | Very high | 89.5 | Confident | 53 Ų | 53 | 31.9 Ų | 31.9 | 20% | 0.2 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.2 | -72 | 173.3 | 173.6 | -173.7 | -7.2 | 112.8 | E18 I221 E222 K223 A229 E252 | E18-R225 VanDerWaalsContact CD-NH1 3.35Å; E18-R225 IonicContact OE1-NH1 3.44Å; E18-R225 PolarHBondContact OE1-NH1 2.96Å; E18-R225 IonicContact OE2-CZ 3.48Å; E18-R225 VanDerWaalsContact OE2-CZ 3.28Å; E18-R225 IonicContact OE2-NH1 3.7Å; E18-R225 PolarHBondContact OE2-NH1 3.35Å; E18-R225 IonicContact OE2-NH2 3.14Å; E18-R225 PolarHBondContact OE2-NH2 2.84Å; I221-R225 WeakPolarHBondContact O-CG 3.31Å; I221-R225 PolarHBondContact O-N 3.39Å; E222-R225 PolarHBondContact O-N 3.35Å; E222-R225 IonicContact OE1-CZ 3.94Å; E222-R225 IonicContact OE1-NH1 3.23Å; E222-R225 PolarHBondContact OE1-NH1 3.27Å; K223-R225 PolarHBondContact O-N 3.11Å; R225-A229 PolarHBondContact O-N 3.01Å; R225-A229 VanDerWaalsContact O-N 3.08Å; R225-E252 IonicContact CZ-OE2 3.92Å; R225-E252 IonicContact NE-OE2 2.63Å; R225-E252 IonicContact NH2-OE2 2.7Å; R225-E252 PolarHBondContact NH2-OE2 3.08Å |
| 226 | I | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.9 | -41.3 | 178.5 | -66.1 | 161 | 0 | 0 | 0 | 111.4 | I190 Q194 F199 A202 L203 V206 E222 K223 M224 L228 A229 L230 | I190-I226 HydrophobicContact CG2-CD1 3.79Å; Q194-I226 HydrophobicContact CG-CD1 4.4Å; Q194-I226 HydrophobicContact CG-CG1 3.96Å; Q194-I226 VanDerWaalsContact NE2-CG1 3.32Å; F199-I226 HydrophobicContact CB-CG2 4.1Å; F199-I226 WeakPolarHBondContact O-CG2 3.35Å; A202-I226 HydrophobicContact CB-CD1 3.67Å; A202-I226 HydrophobicContact CB-CG1 4.22Å; A202-I226 HydrophobicContact CB-CG2 4.35Å; L203-I226 HydrophobicContact CB-CG2 3.98Å; L203-I226 HydrophobicContact CD1-CG2 4.4Å; V206-I226 HydrophobicContact CG2-CD1 3.49Å; V206-I226 VanDerWaalsContact CG2-CD1 3.49Å; E222-I226 WeakPolarHBondContact O-CD1 3.37Å; E222-I226 VanDerWaalsContact O-CG1 3.27Å; E222-I226 WeakPolarHBondContact O-CG1 3.22Å; E222-I226 PolarHBondContact O-N 3.03Å; E222-I226 VanDerWaalsContact O-N 3.08Å; K223-I226 PolarHBondContact O-N 3.32Å; M224-I226 PolarHBondContact O-N 2.81Å; I226-L228 VanDerWaalsContact C-N 3.29Å; I226-L228 PolarHBondContact O-N 3.49Å; I226-A229 WeakPolarHBondContact O-CB 3.45Å; I226-A229 PolarHBondContact O-N 3Å; I226-A229 VanDerWaalsContact O-N 3.15Å; I226-L230 HydrophobicContact CG2-CD1 4.14Å; I226-L230 WeakPolarHBondContact O-CG 3.3Å; I226-L230 PolarHBondContact O-N 3.17Å |
| 227 | Q | 92.5 | Very high | 90 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.1 | -70.2 | 166.7 | -53.2 | 0 | 0 | 111 | L203 K223 M224 L230 Q231 D232 S235 A236 T239 | L203-Q227 HydrophobicContact CD1-CG 4.06Å; K223-Q227 VanDerWaalsContact O-CG 3.31Å; K223-Q227 WeakPolarHBondContact O-CG 3.49Å; K223-Q227 PolarHBondContact O-N 3.39Å; K223-Q227 PolarHBondContact O-OE1 3.42Å; M224-Q227 PolarHBondContact O-N 2.83Å; Q227-L230 CarbonylContact O-C 3.26Å; Q227-L230 PolarHBondContact O-N 3.35Å; Q227-Q231 PolarHBondContact O-N 3.36Å; Q227-D232 PolarHBondContact O-N 2.95Å; Q227-S235 VanDerWaalsContact NE2-C 3.3Å; Q227-S235 VanDerWaalsContact NE2-CB 3.34Å; Q227-S235 PolarHBondContact NE2-O 3.35Å; Q227-S235 PolarHBondContact NE2-OG 3.4Å; Q227-S235 PolarHBondContact OE1-O 2.93Å; Q227-A236 HydrophobicContact CB-CB 3.68Å; Q227-T239 PolarHBondContact OE1-OG1 3.3Å |
| 228 | L | 88.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 171.1 | -178.1 | 63.3 | 0 | 0 | 0 | 111.8 | M224 I226 L230 Q231 W233 F256 L440 | M224-L228 PolarHBondContact O-N 3.41Å; I226-L228 VanDerWaalsContact C-N 3.29Å; I226-L228 PolarHBondContact O-N 3.49Å; L228-L230 PolarHBondContact O-N 3.4Å; L228-Q231 WeakPolarHBondContact O-CA 3.22Å; L228-Q231 PolarHBondContact O-N 3.2Å; L228-W233 HydrophobicContact CD1-CD2 4.31Å; L228-W233 HydrophobicContact CD1-CE3 3.91Å; L228-W233 HydrophobicContact CD1-CH2 3.41Å; L228-W233 VanDerWaalsContact CD1-CH2 3.41Å; L228-W233 HydrophobicContact CD1-CZ2 3.81Å; L228-W233 HydrophobicContact CD1-CZ3 3.45Å; L228-W233 VanDerWaalsContact CD1-CZ3 3.45Å; L228-F256 HydrophobicContact CB-CE2 4.08Å; L228-F256 HydrophobicContact CD1-CE2 4.04Å; L228-F256 HydrophobicContact CD2-CD2 4.37Å; L228-F256 HydrophobicContact CD2-CE2 4.17Å; L228-F256 HydrophobicContact CG-CE2 4.31Å; L228-L440 HydrophobicContact CD1-CD2 3.74Å; L228-L440 HydrophobicContact CD1-CG 4.38Å; L228-L440 HydrophobicContact CG-CD2 4.13Å; L228-L440 HydrophobicContact CG-CG 4.38Å; L228-L440 WeakPolarHBondContact O-CD2 3.44Å |
| 229 | A | 87.7 | Confident | 90.3 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F199 R225 I226 Q231 L440 | F199-A229 HydrophobicContact CD1-CB 3.59Å; F199-A229 HydrophobicContact CD2-CB 4.15Å; F199-A229 HydrophobicContact CE1-CB 3.52Å; F199-A229 HydrophobicContact CE2-CB 4.09Å; F199-A229 HydrophobicContact CG-CB 3.92Å; F199-A229 HydrophobicContact CZ-CB 3.8Å; R225-A229 PolarHBondContact O-N 3.01Å; R225-A229 VanDerWaalsContact O-N 3.08Å; I226-A229 WeakPolarHBondContact O-CB 3.45Å; I226-A229 PolarHBondContact O-N 3Å; I226-A229 VanDerWaalsContact O-N 3.15Å; A229-Q231 VanDerWaalsContact C-N 3.28Å; A229-L440 WeakPolarHBondContact CA-O 3.15Å |
| 230 | L | 88.1 | Confident | 90.4 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 40% | 0.398 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -0.9 | 172.5 | -71.2 | 170.4 | 0 | 0 | 0 | 113.8 | F199 L203 I226 Q227 L228 D232 | F199-L230 HydrophobicContact CB-CD1 4.28Å; F199-L230 HydrophobicContact CB-CD2 3.61Å; F199-L230 HydrophobicContact CB-CG 3.72Å; L203-L230 HydrophobicContact CD2-CD1 4.08Å; I226-L230 HydrophobicContact CG2-CD1 4.14Å; I226-L230 WeakPolarHBondContact O-CG 3.3Å; I226-L230 PolarHBondContact O-N 3.17Å; Q227-L230 CarbonylContact O-C 3.26Å; Q227-L230 PolarHBondContact O-N 3.35Å; L228-L230 PolarHBondContact O-N 3.4Å; L230-D232 PolarHBondContact O-N 3.44Å |
| 231 | Q | 85.6 | Confident | 90.4 | Very high | 120 Ų | 120 | 36.6 Ų | 36.6 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.9 | -174.7 | -60.9 | 177.3 | -3.2 | 0 | 0 | 114.4 | Q227 L228 A229 W233 L440 | Q227-Q231 PolarHBondContact O-N 3.36Å; L228-Q231 WeakPolarHBondContact O-CA 3.22Å; L228-Q231 PolarHBondContact O-N 3.2Å; A229-Q231 VanDerWaalsContact C-N 3.28Å; Q231-W233 VanDerWaalsContact O-CD1 3.31Å; Q231-W233 PolarHBondContact O-N 2.98Å; Q231-L440 HydrophobicContact CG-CD2 4.07Å |
| 232 | D | 89.3 | Confident | 90.4 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | trans | -94 | 79.5 | 176.8 | -174.4 | 3.1 | 0 | 0 | 0 | 110.7 | Q227 L230 S235 A236 | Q227-D232 PolarHBondContact O-N 2.95Å; L230-D232 PolarHBondContact O-N 3.44Å; D232-S235 PolarHBondContact OD1-N 3.05Å; D232-S235 PolarHBondContact OD1-OG 3.27Å; D232-S235 VanDerWaalsContact OD2-CB 3.26Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-OG 3.32Å; D232-A236 VanDerWaalsContact O-CB 3.31Å; D232-A236 WeakPolarHBondContact O-CB 3.44Å; D232-A236 PolarHBondContact O-N 3.35Å; D232-A236 VanDerWaalsContact O-N 3.17Å | ||
| 233 | W | 87.7 | Confident | 90.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | -173.7 | -68.5 | 96.6 | 0 | 0 | 0 | 114.1 | L228 Q231 A236 S237 F256 L259 Y260 C263 Y264 L440 Y445 | L228-W233 HydrophobicContact CD1-CD2 4.31Å; L228-W233 HydrophobicContact CD1-CE3 3.91Å; L228-W233 HydrophobicContact CD1-CH2 3.41Å; L228-W233 VanDerWaalsContact CD1-CH2 3.41Å; L228-W233 HydrophobicContact CD1-CZ2 3.81Å; L228-W233 HydrophobicContact CD1-CZ3 3.45Å; L228-W233 VanDerWaalsContact CD1-CZ3 3.45Å; Q231-W233 VanDerWaalsContact O-CD1 3.31Å; Q231-W233 PolarHBondContact O-N 2.98Å; W233-A236 PolarHBondContact O-N 2.74Å; W233-S237 WeakPolarHBondContact O-CB 3.35Å; W233-S237 PolarHBondContact O-N 3.09Å; W233-F256 HydrophobicContact CE3-CZ 4.38Å; W233-L259 HydrophobicContact CH2-CD2 3.41Å; W233-L259 VanDerWaalsContact CH2-CD2 3.41Å; W233-L259 HydrophobicContact CZ3-CD2 3.34Å; W233-Y260 HydrophobicContact CB-CD2 4.4Å; W233-Y260 HydrophobicContact CB-CE2 4.28Å; W233-Y260 HydrophobicContact CE3-CD2 4.1Å; W233-C263 HydrophobicContact CH2-CB 4.36Å; W233-Y264 HydrophobicContact CB-CD1 4.11Å; W233-Y264 HydrophobicContact CB-CD2 3.72Å; W233-Y264 HydrophobicContact CB-CE1 4.11Å; W233-Y264 HydrophobicContact CB-CE2 3.74Å; W233-Y264 HydrophobicContact CB-CG 3.92Å; W233-Y264 AromaticContact CD1-CD2 3.43Å; W233-Y264 VanDerWaalsContact CD1-CD2 3.43Å; W233-Y264 AromaticContact CD1-CE2 3.52Å; W233-Y264 AromaticContact CD2-CD2 3.76Å; W233-Y264 HydrophobicContact CD2-CD2 3.76Å; W233-Y264 HydrophobicContact CD2-CG 4.03Å; W233-Y264 HydrophobicContact CE3-CG 4.39Å; W233-Y264 AromaticContact CG-CD2 3.35Å; W233-Y264 HydrophobicContact CG-CD2 3.35Å; W233-Y264 AromaticContact CG-CE2 3.65Å; W233-Y264 HydrophobicContact CG-CE2 3.65Å; W233-Y264 AromaticContact CG-CG 3.84Å; W233-Y264 HydrophobicContact CG-CG 3.84Å; W233-Y264 AromaticContact NE1-CD2 3.83Å; W233-L440 HydrophobicContact CZ2-CD2 4Å; W233-Y445 HydrophobicContact CH2-CE2 4.41Å; W233-Y445 WeakPolarHBondContact CH2-OH 3.5Å; W233-Y445 WeakPolarHBondContact CZ2-OH 3.43Å |
| 234 | E | 89.1 | Confident | 90.3 | Very high | 127 Ų | 127 | 40.8 Ų | 40.8 | 59% | 0.593 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -67.1 | -50.3 | -177.5 | -65.5 | -178.3 | 177.2 | 0 | 0 | 110.4 | A236 S237 D238 | E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.26Å; E234-S237 WeakPolarHBondContact O-CB 3.37Å; E234-S237 PolarHBondContact O-N 3.37Å; E234-S237 VanDerWaalsContact O-N 3.13Å; E234-D238 PolarHBondContact O-N 2.98Å |
| 235 | S | 91.4 | Very high | 90.2 | Very high | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.6 | -27 | 180 | 82.7 | 0 | 0 | 0 | 0 | 112.6 | Q227 D232 T239 | Q227-S235 VanDerWaalsContact NE2-C 3.3Å; Q227-S235 VanDerWaalsContact NE2-CB 3.34Å; Q227-S235 PolarHBondContact NE2-O 3.35Å; Q227-S235 PolarHBondContact NE2-OG 3.4Å; Q227-S235 PolarHBondContact OE1-O 2.93Å; D232-S235 PolarHBondContact OD1-N 3.05Å; D232-S235 PolarHBondContact OD1-OG 3.27Å; D232-S235 VanDerWaalsContact OD2-CB 3.26Å; D232-S235 WeakPolarHBondContact OD2-CB 3.41Å; D232-S235 PolarHBondContact OD2-OG 3.32Å; S235-T239 WeakPolarHBondContact O-CG2 3.06Å; S235-T239 PolarHBondContact O-N 3.2Å; S235-T239 VanDerWaalsContact O-N 3.13Å; S235-T239 PolarHBondContact O-OG1 2.9Å |
| 236 | A | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -36.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q227 D232 W233 E234 T239 A240 F256 | Q227-A236 HydrophobicContact CB-CB 3.68Å; D232-A236 VanDerWaalsContact O-CB 3.31Å; D232-A236 WeakPolarHBondContact O-CB 3.44Å; D232-A236 PolarHBondContact O-N 3.35Å; D232-A236 VanDerWaalsContact O-N 3.17Å; W233-A236 PolarHBondContact O-N 2.74Å; E234-A236 VanDerWaalsContact C-N 3.27Å; E234-A236 PolarHBondContact O-N 3.26Å; A236-T239 WeakPolarHBondContact CA-OG1 3.41Å; A236-T239 PolarHBondContact O-N 3.5Å; A236-T239 PolarHBondContact O-OG1 3.15Å; A236-A240 WeakPolarHBondContact O-CB 3.44Å; A236-A240 PolarHBondContact O-N 2.95Å; A236-F256 HydrophobicContact CB-CE1 3.93Å; A236-F256 HydrophobicContact CB-CE2 3.97Å; A236-F256 HydrophobicContact CB-CZ 3.29Å; A236-F256 WeakPolarHBondContact O-CE1 3.44Å |
| 237 | S | 90.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | W233 E234 T239 A240 T241 | W233-S237 WeakPolarHBondContact O-CB 3.35Å; W233-S237 PolarHBondContact O-N 3.09Å; E234-S237 WeakPolarHBondContact O-CB 3.37Å; E234-S237 PolarHBondContact O-N 3.37Å; E234-S237 VanDerWaalsContact O-N 3.13Å; S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 2.94Å; S237-A240 PolarHBondContact O-N 3.4Å; S237-T241 WeakPolarHBondContact O-CG2 3.36Å; S237-T241 PolarHBondContact O-N 2.78Å; S237-T241 PolarHBondContact O-OG1 3.12Å |
| 238 | D | 92.3 | Very high | 89.2 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 60% | 0.599 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 174.6 | -76 | -14.1 | 0 | 0 | 0 | 112.5 | E234 T241 R242 | E234-D238 PolarHBondContact O-N 2.98Å; D238-T241 WeakPolarHBondContact CA-OG1 3.25Å; D238-T241 PolarHBondContact O-OG1 3.28Å; D238-R242 VanDerWaalsContact O-CB 3.31Å; D238-R242 WeakPolarHBondContact O-CB 3.5Å; D238-R242 PolarHBondContact O-N 3.46Å |
| 239 | T | 92.2 | Very high | 89 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.8 | -36.3 | 174.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | K223 Q227 S235 A236 S237 R242 C243 | K223-T239 HydrophobicContact CD-CG2 3.69Å; K223-T239 HydrophobicContact CG-CG2 4.05Å; Q227-T239 PolarHBondContact OE1-OG1 3.3Å; S235-T239 WeakPolarHBondContact O-CG2 3.06Å; S235-T239 PolarHBondContact O-N 3.2Å; S235-T239 VanDerWaalsContact O-N 3.13Å; S235-T239 PolarHBondContact O-OG1 2.9Å; A236-T239 WeakPolarHBondContact CA-OG1 3.41Å; A236-T239 PolarHBondContact O-N 3.5Å; A236-T239 PolarHBondContact O-OG1 3.15Å; S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 2.94Å; T239-R242 PolarHBondContact O-N 2.91Å; T239-C243 WeakPolarHBondContact O-CB 3.42Å; T239-C243 PolarHBondContact O-N 3.25Å |
| 240 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M224 A236 S237 C243 L244 A253 F256 Q257 | M224-A240 HydrophobicContact CG-CB 4.39Å; M224-A240 HydrophobicContact SD-CB 3.65Å; A236-A240 WeakPolarHBondContact O-CB 3.44Å; A236-A240 PolarHBondContact O-N 2.95Å; S237-A240 PolarHBondContact O-N 3.4Å; A240-C243 VanDerWaalsContact O-CB 3.29Å; A240-C243 WeakPolarHBondContact O-CB 3.47Å; A240-C243 PolarHBondContact O-N 3.3Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.34Å; A240-A253 HydrophobicContact CB-CB 4.48Å; A240-F256 HydrophobicContact CB-CD1 3.61Å; A240-F256 HydrophobicContact CB-CE1 4.19Å; A240-Q257 HydrophobicContact CB-CG 4.11Å |
| 241 | T | 92.4 | Very high | 89 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.6 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | S237 D238 C243 L244 S245 | S237-T241 WeakPolarHBondContact O-CG2 3.36Å; S237-T241 PolarHBondContact O-N 2.78Å; S237-T241 PolarHBondContact O-OG1 3.12Å; D238-T241 WeakPolarHBondContact CA-OG1 3.25Å; D238-T241 PolarHBondContact O-OG1 3.28Å; T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 PolarHBondContact O-N 3.39Å; T241-L244 PolarHBondContact O-N 2.66Å; T241-S245 PolarHBondContact O-N 3.09Å |
| 242 | R | 91.4 | Very high | 89.1 | Confident | 102 Ų | 102 | 43 Ų | 43 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 171.7 | -176.5 | 176.8 | 174.2 | 172.6 | -3.1 | 111.9 | L220 D238 T239 L244 S245 I246 | L220-R242 HydrophobicContact CD1-CG 4.18Å; D238-R242 VanDerWaalsContact O-CB 3.31Å; D238-R242 WeakPolarHBondContact O-CB 3.5Å; D238-R242 PolarHBondContact O-N 3.46Å; T239-R242 PolarHBondContact O-N 2.91Å; R242-L244 PolarHBondContact O-N 3.38Å; R242-S245 PolarHBondContact O-N 3.36Å; R242-S245 PolarHBondContact O-OG 3.28Å; R242-I246 HydrophobicContact CG-CD1 4.33Å; R242-I246 PolarHBondContact O-N 3.39Å |
| 243 | C | 90.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 176.1 | -163.8 | 0 | 0 | 0 | 0 | 111.1 | V217 L220 T239 A240 T241 S245 I246 D247 C250 A253 | V217-C243 WeakPolarHBondContact CG1-SG 3.42Å; L220-C243 HydrophobicContact CB-CB 4.46Å; T239-C243 WeakPolarHBondContact O-CB 3.42Å; T239-C243 PolarHBondContact O-N 3.25Å; A240-C243 VanDerWaalsContact O-CB 3.29Å; A240-C243 WeakPolarHBondContact O-CB 3.47Å; A240-C243 PolarHBondContact O-N 3.3Å; T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 PolarHBondContact O-N 3.39Å; C243-S245 VanDerWaalsContact C-N 3.3Å; C243-S245 PolarHBondContact O-N 3.11Å; C243-I246 PolarHBondContact O-N 3.42Å; C243-D247 PolarHBondContact O-N 3.2Å; C243-C250 PolarHBondContact SG-SG 2.8Å; C243-A253 HydrophobicContact CB-CB 3.87Å |
| 244 | L | 89.7 | Confident | 89.3 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -25.4 | 178 | -65.3 | 172.6 | 0 | 0 | 0 | 114 | A240 T241 R242 I246 D247 P248 C250 A253 L254 Q257 | A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.34Å; T241-L244 PolarHBondContact O-N 2.66Å; R242-L244 PolarHBondContact O-N 3.38Å; L244-I246 VanDerWaalsContact C-N 3.31Å; L244-D247 WeakPolarHBondContact CA-O 3.28Å; L244-D247 CarbonylContact O-C 3.48Å; L244-P248 WeakPolarHBondContact O-CA 3.42Å; L244-C250 HydrophobicContact CD2-CB 4.4Å; L244-A253 HydrophobicContact CD2-CB 3.9Å; L244-A253 HydrophobicContact CG-CB 3.89Å; L244-L254 HydrophobicContact CD1-CD2 3.86Å; L244-L254 HydrophobicContact CD2-CD2 3.89Å; L244-L254 HydrophobicContact CD2-CG 3.8Å; L244-Q257 HydrophobicContact CD1-CG 4.45Å; L244-Q257 VanDerWaalsContact CD1-NE2 3.35Å |
| 245 | S | 90 | Very high | 89.4 | Confident | 94 Ų | 94 | 33.9 Ų | 33.9 | 66% | 0.657 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -70.3 | -28.6 | 174 | 76.8 | 0 | 0 | 0 | 0 | 113 | T241 R242 C243 | T241-S245 PolarHBondContact O-N 3.09Å; R242-S245 PolarHBondContact O-N 3.36Å; R242-S245 PolarHBondContact O-OG 3.28Å; C243-S245 VanDerWaalsContact C-N 3.3Å; C243-S245 PolarHBondContact O-N 3.11Å |
| 246 | I | 87 | Confident | 89.4 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 34% | 0.338 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -87.7 | -48.1 | 178.2 | -65.3 | 162.3 | 0 | 0 | 0 | 109.6 | P214 V217 L220 R242 C243 L244 | P214-I246 WeakPolarHBondContact O-CD1 3.32Å; V217-I246 HydrophobicContact CG2-CB 4.5Å; V217-I246 HydrophobicContact CG2-CG2 3.74Å; L220-I246 HydrophobicContact CD1-CD1 3.38Å; R242-I246 HydrophobicContact CG-CD1 4.33Å; R242-I246 PolarHBondContact O-N 3.39Å; C243-I246 PolarHBondContact O-N 3.42Å; L244-I246 VanDerWaalsContact C-N 3.31Å |
| 247 | D | 83.9 | Confident | 89.4 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | trans | -132.5 | 99.5 | 178.3 | -174.9 | 4.3 | 0 | 0 | 0 | 110.5 | V217 C243 L244 T249 C250 | V217-D247 HydrophobicContact CG1-CB 4.34Å; V217-D247 HydrophobicContact CG2-CB 3.83Å; C243-D247 PolarHBondContact O-N 3.2Å; L244-D247 WeakPolarHBondContact CA-O 3.28Å; L244-D247 CarbonylContact O-C 3.48Å; D247-T249 PolarHBondContact O-N 3.2Å; D247-T249 VanDerWaalsContact O-N 3.16Å; D247-T249 WeakPolarHBondContact OD1-CB 3.09Å; D247-T249 PolarHBondContact OD1-N 3.46Å; D247-T249 PolarHBondContact OD1-OG1 3.11Å; D247-T249 PolarHBondContact OD2-OG1 3.24Å; D247-C250 HydrophobicContact CB-CB 4.38Å; D247-C250 VanDerWaalsContact O-CB 3.32Å; D247-C250 WeakPolarHBondContact O-CB 3.48Å; D247-C250 PolarHBondContact O-N 2.88Å | ||
| 248 | P | 84.4 | Confident | 89.4 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 55% | 0.545 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17 | 178.5 | 27.6 | -34 | 0 | 0 | 0 | 112.6 | L244 C250 | L244-P248 WeakPolarHBondContact O-CA 3.42Å; P248-C250 VanDerWaalsContact C-N 3.29Å; P248-C250 PolarHBondContact O-N 2.92Å |
| 249 | T | 83.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -0.2 | -179.1 | 72.3 | 0 | 0 | 0 | 0 | 113.3 | D247 I251 E281 | D247-T249 PolarHBondContact O-N 3.2Å; D247-T249 VanDerWaalsContact O-N 3.16Å; D247-T249 WeakPolarHBondContact OD1-CB 3.09Å; D247-T249 PolarHBondContact OD1-N 3.46Å; D247-T249 PolarHBondContact OD1-OG1 3.11Å; D247-T249 PolarHBondContact OD2-OG1 3.24Å; T249-I251 PolarHBondContact O-N 3.49Å; T249-E281 WeakPolarHBondContact CG2-OE2 3.26Å |
| 250 | C | 87.2 | Confident | 89.2 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | trans | -68.9 | 99.3 | -175.1 | 176.8 | 0 | 0 | 0 | 0 | 113.3 | V217 C243 L244 D247 P248 E252 A253 L254 | V217-C250 HydrophobicContact CG1-CB 4.39Å; C243-C250 PolarHBondContact SG-SG 2.8Å; L244-C250 HydrophobicContact CD2-CB 4.4Å; D247-C250 HydrophobicContact CB-CB 4.38Å; D247-C250 VanDerWaalsContact O-CB 3.32Å; D247-C250 WeakPolarHBondContact O-CB 3.48Å; D247-C250 PolarHBondContact O-N 2.88Å; P248-C250 VanDerWaalsContact C-N 3.29Å; P248-C250 PolarHBondContact O-N 2.92Å; C250-E252 PolarHBondContact O-N 3.39Å; C250-A253 HydrophobicContact CB-CB 4.35Å; C250-A253 PolarHBondContact O-N 3.48Å; C250-L254 PolarHBondContact O-N 3.44Å | ||
| 251 | I | 88.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.6 | -45 | 179.8 | -62.7 | 169.5 | 0 | 0 | 0 | 112.6 | Y20 T249 A253 L254 K255 L278 L282 E286 | Y20-I251 HydrophobicContact CD1-CD1 3.96Å; Y20-I251 HydrophobicContact CE1-CB 4.24Å; Y20-I251 HydrophobicContact CE1-CD1 3.6Å; Y20-I251 HydrophobicContact CE1-CG2 4.15Å; T249-I251 PolarHBondContact O-N 3.49Å; I251-A253 PolarHBondContact O-N 3.18Å; I251-L254 PolarHBondContact O-N 3.35Å; I251-K255 HydrophobicContact CG2-CD 4.11Å; I251-K255 HydrophobicContact CG2-CG 4.28Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 2.85Å; I251-L278 HydrophobicContact CB-CD1 4.47Å; I251-L278 HydrophobicContact CG2-CD1 3.87Å; I251-L282 HydrophobicContact CD1-CD2 3.57Å; I251-L282 HydrophobicContact CD1-CG 4.44Å; I251-L282 HydrophobicContact CG1-CD2 4.07Å; I251-L282 HydrophobicContact CG1-CG 4.49Å; I251-L282 HydrophobicContact CG2-CD2 4.07Å; I251-E286 HydrophobicContact CD1-CG 3.9Å |
| 252 | E | 88.2 | Confident | 88.8 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | -175.5 | -72.2 | -67.5 | 125.7 | 0 | 0 | 112.7 | Y20 I221 R225 C250 K255 F256 | Y20-E252 HydrophobicContact CE2-CG 4.23Å; Y20-E252 PolarHBondContact OH-OE1 2.91Å; I221-E252 HydrophobicContact CD1-CB 4.17Å; I221-E252 HydrophobicContact CG1-CB 4.38Å; I221-E252 HydrophobicContact CG2-CB 3.78Å; I221-E252 HydrophobicContact CG2-CG 4.14Å; R225-E252 IonicContact CZ-OE2 3.92Å; R225-E252 IonicContact NE-OE2 2.63Å; R225-E252 IonicContact NH2-OE2 2.7Å; R225-E252 PolarHBondContact NH2-OE2 3.08Å; C250-E252 PolarHBondContact O-N 3.39Å; E252-K255 PolarHBondContact O-N 3.28Å; E252-K255 IonicContact OE1-NZ 3.58Å; E252-K255 PolarHBondContact OE1-NZ 3.01Å; E252-F256 WeakPolarHBondContact O-CB 3.44Å; E252-F256 PolarHBondContact O-N 3.32Å |
| 253 | A | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.1 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A240 C243 L244 C250 I251 F256 Q257 | A240-A253 HydrophobicContact CB-CB 4.48Å; C243-A253 HydrophobicContact CB-CB 3.87Å; L244-A253 HydrophobicContact CD2-CB 3.9Å; L244-A253 HydrophobicContact CG-CB 3.89Å; C250-A253 HydrophobicContact CB-CB 4.35Å; C250-A253 PolarHBondContact O-N 3.48Å; I251-A253 PolarHBondContact O-N 3.18Å; A253-F256 PolarHBondContact O-N 2.9Å; A253-Q257 WeakPolarHBondContact O-CG 3.2Å; A253-Q257 PolarHBondContact O-N 3.32Å |
| 254 | L | 91.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 173.3 | -70.1 | 174.2 | 0 | 0 | 0 | 112 | L244 C250 I251 F256 Q257 I258 K274 E277 L278 E281 | L244-L254 HydrophobicContact CD1-CD2 3.86Å; L244-L254 HydrophobicContact CD2-CD2 3.89Å; L244-L254 HydrophobicContact CD2-CG 3.8Å; C250-L254 PolarHBondContact O-N 3.44Å; I251-L254 PolarHBondContact O-N 3.35Å; L254-F256 VanDerWaalsContact C-N 3.31Å; L254-F256 PolarHBondContact O-N 3.32Å; L254-Q257 PolarHBondContact O-N 2.99Å; L254-I258 WeakPolarHBondContact O-CG1 3.23Å; L254-I258 PolarHBondContact O-N 2.87Å; L254-K274 HydrophobicContact CD2-CD 4.35Å; L254-E277 HydrophobicContact CD2-CB 4.36Å; L254-L278 HydrophobicContact CB-CB 4.19Å; L254-L278 HydrophobicContact CB-CD1 3.81Å; L254-L278 HydrophobicContact CD1-CB 4.31Å; L254-L278 HydrophobicContact CD1-CD1 4.27Å; L254-E281 HydrophobicContact CD1-CB 4.06Å; L254-E281 HydrophobicContact CD1-CG 3.83Å |
| 255 | K | 90.6 | Very high | 88.1 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.5 | -46.7 | 172.8 | -75.2 | 174.1 | 177.8 | 172.7 | 0 | 111 | Y20 I251 E252 I258 L259 L278 V296 | Y20-K255 PolarHBondContact OH-NZ 3.13Å; I251-K255 HydrophobicContact CG2-CD 4.11Å; I251-K255 HydrophobicContact CG2-CG 4.28Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 2.85Å; E252-K255 PolarHBondContact O-N 3.28Å; E252-K255 IonicContact OE1-NZ 3.58Å; E252-K255 PolarHBondContact OE1-NZ 3.01Å; K255-I258 PolarHBondContact O-N 2.87Å; K255-L259 PolarHBondContact O-N 3.42Å; K255-L278 HydrophobicContact CG-CD2 4.33Å; K255-V296 HydrophobicContact CD-CG2 4.2Å; K255-V296 HydrophobicContact CG-CG2 4.19Å |
| 256 | F | 91.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.8 | 178.1 | -89.8 | 0 | 0 | 0 | 112.4 | M224 L228 W233 A236 A240 E252 A253 L254 I258 L259 Y260 | M224-F256 HydrophobicContact CE-CB 3.62Å; M224-F256 HydrophobicContact CE-CD2 4.35Å; M224-F256 HydrophobicContact CE-CG 4.04Å; M224-F256 HydrophobicContact CG-CB 4.33Å; M224-F256 HydrophobicContact CG-CD1 3.92Å; M224-F256 HydrophobicContact CG-CD2 3.82Å; M224-F256 HydrophobicContact CG-CE1 4.24Å; M224-F256 HydrophobicContact CG-CE2 4.13Å; M224-F256 HydrophobicContact CG-CG 3.72Å; M224-F256 HydrophobicContact CG-CZ 4.36Å; M224-F256 HydrophobicContact SD-CB 3.36Å; M224-F256 WeakPolarHBondContact SD-CB 3.41Å; M224-F256 HydrophobicContact SD-CD1 3.67Å; M224-F256 HydrophobicContact SD-CD2 4Å; M224-F256 HydrophobicContact SD-CG 3.37Å; M224-F256 WeakPolarHBondContact SD-CG 3.35Å; L228-F256 HydrophobicContact CB-CE2 4.08Å; L228-F256 HydrophobicContact CD1-CE2 4.04Å; L228-F256 HydrophobicContact CD2-CD2 4.37Å; L228-F256 HydrophobicContact CD2-CE2 4.17Å; L228-F256 HydrophobicContact CG-CE2 4.31Å; W233-F256 HydrophobicContact CE3-CZ 4.38Å; A236-F256 HydrophobicContact CB-CE1 3.93Å; A236-F256 HydrophobicContact CB-CE2 3.97Å; A236-F256 HydrophobicContact CB-CZ 3.29Å; A236-F256 WeakPolarHBondContact O-CE1 3.44Å; A240-F256 HydrophobicContact CB-CD1 3.61Å; A240-F256 HydrophobicContact CB-CE1 4.19Å; E252-F256 WeakPolarHBondContact O-CB 3.44Å; E252-F256 PolarHBondContact O-N 3.32Å; A253-F256 PolarHBondContact O-N 2.9Å; L254-F256 VanDerWaalsContact C-N 3.31Å; L254-F256 PolarHBondContact O-N 3.32Å; F256-I258 VanDerWaalsContact C-N 3.31Å; F256-I258 PolarHBondContact O-N 2.77Å; F256-L259 CarbonylContact O-C 3.58Å; F256-L259 WeakPolarHBondContact O-CA 3.41Å; F256-L259 WeakPolarHBondContact O-CB 3.29Å; F256-L259 PolarHBondContact O-N 2.82Å; F256-L259 VanDerWaalsContact O-N 3.1Å; F256-Y260 WeakPolarHBondContact O-CB 3.41Å; F256-Y260 PolarHBondContact O-N 3.44Å |
| 257 | Q | 90.6 | Very high | 87.6 | Confident | 9 Ų | 9 | 23.8 Ų | 23.8 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 177.5 | -78.5 | -171.8 | -17.9 | 0 | 0 | 112.2 | A240 L244 A253 L254 L259 Y260 F261 K274 | A240-Q257 HydrophobicContact CB-CG 4.11Å; L244-Q257 HydrophobicContact CD1-CG 4.45Å; L244-Q257 VanDerWaalsContact CD1-NE2 3.35Å; A253-Q257 WeakPolarHBondContact O-CG 3.2Å; A253-Q257 PolarHBondContact O-N 3.32Å; L254-Q257 PolarHBondContact O-N 2.99Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-Y260 PolarHBondContact O-N 3.24Å; Q257-F261 HydrophobicContact CB-CD2 4.47Å; Q257-F261 HydrophobicContact CB-CE2 4.27Å; Q257-F261 WeakPolarHBondContact O-CB 2.89Å; Q257-F261 WeakPolarHBondContact O-CD2 3.28Å; Q257-F261 WeakPolarHBondContact O-CG 3.4Å; Q257-F261 PolarHBondContact O-N 3.32Å; Q257-K274 HydrophobicContact CB-CG 4.33Å |
| 258 | I | 90.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -44 | 173.9 | -64.9 | 165.3 | 0 | 0 | 0 | 110.3 | L254 K255 F256 F261 L262 K274 L275 L278 I300 | L254-I258 WeakPolarHBondContact O-CG1 3.23Å; L254-I258 PolarHBondContact O-N 2.87Å; K255-I258 PolarHBondContact O-N 2.87Å; F256-I258 VanDerWaalsContact C-N 3.31Å; F256-I258 PolarHBondContact O-N 2.77Å; I258-F261 PolarHBondContact O-N 3.02Å; I258-L262 HydrophobicContact CG2-CD1 3.69Å; I258-L262 HydrophobicContact CG2-CG 4.32Å; I258-L262 WeakPolarHBondContact O-CB 3.42Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.44Å; I258-L262 PolarHBondContact O-N 2.84Å; I258-K274 HydrophobicContact CG1-CB 3.72Å; I258-L275 HydrophobicContact CD1-CB 4.14Å; I258-L275 HydrophobicContact CD1-CD1 4.17Å; I258-L278 HydrophobicContact CD1-CB 4.11Å; I258-L278 HydrophobicContact CD1-CD2 3.5Å; I258-L278 HydrophobicContact CD1-CG 4.44Å; I258-I300 HydrophobicContact CD1-CD1 3.9Å; I258-I300 HydrophobicContact CG2-CD1 4.01Å; I258-I300 HydrophobicContact CG2-CG1 4.17Å; I258-I300 HydrophobicContact CG2-CG2 4.44Å |
| 259 | L | 89.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 177.1 | -172.3 | 154 | 0 | 0 | 0 | 112 | W233 K255 F256 Q257 L262 C263 I303 L442 Y445 | W233-L259 HydrophobicContact CH2-CD2 3.41Å; W233-L259 VanDerWaalsContact CH2-CD2 3.41Å; W233-L259 HydrophobicContact CZ3-CD2 3.34Å; K255-L259 PolarHBondContact O-N 3.42Å; F256-L259 CarbonylContact O-C 3.58Å; F256-L259 WeakPolarHBondContact O-CA 3.41Å; F256-L259 WeakPolarHBondContact O-CB 3.29Å; F256-L259 PolarHBondContact O-N 2.82Å; F256-L259 VanDerWaalsContact O-N 3.1Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; L259-L262 PolarHBondContact O-N 2.71Å; L259-C263 HydrophobicContact CD2-CB 4.34Å; L259-C263 VanDerWaalsContact O-CB 3.24Å; L259-C263 WeakPolarHBondContact O-CB 3.29Å; L259-C263 PolarHBondContact O-N 3.44Å; L259-I303 HydrophobicContact CB-CD1 4.49Å; L259-I303 HydrophobicContact CG-CD1 4.45Å; L259-L442 HydrophobicContact CD1-CD2 3.44Å; L259-L442 VanDerWaalsContact CD1-CD2 3.44Å; L259-Y445 HydrophobicContact CD1-CD2 3.62Å; L259-Y445 HydrophobicContact CD1-CE2 3.9Å; L259-Y445 HydrophobicContact CD1-CG 4.24Å; L259-Y445 HydrophobicContact CD2-CD2 4.48Å; L259-Y445 HydrophobicContact CD2-CE2 3.95Å; L259-Y445 HydrophobicContact CG-CD2 4.44Å; L259-Y445 HydrophobicContact CG-CE2 4.38Å |
| 260 | Y | 90.3 | Very high | 87.8 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 7% | 0.071 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 174.9 | 171.5 | -94.8 | 0 | 0 | 0 | 111.3 | W233 F256 Q257 L262 Y264 E265 | W233-Y260 HydrophobicContact CB-CD2 4.4Å; W233-Y260 HydrophobicContact CB-CE2 4.28Å; W233-Y260 HydrophobicContact CE3-CD2 4.1Å; F256-Y260 WeakPolarHBondContact O-CB 3.41Å; F256-Y260 PolarHBondContact O-N 3.44Å; Q257-Y260 PolarHBondContact O-N 3.24Å; Y260-L262 VanDerWaalsContact C-N 3.34Å; Y260-L262 PolarHBondContact O-N 2.79Å; Y260-Y264 HydrophobicContact CD2-CD1 4.03Å; Y260-Y264 HydrophobicContact CD2-CG 4.34Å; Y260-Y264 AromaticContact CE2-CD1 3.39Å; Y260-Y264 HydrophobicContact CE2-CD1 3.39Å; Y260-Y264 AromaticContact CE2-CE1 3.99Å; Y260-Y264 HydrophobicContact CE2-CE1 3.99Å; Y260-Y264 HydrophobicContact CE2-CG 4.12Å; Y260-Y264 AromaticContact CZ-CD1 3.89Å; Y260-Y264 WeakPolarHBondContact O-CA 3.46Å; Y260-Y264 WeakPolarHBondContact O-CB 3.42Å; Y260-Y264 PolarHBondContact O-N 2.92Å; Y260-E265 HydrophobicContact CD1-CG 4.41Å; Y260-E265 HydrophobicContact CE1-CG 3.61Å; Y260-E265 WeakPolarHBondContact CE1-OE1 3.4Å; Y260-E265 VanDerWaalsContact CZ-OE1 3.28Å; Y260-E265 PolarHBondContact O-N 2.94Å; Y260-E265 VanDerWaalsContact O-N 3.09Å; Y260-E265 PolarHBondContact OH-OE1 3.23Å |
| 261 | F | 89.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 23.5 Ų | 23.5 | 14% | 0.14 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -65.2 | -35.2 | 178.9 | -71.8 | -51.2 | 0 | 0 | 0 | 112.9 | Q257 I258 E265 G266 N267 A270 A271 K274 | Q257-F261 HydrophobicContact CB-CD2 4.47Å; Q257-F261 HydrophobicContact CB-CE2 4.27Å; Q257-F261 WeakPolarHBondContact O-CB 2.89Å; Q257-F261 WeakPolarHBondContact O-CD2 3.28Å; Q257-F261 WeakPolarHBondContact O-CG 3.4Å; Q257-F261 PolarHBondContact O-N 3.32Å; I258-F261 PolarHBondContact O-N 3.02Å; F261-E265 VanDerWaalsContact CD1-OE2 3.23Å; F261-E265 WeakPolarHBondContact CD1-OE2 3.48Å; F261-E265 VanDerWaalsContact CE1-OE2 3.29Å; F261-E265 WeakPolarHBondContact CE1-OE2 3.22Å; F261-G266 CarbonylContact O-C 2.97Å; F261-G266 VanDerWaalsContact O-CA 3.26Å; F261-G266 WeakPolarHBondContact O-CA 3.34Å; F261-G266 PolarHBondContact O-N 3.48Å; F261-N267 HydrophobicContact CD1-CB 4.46Å; F261-N267 PolarHBondContact O-N 3.19Å; F261-A270 HydrophobicContact CD1-CB 3.67Å; F261-A270 HydrophobicContact CD2-CB 4Å; F261-A270 HydrophobicContact CE1-CB 3.78Å; F261-A270 HydrophobicContact CE2-CB 4.1Å; F261-A270 HydrophobicContact CG-CB 3.81Å; F261-A270 HydrophobicContact CZ-CB 4.01Å; F261-A271 HydrophobicContact CB-CB 3.84Å; F261-K274 HydrophobicContact CD2-CG 4.01Å; F261-K274 HydrophobicContact CE2-CG 3.7Å |
| 262 | L | 87.2 | Confident | 88 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -84.1 | -41.6 | -179.1 | -67.5 | 176.6 | 0 | 0 | 0 | 113.9 | I258 L259 Y260 A271 I300 I303 C304 I310 | I258-L262 HydrophobicContact CG2-CD1 3.69Å; I258-L262 HydrophobicContact CG2-CG 4.32Å; I258-L262 WeakPolarHBondContact O-CB 3.42Å; I258-L262 VanDerWaalsContact O-CG 3.3Å; I258-L262 WeakPolarHBondContact O-CG 3.44Å; I258-L262 PolarHBondContact O-N 2.84Å; L259-L262 PolarHBondContact O-N 2.71Å; Y260-L262 VanDerWaalsContact C-N 3.34Å; Y260-L262 PolarHBondContact O-N 2.79Å; L262-A271 HydrophobicContact CD1-CB 4.42Å; L262-A271 HydrophobicContact CD2-CB 3.57Å; L262-A271 HydrophobicContact CG-CB 3.72Å; L262-I300 HydrophobicContact CD1-CG2 4.31Å; L262-I303 HydrophobicContact CB-CD1 4.39Å; L262-I303 HydrophobicContact CD1-CD1 3.93Å; L262-I303 HydrophobicContact CD1-CG1 3.87Å; L262-C304 HydrophobicContact CD1-CB 4.36Å; L262-I310 HydrophobicContact CD2-CD1 3.86Å |
| 263 | C | 86.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -94.9 | -30.2 | -172.7 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | W233 L259 Y445 A506 P507 G508 | W233-C263 HydrophobicContact CH2-CB 4.36Å; L259-C263 HydrophobicContact CD2-CB 4.34Å; L259-C263 VanDerWaalsContact O-CB 3.24Å; L259-C263 WeakPolarHBondContact O-CB 3.29Å; L259-C263 PolarHBondContact O-N 3.44Å; C263-Y445 HydrophobicContact CB-CE1 4.31Å; C263-A506 HydrophobicContact CB-CB 4.01Å; C263-A506 CarbonylContact O-C 3.54Å; C263-A506 VanDerWaalsContact O-CA 3.31Å; C263-A506 WeakPolarHBondContact O-CA 3.42Å; C263-P507 VanDerWaalsContact O-CD 3.29Å; C263-P507 WeakPolarHBondContact O-CD 3.43Å; C263-P507 VanDerWaalsContact O-N 3.14Å; C263-G508 WeakPolarHBondContact O-CA 3.46Å; C263-G508 PolarHBondContact O-N 3.48Å |
| 264 | Y | 86.3 | Confident | 88.1 | Confident | 74 Ų | 74 | 33 Ų | 33 | 29% | 0.29 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -104.5 | -58.1 | -175.7 | -173.8 | -101.4 | 0 | 0 | 0 | 112.7 | W233 Y260 P507 G508 | W233-Y264 HydrophobicContact CB-CD1 4.11Å; W233-Y264 HydrophobicContact CB-CD2 3.72Å; W233-Y264 HydrophobicContact CB-CE1 4.11Å; W233-Y264 HydrophobicContact CB-CE2 3.74Å; W233-Y264 HydrophobicContact CB-CG 3.92Å; W233-Y264 AromaticContact CD1-CD2 3.43Å; W233-Y264 VanDerWaalsContact CD1-CD2 3.43Å; W233-Y264 AromaticContact CD1-CE2 3.52Å; W233-Y264 AromaticContact CD2-CD2 3.76Å; W233-Y264 HydrophobicContact CD2-CD2 3.76Å; W233-Y264 HydrophobicContact CD2-CG 4.03Å; W233-Y264 HydrophobicContact CE3-CG 4.39Å; W233-Y264 AromaticContact CG-CD2 3.35Å; W233-Y264 HydrophobicContact CG-CD2 3.35Å; W233-Y264 AromaticContact CG-CE2 3.65Å; W233-Y264 HydrophobicContact CG-CE2 3.65Å; W233-Y264 AromaticContact CG-CG 3.84Å; W233-Y264 HydrophobicContact CG-CG 3.84Å; W233-Y264 AromaticContact NE1-CD2 3.83Å; Y260-Y264 HydrophobicContact CD2-CD1 4.03Å; Y260-Y264 HydrophobicContact CD2-CG 4.34Å; Y260-Y264 AromaticContact CE2-CD1 3.39Å; Y260-Y264 HydrophobicContact CE2-CD1 3.39Å; Y260-Y264 AromaticContact CE2-CE1 3.99Å; Y260-Y264 HydrophobicContact CE2-CE1 3.99Å; Y260-Y264 HydrophobicContact CE2-CG 4.12Å; Y260-Y264 AromaticContact CZ-CD1 3.89Å; Y260-Y264 WeakPolarHBondContact O-CA 3.46Å; Y260-Y264 WeakPolarHBondContact O-CB 3.42Å; Y260-Y264 PolarHBondContact O-N 2.92Å; Y264-P507 HydrophobicContact CD2-CG 3.59Å; Y264-P507 HydrophobicContact CE2-CG 4.11Å; Y264-P507 HydrophobicContact CG-CG 4.48Å; Y264-G508 WeakPolarHBondContact O-CA 3.44Å; Y264-G508 PolarHBondContact O-N 3Å |
| 265 | E | 84.1 | Confident | 88.1 | Confident | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -80.2 | -29.6 | 180 | -72.9 | -170 | 174.3 | 0 | 0 | 113.5 | Y260 F261 N267 | Y260-E265 HydrophobicContact CD1-CG 4.41Å; Y260-E265 HydrophobicContact CE1-CG 3.61Å; Y260-E265 WeakPolarHBondContact CE1-OE1 3.4Å; Y260-E265 VanDerWaalsContact CZ-OE1 3.28Å; Y260-E265 PolarHBondContact O-N 2.94Å; Y260-E265 VanDerWaalsContact O-N 3.09Å; Y260-E265 PolarHBondContact OH-OE1 3.23Å; F261-E265 VanDerWaalsContact CD1-OE2 3.23Å; F261-E265 WeakPolarHBondContact CD1-OE2 3.48Å; F261-E265 VanDerWaalsContact CE1-OE2 3.29Å; F261-E265 WeakPolarHBondContact CE1-OE2 3.22Å; E265-N267 VanDerWaalsContact C-N 3.27Å; E265-N267 HydrophobicContact CB-CB 4.34Å; E265-N267 PolarHBondContact O-N 3.24Å |
| 266 | G | 81.2 | Confident | 88.1 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | trans | 70.5 | 19.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F261 T268 | F261-G266 CarbonylContact O-C 2.97Å; F261-G266 VanDerWaalsContact O-CA 3.26Å; F261-G266 WeakPolarHBondContact O-CA 3.34Å; F261-G266 PolarHBondContact O-N 3.48Å; G266-T268 PolarHBondContact O-N 3.12Å | ||
| 267 | N | 84.8 | Confident | 88.1 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | trans | -88.3 | 89.3 | -179.3 | -170.8 | -12.8 | 0 | 0 | 0 | 111.9 | F261 E265 S269 A270 A271 | F261-N267 HydrophobicContact CD1-CB 4.46Å; F261-N267 PolarHBondContact O-N 3.19Å; E265-N267 VanDerWaalsContact C-N 3.27Å; E265-N267 HydrophobicContact CB-CB 4.34Å; E265-N267 PolarHBondContact O-N 3.24Å; N267-S269 VanDerWaalsContact C-N 3.27Å; N267-S269 PolarHBondContact O-N 3.34Å; N267-S269 PolarHBondContact OD1-N 3.28Å; N267-S269 PolarHBondContact OD1-OG 2.92Å; N267-A270 HydrophobicContact CB-CB 4.22Å; N267-A270 PolarHBondContact O-N 3.39Å; N267-A270 PolarHBondContact OD1-N 2.88Å; N267-A271 PolarHBondContact O-N 2.65Å; N267-A271 VanDerWaalsContact O-N 3.11Å | ||
| 268 | T | 82.3 | Confident | 88 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.4 | -33.4 | -180 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | G266 A271 L272 E307 | G266-T268 PolarHBondContact O-N 3.12Å; T268-A271 PolarHBondContact O-N 3.28Å; T268-L272 WeakPolarHBondContact O-CB 3.38Å; T268-L272 PolarHBondContact O-N 3.23Å; T268-E307 HydrophobicContact CG2-CG 4.22Å |
| 269 | S | 86.3 | Confident | 87.9 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -69.3 | -38.2 | -179 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | N267 K273 | N267-S269 VanDerWaalsContact C-N 3.27Å; N267-S269 PolarHBondContact O-N 3.34Å; N267-S269 PolarHBondContact OD1-N 3.28Å; N267-S269 PolarHBondContact OD1-OG 2.92Å; S269-K273 PolarHBondContact O-N 3.45Å |
| 270 | A | 87.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.6 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | F261 N267 L272 K273 K274 | F261-A270 HydrophobicContact CD1-CB 3.67Å; F261-A270 HydrophobicContact CD2-CB 4Å; F261-A270 HydrophobicContact CE1-CB 3.78Å; F261-A270 HydrophobicContact CE2-CB 4.1Å; F261-A270 HydrophobicContact CG-CB 3.81Å; F261-A270 HydrophobicContact CZ-CB 4.01Å; N267-A270 HydrophobicContact CB-CB 4.22Å; N267-A270 PolarHBondContact O-N 3.39Å; N267-A270 PolarHBondContact OD1-N 2.88Å; A270-L272 VanDerWaalsContact C-N 3.32Å; A270-L272 PolarHBondContact O-N 3.46Å; A270-K273 PolarHBondContact O-N 2.99Å; A270-K274 PolarHBondContact O-N 3.16Å; A270-K274 VanDerWaalsContact O-N 3.08Å |
| 271 | A | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F261 L262 N267 T268 K274 L275 I310 | F261-A271 HydrophobicContact CB-CB 3.84Å; L262-A271 HydrophobicContact CD1-CB 4.42Å; L262-A271 HydrophobicContact CD2-CB 3.57Å; L262-A271 HydrophobicContact CG-CB 3.72Å; N267-A271 PolarHBondContact O-N 2.65Å; N267-A271 VanDerWaalsContact O-N 3.11Å; T268-A271 PolarHBondContact O-N 3.28Å; A271-K274 PolarHBondContact O-N 2.84Å; A271-L275 WeakPolarHBondContact O-CB 3.49Å; A271-L275 PolarHBondContact O-N 3.33Å; A271-I310 HydrophobicContact CB-CD1 4.39Å |
| 272 | L | 89.9 | Confident | 87.5 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.8 | -175 | 148.2 | 0 | 0 | 0 | 112.2 | T268 A270 K274 L275 E276 T309 I310 | T268-L272 WeakPolarHBondContact O-CB 3.38Å; T268-L272 PolarHBondContact O-N 3.23Å; A270-L272 VanDerWaalsContact C-N 3.32Å; A270-L272 PolarHBondContact O-N 3.46Å; L272-K274 VanDerWaalsContact C-N 3.33Å; L272-K274 PolarHBondContact O-N 3.35Å; L272-L275 WeakPolarHBondContact O-CB 3.3Å; L272-L275 PolarHBondContact O-N 3.03Å; L272-E276 HydrophobicContact CD2-CG 4.3Å; L272-E276 PolarHBondContact O-N 3.23Å; L272-T309 WeakPolarHBondContact CD1-OG1 3.4Å; L272-I310 HydrophobicContact CB-CG1 4.37Å |
| 273 | K | 91.3 | Very high | 87.4 | Confident | 135 Ų | 135 | 49.3 Ų | 49.3 | 59% | 0.587 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.9 | -44.2 | 176.3 | -70.4 | 177.7 | -178 | 177.3 | 0 | 111.4 | S269 A270 L275 E276 E277 | S269-K273 PolarHBondContact O-N 3.45Å; A270-K273 PolarHBondContact O-N 2.99Å; K273-L275 VanDerWaalsContact C-N 3.34Å; K273-L275 PolarHBondContact O-N 2.97Å; K273-E276 PolarHBondContact O-N 3.05Å; K273-E277 WeakPolarHBondContact O-CG 3.39Å; K273-E277 PolarHBondContact O-N 3.02Å |
| 274 | K | 90.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -31.7 | 176.7 | -67.7 | -49 | -173.5 | 178.3 | 0 | 113.4 | L254 Q257 I258 F261 A270 A271 L272 E277 L278 | L254-K274 HydrophobicContact CD2-CD 4.35Å; Q257-K274 HydrophobicContact CB-CG 4.33Å; I258-K274 HydrophobicContact CG1-CB 3.72Å; F261-K274 HydrophobicContact CD2-CG 4.01Å; F261-K274 HydrophobicContact CE2-CG 3.7Å; A270-K274 PolarHBondContact O-N 3.16Å; A270-K274 VanDerWaalsContact O-N 3.08Å; A271-K274 PolarHBondContact O-N 2.84Å; L272-K274 VanDerWaalsContact C-N 3.33Å; L272-K274 PolarHBondContact O-N 3.35Å; K274-E277 WeakPolarHBondContact CD-OE2 3.15Å; K274-E277 IonicContact NZ-OE1 3.44Å; K274-E277 PolarHBondContact NZ-OE1 3.37Å; K274-E277 IonicContact NZ-OE2 3.42Å; K274-E277 PolarHBondContact NZ-OE2 3.47Å; K274-E277 PolarHBondContact O-N 3.38Å; K274-L278 VanDerWaalsContact O-CB 3.29Å; K274-L278 WeakPolarHBondContact O-CB 3.35Å; K274-L278 PolarHBondContact O-N 2.85Å |
| 275 | L | 91.1 | Very high | 87 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 172.7 | -179.4 | 59 | 0 | 0 | 0 | 112.1 | I258 A271 L272 K273 L278 K279 I300 I310 K313 V314 L317 | I258-L275 HydrophobicContact CD1-CB 4.14Å; I258-L275 HydrophobicContact CD1-CD1 4.17Å; A271-L275 WeakPolarHBondContact O-CB 3.49Å; A271-L275 PolarHBondContact O-N 3.33Å; L272-L275 WeakPolarHBondContact O-CB 3.3Å; L272-L275 PolarHBondContact O-N 3.03Å; K273-L275 VanDerWaalsContact C-N 3.34Å; K273-L275 PolarHBondContact O-N 2.97Å; L275-L278 HydrophobicContact CD1-CD2 4.47Å; L275-L278 PolarHBondContact O-N 3.16Å; L275-K279 PolarHBondContact O-N 3.1Å; L275-I300 HydrophobicContact CD1-CD1 3.59Å; L275-I310 HydrophobicContact CD2-CG2 3.99Å; L275-K313 HydrophobicContact CD2-CB 3.59Å; L275-K313 HydrophobicContact CG-CB 4.18Å; L275-V314 HydrophobicContact CD2-CG2 4Å; L275-L317 HydrophobicContact CD1-CD1 3.73Å |
| 276 | E | 90.3 | Very high | 86.8 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 174.3 | -70.2 | -175.9 | 164.8 | 0 | 0 | 112.5 | L272 K273 K280 | L272-E276 HydrophobicContact CD2-CG 4.3Å; L272-E276 PolarHBondContact O-N 3.23Å; K273-E276 PolarHBondContact O-N 3.05Å; E276-K280 WeakPolarHBondContact O-CG 3.16Å; E276-K280 PolarHBondContact O-N 2.88Å |
| 277 | E | 90.3 | Very high | 86.8 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 36% | 0.355 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 169.9 | -70.9 | 172.4 | -157.4 | 0 | 0 | 110.4 | L254 K273 K274 K279 K280 E281 | L254-E277 HydrophobicContact CD2-CB 4.36Å; K273-E277 WeakPolarHBondContact O-CG 3.39Å; K273-E277 PolarHBondContact O-N 3.02Å; K274-E277 WeakPolarHBondContact CD-OE2 3.15Å; K274-E277 IonicContact NZ-OE1 3.44Å; K274-E277 PolarHBondContact NZ-OE1 3.37Å; K274-E277 IonicContact NZ-OE2 3.42Å; K274-E277 PolarHBondContact NZ-OE2 3.47Å; K274-E277 PolarHBondContact O-N 3.38Å; E277-K279 VanDerWaalsContact C-N 3.29Å; E277-K279 PolarHBondContact O-N 3.15Å; E277-K280 PolarHBondContact O-N 2.71Å; E277-K280 VanDerWaalsContact O-N 3.08Å; E277-E281 WeakPolarHBondContact O-CG 3.36Å; E277-E281 PolarHBondContact O-N 2.91Å |
| 278 | L | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.8 | -41.8 | 178.5 | 178.3 | 64.1 | 0 | 0 | 0 | 112.4 | I251 L254 K255 I258 K274 L275 E281 L282 V296 I300 | I251-L278 HydrophobicContact CB-CD1 4.47Å; I251-L278 HydrophobicContact CG2-CD1 3.87Å; L254-L278 HydrophobicContact CB-CB 4.19Å; L254-L278 HydrophobicContact CB-CD1 3.81Å; L254-L278 HydrophobicContact CD1-CB 4.31Å; L254-L278 HydrophobicContact CD1-CD1 4.27Å; K255-L278 HydrophobicContact CG-CD2 4.33Å; I258-L278 HydrophobicContact CD1-CB 4.11Å; I258-L278 HydrophobicContact CD1-CD2 3.5Å; I258-L278 HydrophobicContact CD1-CG 4.44Å; K274-L278 VanDerWaalsContact O-CB 3.29Å; K274-L278 WeakPolarHBondContact O-CB 3.35Å; K274-L278 PolarHBondContact O-N 2.85Å; L275-L278 HydrophobicContact CD1-CD2 4.47Å; L275-L278 PolarHBondContact O-N 3.16Å; L278-E281 PolarHBondContact O-N 2.9Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CG-CD1 3.84Å; L278-L282 HydrophobicContact CG-CG 4.39Å; L278-L282 VanDerWaalsContact O-CB 3.28Å; L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 VanDerWaalsContact O-CG 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.01Å; L278-V296 HydrophobicContact CD2-CG1 3.56Å; L278-V296 HydrophobicContact CD2-CG2 4.42Å; L278-I300 HydrophobicContact CD2-CD1 4.28Å |
| 279 | K | 88.6 | Confident | 86.4 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.5 | -178.9 | 179.4 | -179.5 | -167 | 0 | 111.7 | L275 E277 L282 E283 E316 L317 | L275-K279 PolarHBondContact O-N 3.1Å; E277-K279 VanDerWaalsContact C-N 3.29Å; E277-K279 PolarHBondContact O-N 3.15Å; K279-L282 PolarHBondContact O-N 3.18Å; K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 WeakPolarHBondContact CG-OE1 3.32Å; K279-E283 VanDerWaalsContact O-CG 3.3Å; K279-E283 WeakPolarHBondContact O-CG 3.48Å; K279-E283 PolarHBondContact O-N 3.28Å; K279-E283 VanDerWaalsContact O-N 3.1Å; K279-E316 IonicContact NZ-OE2 3.73Å; K279-E316 PolarHBondContact NZ-OE2 2.82Å; K279-L317 HydrophobicContact CB-CD2 3.94Å; K279-L317 HydrophobicContact CD-CD2 4.4Å; K279-L317 HydrophobicContact CG-CD2 3.77Å |
| 280 | K | 88.3 | Confident | 86.3 | Confident | 125 Ų | 125 | 46.4 Ų | 46.4 | 54% | 0.543 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.3 | -70.4 | 172.2 | -174 | 171.9 | 0 | 111.1 | E276 E277 E283 I284 | E276-K280 WeakPolarHBondContact O-CG 3.16Å; E276-K280 PolarHBondContact O-N 2.88Å; E277-K280 PolarHBondContact O-N 2.71Å; E277-K280 VanDerWaalsContact O-N 3.08Å; K280-E283 WeakPolarHBondContact O-CB 3.24Å; K280-E283 PolarHBondContact O-N 3.01Å; K280-I284 VanDerWaalsContact O-CG1 3.3Å; K280-I284 WeakPolarHBondContact O-CG1 3.02Å; K280-I284 PolarHBondContact O-N 3.4Å; K280-I284 VanDerWaalsContact O-N 3.11Å |
| 281 | E | 86.7 | Confident | 86.1 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | -179.9 | -63.3 | -48.1 | 141 | 0 | 0 | 111.9 | T249 L254 E277 L278 E283 I284 S285 | T249-E281 WeakPolarHBondContact CG2-OE2 3.26Å; L254-E281 HydrophobicContact CD1-CB 4.06Å; L254-E281 HydrophobicContact CD1-CG 3.83Å; E277-E281 WeakPolarHBondContact O-CG 3.36Å; E277-E281 PolarHBondContact O-N 2.91Å; L278-E281 PolarHBondContact O-N 2.9Å; E281-E283 VanDerWaalsContact C-N 3.3Å; E281-E283 PolarHBondContact O-N 3.25Å; E281-I284 PolarHBondContact O-N 2.79Å; E281-S285 WeakPolarHBondContact O-CB 3.43Å; E281-S285 PolarHBondContact O-N 2.91Å; E281-S285 PolarHBondContact O-OG 3.33Å |
| 282 | L | 86.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 172.7 | -81 | 166.3 | 0 | 0 | 0 | 112.3 | I251 L278 K279 I284 E286 Q292 Y293 V296 L317 | I251-L282 HydrophobicContact CD1-CD2 3.57Å; I251-L282 HydrophobicContact CD1-CG 4.44Å; I251-L282 HydrophobicContact CG1-CD2 4.07Å; I251-L282 HydrophobicContact CG1-CG 4.49Å; I251-L282 HydrophobicContact CG2-CD2 4.07Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CG-CD1 3.84Å; L278-L282 HydrophobicContact CG-CG 4.39Å; L278-L282 VanDerWaalsContact O-CB 3.28Å; L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 VanDerWaalsContact O-CG 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 3.01Å; K279-L282 PolarHBondContact O-N 3.18Å; L282-I284 VanDerWaalsContact C-N 3.35Å; L282-E286 CarbonylContact O-C 3.2Å; L282-E286 WeakPolarHBondContact O-CA 3.35Å; L282-E286 PolarHBondContact O-N 2.89Å; L282-Q292 HydrophobicContact CD2-CB 4.33Å; L282-Y293 VanDerWaalsContact C-OH 3.23Å; L282-Y293 HydrophobicContact CB-CE1 3.87Å; L282-Y293 HydrophobicContact CD1-CD1 4.44Å; L282-Y293 HydrophobicContact CD1-CE1 4.39Å; L282-Y293 PolarHBondContact O-OH 3.46Å; L282-Y293 VanDerWaalsContact O-OH 3.06Å; L282-V296 HydrophobicContact CD1-CG2 4.31Å; L282-L317 HydrophobicContact CD1-CD2 4.14Å |
| 283 | E | 85.2 | Confident | 85.8 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.2 | -37 | 177 | -72.3 | 170.1 | -161.3 | 0 | 0 | 112.6 | K279 K280 E281 Y293 K320 | K279-E283 WeakPolarHBondContact CE-OE1 3.38Å; K279-E283 WeakPolarHBondContact CG-OE1 3.32Å; K279-E283 VanDerWaalsContact O-CG 3.3Å; K279-E283 WeakPolarHBondContact O-CG 3.48Å; K279-E283 PolarHBondContact O-N 3.28Å; K279-E283 VanDerWaalsContact O-N 3.1Å; K280-E283 WeakPolarHBondContact O-CB 3.24Å; K280-E283 PolarHBondContact O-N 3.01Å; E281-E283 VanDerWaalsContact C-N 3.3Å; E281-E283 PolarHBondContact O-N 3.25Å; E283-Y293 WeakPolarHBondContact CA-OH 3.49Å; E283-Y293 PolarHBondContact N-OH 3.42Å; E283-K320 VanDerWaalsContact CG-NZ 3.28Å; E283-K320 IonicContact OE1-NZ 2.77Å; E283-K320 PolarHBondContact OE1-NZ 3.4Å; E283-K320 IonicContact OE2-NZ 2.76Å |
| 284 | I | 84 | Confident | 85.6 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 56% | 0.564 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -74.5 | -43.3 | 179 | -67.3 | 164.9 | 0 | 0 | 0 | 110.9 | K280 E281 L282 | K280-I284 VanDerWaalsContact O-CG1 3.3Å; K280-I284 WeakPolarHBondContact O-CG1 3.02Å; K280-I284 PolarHBondContact O-N 3.4Å; K280-I284 VanDerWaalsContact O-N 3.11Å; E281-I284 PolarHBondContact O-N 2.79Å; L282-I284 VanDerWaalsContact C-N 3.35Å |
| 285 | S | 79.8 | Confident | 85.4 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -102.9 | -24.8 | -161.5 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | H22 H23 E281 | H22-S285 WeakPolarHBondContact CB-O 3.29Å; H22-S285 PolarHBondContact CD2-O 3.29Å; H23-S285 WeakPolarHBondContact CE1-CB 3.29Å; H23-S285 PolarHBondContact CE1-OG 2.96Å; H23-S285 PolarHBondContact ND1-O 3.41Å; E281-S285 WeakPolarHBondContact O-CB 3.43Å; E281-S285 PolarHBondContact O-N 2.91Å; E281-S285 PolarHBondContact O-OG 3.33Å |
| 286 | E | 79.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -143.3 | 64.5 | 177.5 | -70.1 | -64.5 | 158.1 | 0 | 0 | 111.2 | Y20 H22 H23 I251 L282 K288 A289 Y293 | Y20-E286 VanDerWaalsContact C-OE1 3.24Å; Y20-E286 WeakPolarHBondContact CA-OE1 3.4Å; Y20-E286 HydrophobicContact CD1-CG 4Å; H22-E286 VanDerWaalsContact CB-CD 3.47Å; H22-E286 WeakPolarHBondContact CB-OE2 3.43Å; H22-E286 PolarHBondContact N-OE1 3.15Å; H22-E286 VanDerWaalsContact N-OE1 3.15Å; H22-E286 PolarHBondContact N-OE2 3.22Å; H22-E286 VanDerWaalsContact N-OE2 3.12Å; H23-E286 IonicContact CG-OE1 2.62Å; H23-E286 PolarHBondContact N-OE1 2.97Å; H23-E286 IonicContact ND1-OE1 2.58Å; H23-E286 PolarHBondContact ND1-OE1 2.85Å; I251-E286 HydrophobicContact CD1-CG 3.9Å; L282-E286 CarbonylContact O-C 3.2Å; L282-E286 WeakPolarHBondContact O-CA 3.35Å; L282-E286 PolarHBondContact O-N 2.89Å; E286-K288 PolarHBondContact O-N 3.27Å; E286-A289 HydrophobicContact CB-CB 3.91Å; E286-A289 HydrophobicContact CG-CB 4.4Å; E286-A289 PolarHBondContact O-N 3.05Å; E286-Y293 VanDerWaalsContact O-CE2 3.32Å; E286-Y293 WeakPolarHBondContact O-CE2 3.27Å | ||
| 287 | P | 80.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 34% | 0.338 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.6 | -174.4 | 24.9 | -34.3 | 0 | 0 | 0 | 113.8 | L324 | P287-L324 WeakPolarHBondContact O-CD1 3.03Å; P287-L324 WeakPolarHBondContact O-CD2 3.28Å |
| 288 | K | 79 | Confident | 85.2 | Confident | 108 Ų | 108 | 40.1 Ų | 40.1 | 47% | 0.47 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -8.6 | -175.6 | -65.6 | -179.3 | -178.3 | 173.3 | 0 | 114.4 | E52 E286 S290 | E52-K288 IonicContact OE2-NZ 3.26Å; E286-K288 PolarHBondContact O-N 3.27Å; K288-S290 PolarHBondContact O-N 3.23Å |
| 289 | A | 79.1 | Confident | 85.2 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | trans | -83.4 | 79 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E286 N291 Q292 Y293 | E286-A289 HydrophobicContact CB-CB 3.91Å; E286-A289 HydrophobicContact CG-CB 4.4Å; E286-A289 PolarHBondContact O-N 3.05Å; A289-N291 PolarHBondContact O-N 2.96Å; A289-N291 VanDerWaalsContact O-N 3.15Å; A289-Q292 HydrophobicContact CB-CB 4.34Å; A289-Q292 HydrophobicContact CB-CG 4.08Å; A289-Q292 PolarHBondContact O-N 3.34Å; A289-Y293 WeakPolarHBondContact O-CD2 3.33Å | ||
| 290 | S | 84.2 | Confident | 85.3 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.7 | -33.5 | -178.6 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | K288 Q292 Y293 S294 T325 | K288-S290 PolarHBondContact O-N 3.23Å; S290-Q292 VanDerWaalsContact C-N 3.32Å; S290-Q292 PolarHBondContact O-N 3.14Å; S290-Y293 PolarHBondContact O-N 3.21Å; S290-S294 PolarHBondContact O-N 3.02Å; S290-S294 VanDerWaalsContact O-N 3.08Å; S290-T325 WeakPolarHBondContact CB-OG1 3.5Å; S290-T325 WeakPolarHBondContact OG-CG2 3.49Å; S290-T325 PolarHBondContact OG-OG1 3.09Å |
| 291 | N | 84.2 | Confident | 85.3 | Confident | 109 Ų | 109 | 33 Ų | 33 | 58% | 0.583 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -59.1 | -40.1 | 176.8 | -61 | 2.2 | 0 | 0 | 0 | 112.3 | A289 S294 S295 Y331 | A289-N291 PolarHBondContact O-N 2.96Å; A289-N291 VanDerWaalsContact O-N 3.15Å; N291-S294 PolarHBondContact O-N 3.49Å; N291-S295 WeakPolarHBondContact O-CB 3.45Å; N291-S295 PolarHBondContact O-N 2.81Å; N291-S295 PolarHBondContact O-OG 3.15Å; N291-Y331 PolarHBondContact OD1-OH 3.45Å |
| 292 | Q | 83.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.3 | -46.1 | -178.2 | -67.5 | -63.3 | -17.6 | 0 | 0 | 110.8 | G19 Y20 L282 A289 S290 S294 S295 V296 | G19-Q292 PolarHBondContact O-NE2 2.81Å; Y20-Q292 HydrophobicContact CD1-CG 4.18Å; Y20-Q292 HydrophobicContact CE1-CG 3.83Å; Y20-Q292 PolarHBondContact OH-OE1 3Å; L282-Q292 HydrophobicContact CD2-CB 4.33Å; A289-Q292 HydrophobicContact CB-CB 4.34Å; A289-Q292 HydrophobicContact CB-CG 4.08Å; A289-Q292 PolarHBondContact O-N 3.34Å; S290-Q292 VanDerWaalsContact C-N 3.32Å; S290-Q292 PolarHBondContact O-N 3.14Å; Q292-S294 VanDerWaalsContact C-N 3.29Å; Q292-S294 PolarHBondContact O-N 3.47Å; Q292-S295 PolarHBondContact O-N 2.86Å; Q292-S295 PolarHBondContact O-OG 3.02Å; Q292-V296 WeakPolarHBondContact O-CB 3.44Å; Q292-V296 VanDerWaalsContact O-CG2 3.28Å; Q292-V296 WeakPolarHBondContact O-CG2 3.46Å; Q292-V296 PolarHBondContact O-N 3.36Å |
| 293 | Y | 88.2 | Confident | 85.3 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.8 | -43.5 | 174.2 | -72.6 | -80.5 | 0 | 0 | 0 | 112.3 | L282 E283 E286 A289 S290 S297 L317 K320 L324 | L282-Y293 VanDerWaalsContact C-OH 3.23Å; L282-Y293 HydrophobicContact CB-CE1 3.87Å; L282-Y293 HydrophobicContact CD1-CD1 4.44Å; L282-Y293 HydrophobicContact CD1-CE1 4.39Å; L282-Y293 PolarHBondContact O-OH 3.46Å; L282-Y293 VanDerWaalsContact O-OH 3.06Å; E283-Y293 WeakPolarHBondContact CA-OH 3.49Å; E283-Y293 PolarHBondContact N-OH 3.42Å; E286-Y293 VanDerWaalsContact O-CE2 3.32Å; E286-Y293 WeakPolarHBondContact O-CE2 3.27Å; A289-Y293 WeakPolarHBondContact O-CD2 3.33Å; S290-Y293 PolarHBondContact O-N 3.21Å; Y293-S297 VanDerWaalsContact O-CB 3.3Å; Y293-S297 WeakPolarHBondContact O-CB 3.27Å; Y293-S297 PolarHBondContact O-N 2.75Å; Y293-S297 PolarHBondContact O-OG 3.28Å; Y293-L317 HydrophobicContact CD1-CD2 3.85Å; Y293-L317 HydrophobicContact CE1-CD2 4.1Å; Y293-K320 HydrophobicContact CD1-CB 4.16Å; Y293-K320 HydrophobicContact CE1-CB 4.38Å; Y293-K320 HydrophobicContact CE1-CD 4.1Å; Y293-K320 HydrophobicContact CG-CB 4.49Å; Y293-L324 HydrophobicContact CD2-CD1 3.96Å; Y293-L324 HydrophobicContact CE2-CD1 3.99Å |
| 294 | S | 87.4 | Confident | 85.3 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.2 | -39 | 178.9 | -162.4 | 0 | 0 | 0 | 0 | 113.3 | S290 N291 Q292 S297 K298 Y331 N334 | S290-S294 PolarHBondContact O-N 3.02Å; S290-S294 VanDerWaalsContact O-N 3.08Å; N291-S294 PolarHBondContact O-N 3.49Å; Q292-S294 VanDerWaalsContact C-N 3.29Å; Q292-S294 PolarHBondContact O-N 3.47Å; S294-S297 WeakPolarHBondContact CA-OG 3.24Å; S294-S297 PolarHBondContact O-N 2.81Å; S294-S297 PolarHBondContact O-OG 2.92Å; S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.45Å; S294-K298 PolarHBondContact O-N 2.8Å; S294-Y331 VanDerWaalsContact CB-CD1 3.47Å; S294-Y331 VanDerWaalsContact CB-CE1 3.42Å; S294-Y331 WeakPolarHBondContact OG-CD1 3.5Å; S294-Y331 WeakPolarHBondContact OG-CE1 3.42Å; S294-N334 PolarHBondContact OG-ND2 2.96Å; S294-N334 VanDerWaalsContact OG-ND2 3.08Å |
| 295 | S | 85.8 | Confident | 85 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 27% | 0.273 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.4 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | N291 Q292 K298 L299 | N291-S295 WeakPolarHBondContact O-CB 3.45Å; N291-S295 PolarHBondContact O-N 2.81Å; N291-S295 PolarHBondContact O-OG 3.15Å; Q292-S295 PolarHBondContact O-N 2.86Å; Q292-S295 PolarHBondContact O-OG 3.02Å; S295-K298 PolarHBondContact O-N 2.95Å; S295-L299 WeakPolarHBondContact O-CB 3.45Å; S295-L299 PolarHBondContact O-N 3.42Å |
| 296 | V | 88.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | K255 L278 L282 Q292 K298 L299 I300 L317 | K255-V296 HydrophobicContact CD-CG2 4.2Å; K255-V296 HydrophobicContact CG-CG2 4.19Å; L278-V296 HydrophobicContact CD2-CG1 3.56Å; L278-V296 HydrophobicContact CD2-CG2 4.42Å; L282-V296 HydrophobicContact CD1-CG2 4.31Å; Q292-V296 WeakPolarHBondContact O-CB 3.44Å; Q292-V296 VanDerWaalsContact O-CG2 3.28Å; Q292-V296 WeakPolarHBondContact O-CG2 3.46Å; Q292-V296 PolarHBondContact O-N 3.36Å; V296-K298 VanDerWaalsContact C-N 3.33Å; V296-K298 PolarHBondContact O-N 3.3Å; V296-L299 PolarHBondContact O-N 3.38Å; V296-I300 HydrophobicContact CG1-CD1 3.6Å; V296-I300 HydrophobicContact CG1-CG1 4.38Å; V296-I300 WeakPolarHBondContact O-CB 3.36Å; V296-I300 WeakPolarHBondContact O-CG1 3.49Å; V296-I300 PolarHBondContact O-N 3.39Å; V296-L317 HydrophobicContact CG1-CD1 3.9Å |
| 297 | S | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | -178.1 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | Y293 S294 S301 V314 | Y293-S297 VanDerWaalsContact O-CB 3.3Å; Y293-S297 WeakPolarHBondContact O-CB 3.27Å; Y293-S297 PolarHBondContact O-N 2.75Å; Y293-S297 PolarHBondContact O-OG 3.28Å; S294-S297 WeakPolarHBondContact CA-OG 3.24Å; S294-S297 PolarHBondContact O-N 2.81Å; S294-S297 PolarHBondContact O-OG 2.92Å; S297-S301 WeakPolarHBondContact O-CB 3.46Å; S297-S301 PolarHBondContact O-N 3.46Å; S297-S301 PolarHBondContact O-OG 3.46Å; S297-V314 VanDerWaalsContact O-CG1 3.26Å; S297-V314 WeakPolarHBondContact O-CG1 3.22Å |
| 298 | K | 89.8 | Confident | 85.3 | Confident | 81 Ų | 81 | 29.3 Ų | 29.3 | 35% | 0.352 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.6 | -56.7 | 175.4 | -172.9 | -177 | 176.1 | -158.8 | 0 | 111.1 | S294 S295 V296 I300 S301 L302 E446 | S294-K298 VanDerWaalsContact O-CB 3.24Å; S294-K298 WeakPolarHBondContact O-CB 3.45Å; S294-K298 PolarHBondContact O-N 2.8Å; S295-K298 PolarHBondContact O-N 2.95Å; V296-K298 VanDerWaalsContact C-N 3.33Å; V296-K298 PolarHBondContact O-N 3.3Å; K298-I300 PolarHBondContact O-N 3.22Å; K298-S301 PolarHBondContact O-N 3.1Å; K298-S301 PolarHBondContact O-OG 3.02Å; K298-L302 HydrophobicContact CG-CD1 4.31Å; K298-L302 WeakPolarHBondContact O-CG 3.49Å; K298-L302 PolarHBondContact O-N 3.46Å; K298-E446 IonicContact NZ-OE2 3.66Å; K298-E446 PolarHBondContact NZ-OE2 3.42Å |
| 299 | L | 88.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.5 | -52.8 | -177.9 | 176.8 | 69.4 | 0 | 0 | 0 | 111.9 | S295 V296 S301 L302 I303 L442 E446 | S295-L299 WeakPolarHBondContact O-CB 3.45Å; S295-L299 PolarHBondContact O-N 3.42Å; V296-L299 PolarHBondContact O-N 3.38Å; L299-S301 VanDerWaalsContact C-N 3.33Å; L299-S301 PolarHBondContact O-N 2.99Å; L299-L302 PolarHBondContact O-N 2.99Å; L299-I303 WeakPolarHBondContact O-CG1 3.38Å; L299-I303 PolarHBondContact O-N 3.35Å; L299-L442 HydrophobicContact CD2-CB 4.44Å; L299-L442 HydrophobicContact CD2-CD2 3.7Å; L299-E446 HydrophobicContact CB-CG 4.44Å; L299-E446 HydrophobicContact CD1-CG 3.83Å |
| 300 | I | 90.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | -174.9 | -60.7 | 176.2 | 0 | 0 | 0 | 110.8 | I258 L262 L275 L278 V296 K298 L302 I303 C304 I310 V314 | I258-I300 HydrophobicContact CD1-CD1 3.9Å; I258-I300 HydrophobicContact CG2-CD1 4.01Å; I258-I300 HydrophobicContact CG2-CG1 4.17Å; I258-I300 HydrophobicContact CG2-CG2 4.44Å; L262-I300 HydrophobicContact CD1-CG2 4.31Å; L275-I300 HydrophobicContact CD1-CD1 3.59Å; L278-I300 HydrophobicContact CD2-CD1 4.28Å; V296-I300 HydrophobicContact CG1-CD1 3.6Å; V296-I300 HydrophobicContact CG1-CG1 4.38Å; V296-I300 WeakPolarHBondContact O-CB 3.36Å; V296-I300 WeakPolarHBondContact O-CG1 3.49Å; V296-I300 PolarHBondContact O-N 3.39Å; K298-I300 PolarHBondContact O-N 3.22Å; I300-L302 PolarHBondContact O-N 3.14Å; I300-I303 PolarHBondContact O-N 3.31Å; I300-C304 VanDerWaalsContact O-CB 3.27Å; I300-C304 WeakPolarHBondContact O-CB 3.46Å; I300-C304 PolarHBondContact O-N 2.79Å; I300-I310 HydrophobicContact CG2-CG2 3.84Å; I300-V314 HydrophobicContact CB-CG2 3.91Å; I300-V314 HydrophobicContact CG2-CG2 3.49Å; I300-V314 VanDerWaalsContact CG2-CG2 3.49Å |
| 301 | S | 89.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -29.3 | 177.9 | 75.9 | 0 | 0 | 0 | 0 | 113.5 | S297 K298 L299 | S297-S301 WeakPolarHBondContact O-CB 3.46Å; S297-S301 PolarHBondContact O-N 3.46Å; S297-S301 PolarHBondContact O-OG 3.46Å; K298-S301 PolarHBondContact O-N 3.1Å; K298-S301 PolarHBondContact O-OG 3.02Å; L299-S301 VanDerWaalsContact C-N 3.33Å; L299-S301 PolarHBondContact O-N 2.99Å |
| 302 | L | 86.8 | Confident | 86.7 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -82 | -28.2 | -179.1 | -61.8 | 173.2 | 0 | 0 | 0 | 113.1 | K298 L299 I300 | K298-L302 HydrophobicContact CG-CD1 4.31Å; K298-L302 WeakPolarHBondContact O-CG 3.49Å; K298-L302 PolarHBondContact O-N 3.46Å; L299-L302 PolarHBondContact O-N 2.99Å; I300-L302 PolarHBondContact O-N 3.14Å |
| 303 | I | 86.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -101.8 | -15.7 | -174.4 | 63.7 | 175.9 | 0 | 0 | 0 | 114 | L259 L262 L299 I300 G305 Y445 P450 | L259-I303 HydrophobicContact CB-CD1 4.49Å; L259-I303 HydrophobicContact CG-CD1 4.45Å; L262-I303 HydrophobicContact CB-CD1 4.39Å; L262-I303 HydrophobicContact CD1-CD1 3.93Å; L262-I303 HydrophobicContact CD1-CG1 3.87Å; L299-I303 WeakPolarHBondContact O-CG1 3.38Å; L299-I303 PolarHBondContact O-N 3.35Å; I300-I303 PolarHBondContact O-N 3.31Å; I303-G305 PolarHBondContact O-N 2.85Å; I303-G305 VanDerWaalsContact O-N 3.1Å; I303-Y445 HydrophobicContact CG2-CD1 4.32Å; I303-P450 HydrophobicContact CG2-CG 4.36Å |
| 304 | C | 84.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -73.4 | 0.2 | -171.3 | 71 | 0 | 0 | 0 | 0 | 115.7 | L262 I300 R306 E307 I310 | L262-C304 HydrophobicContact CD1-CB 4.36Å; I300-C304 VanDerWaalsContact O-CB 3.27Å; I300-C304 WeakPolarHBondContact O-CB 3.46Å; I300-C304 PolarHBondContact O-N 2.79Å; C304-R306 PolarHBondContact O-N 3.31Å; C304-R306 VanDerWaalsContact O-N 3.17Å; C304-E307 WeakPolarHBondContact O-CB 3.14Å; C304-E307 PolarHBondContact O-N 2.95Å; C304-I310 HydrophobicContact CB-CB 4.38Å; C304-I310 HydrophobicContact CB-CG2 3.62Å |
| 305 | G | 77.8 | Confident | 87.3 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 38% | 0.381 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 24.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I303 E307 | I303-G305 PolarHBondContact O-N 2.85Å; I303-G305 VanDerWaalsContact O-N 3.1Å; G305-E307 VanDerWaalsContact C-N 3.29Å; G305-E307 PolarHBondContact O-N 3.47Å |
| 306 | R | 81.2 | Confident | 87.6 | Confident | 29 Ų | 29 | 29.4 Ų | 29.4 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 29.8 | -175 | -58.2 | -173.9 | -179 | -177.6 | -1.8 | 115.6 | C304 L311 M341 D451 F623 Y625 | C304-R306 PolarHBondContact O-N 3.31Å; C304-R306 VanDerWaalsContact O-N 3.17Å; R306-L311 HydrophobicContact CB-CD1 4.19Å; R306-M341 HydrophobicContact CG-CB 4.45Å; R306-D451 IonicContact CZ-OD1 3.44Å; R306-D451 IonicContact CZ-OD2 2.8Å; R306-D451 IonicContact NE-OD1 2.89Å; R306-D451 PolarHBondContact NE-OD1 3.36Å; R306-D451 IonicContact NE-OD2 2.76Å; R306-D451 IonicContact NH2-OD1 3.03Å; R306-D451 PolarHBondContact NH2-OD1 2.93Å; R306-D451 IonicContact NH2-OD2 2.88Å; R306-D451 PolarHBondContact NH2-OD2 2.86Å; R306-F623 WeakPolarHBondContact CD-O 3.41Å; R306-F623 PolarHBondContact NH1-O 2.95Å; R306-Y625 HydrophobicContact CG-CD2 4.38Å; R306-Y625 HydrophobicContact CG-CE2 3.94Å; R306-Y625 VanDerWaalsContact CZ-OH 3.31Å; R306-Y625 PolarHBondContact NH2-OH 3.28Å; R306-Y625 VanDerWaalsContact NH2-OH 3.09Å |
| 307 | E | 83.2 | Confident | 87.7 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 19% | 0.192 | 16% | 0.157 | C | C | . | . | trans | -63.7 | 122.9 | 172.1 | -164.3 | -79.2 | 138 | 0 | 0 | 109.9 | T268 C304 G305 T309 I310 L311 | T268-E307 HydrophobicContact CG2-CG 4.22Å; C304-E307 WeakPolarHBondContact O-CB 3.14Å; C304-E307 PolarHBondContact O-N 2.95Å; G305-E307 VanDerWaalsContact C-N 3.29Å; G305-E307 PolarHBondContact O-N 3.47Å; E307-T309 VanDerWaalsContact C-N 3.33Å; E307-T309 PolarHBondContact O-N 3.44Å; E307-T309 WeakPolarHBondContact OE1-CB 3.39Å; E307-T309 WeakPolarHBondContact OE1-CG2 3.47Å; E307-T309 PolarHBondContact OE1-N 3.48Å; E307-T309 PolarHBondContact OE1-OG1 2.73Å; E307-T309 PolarHBondContact OE2-N 3.02Å; E307-T309 PolarHBondContact OE2-OG1 3.28Å; E307-I310 HydrophobicContact CB-CD1 4.33Å; E307-I310 HydrophobicContact CG-CD1 4.45Å; E307-I310 WeakPolarHBondContact OE2-CB 3.32Å; E307-I310 VanDerWaalsContact OE2-CD1 3.28Å; E307-I310 WeakPolarHBondContact OE2-CD1 3.28Å; E307-I310 WeakPolarHBondContact OE2-CG1 3.47Å; E307-I310 PolarHBondContact OE2-N 3Å; E307-L311 WeakPolarHBondContact O-CG 3.27Å; E307-L311 PolarHBondContact O-N 3.25Å | ||
| 308 | P | 82.5 | Confident | 87.7 | Confident | 75 Ų | 75 | 29.4 Ų | 29.4 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.6 | -29.7 | -164.9 | 25.7 | -34.6 | 0 | 0 | 0 | 112.9 | Q312 | P308-Q312 VanDerWaalsContact O-CG 3.31Å; P308-Q312 WeakPolarHBondContact O-CG 3.3Å; P308-Q312 PolarHBondContact O-N 2.93Å; P308-Q312 VanDerWaalsContact O-N 3.16Å |
| 309 | T | 86.6 | Confident | 87.7 | Confident | 59 Ų | 59 | 28.8 Ų | 28.8 | 36% | 0.362 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -75.3 | -40.7 | -177.8 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | L272 E307 Q312 K313 | L272-T309 WeakPolarHBondContact CD1-OG1 3.4Å; E307-T309 VanDerWaalsContact C-N 3.33Å; E307-T309 PolarHBondContact O-N 3.44Å; E307-T309 WeakPolarHBondContact OE1-CB 3.39Å; E307-T309 WeakPolarHBondContact OE1-CG2 3.47Å; E307-T309 PolarHBondContact OE1-N 3.48Å; E307-T309 PolarHBondContact OE1-OG1 2.73Å; E307-T309 PolarHBondContact OE2-N 3.02Å; E307-T309 PolarHBondContact OE2-OG1 3.28Å; T309-Q312 PolarHBondContact O-N 2.92Å; T309-K313 PolarHBondContact O-N 2.89Å |
| 310 | I | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 171.5 | -71.6 | 163.2 | 0 | 0 | 0 | 110.4 | L262 A271 L272 L275 I300 C304 E307 Q312 K313 V314 | L262-I310 HydrophobicContact CD2-CD1 3.86Å; A271-I310 HydrophobicContact CB-CD1 4.39Å; L272-I310 HydrophobicContact CB-CG1 4.37Å; L275-I310 HydrophobicContact CD2-CG2 3.99Å; I300-I310 HydrophobicContact CG2-CG2 3.84Å; C304-I310 HydrophobicContact CB-CB 4.38Å; C304-I310 HydrophobicContact CB-CG2 3.62Å; E307-I310 HydrophobicContact CB-CD1 4.33Å; E307-I310 HydrophobicContact CG-CD1 4.45Å; E307-I310 WeakPolarHBondContact OE2-CB 3.32Å; E307-I310 VanDerWaalsContact OE2-CD1 3.28Å; E307-I310 WeakPolarHBondContact OE2-CD1 3.28Å; E307-I310 WeakPolarHBondContact OE2-CG1 3.47Å; E307-I310 PolarHBondContact OE2-N 3Å; I310-Q312 VanDerWaalsContact C-N 3.28Å; I310-Q312 PolarHBondContact O-N 3.48Å; I310-K313 PolarHBondContact O-N 3.33Å; I310-K313 VanDerWaalsContact O-N 3.09Å; I310-V314 HydrophobicContact CG2-CG2 4.01Å; I310-V314 WeakPolarHBondContact O-CB 3.42Å; I310-V314 VanDerWaalsContact O-CG2 3.29Å; I310-V314 WeakPolarHBondContact O-CG2 3.48Å; I310-V314 PolarHBondContact O-N 2.97Å |
| 311 | L | 88.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -34.9 | 179.7 | -78.8 | 177.2 | 0 | 0 | 0 | 113.2 | R306 E307 Q315 I338 M341 Q342 | R306-L311 HydrophobicContact CB-CD1 4.19Å; E307-L311 WeakPolarHBondContact O-CG 3.27Å; E307-L311 PolarHBondContact O-N 3.25Å; L311-Q315 WeakPolarHBondContact O-CB 3.42Å; L311-Q315 PolarHBondContact O-N 3.24Å; L311-I338 HydrophobicContact CD2-CG2 4.49Å; L311-M341 HydrophobicContact CD1-CB 3.94Å; L311-M341 HydrophobicContact CD2-CB 4.2Å; L311-Q342 HydrophobicContact CB-CG 3.8Å; L311-Q342 HydrophobicContact CD1-CG 4.14Å; L311-Q342 PolarHBondContact O-NE2 2.84Å |
| 312 | Q | 90.1 | Very high | 87.6 | Confident | 106 Ų | 106 | 31.6 Ų | 31.6 | 50% | 0.495 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.9 | -75.7 | 174.4 | 7.2 | 0 | 0 | 111.4 | P308 T309 I310 Q315 E316 | P308-Q312 VanDerWaalsContact O-CG 3.31Å; P308-Q312 WeakPolarHBondContact O-CG 3.3Å; P308-Q312 PolarHBondContact O-N 2.93Å; P308-Q312 VanDerWaalsContact O-N 3.16Å; T309-Q312 PolarHBondContact O-N 2.92Å; I310-Q312 VanDerWaalsContact C-N 3.28Å; I310-Q312 PolarHBondContact O-N 3.48Å; Q312-Q315 WeakPolarHBondContact O-CB 3.21Å; Q312-Q315 PolarHBondContact O-N 2.9Å; Q312-E316 PolarHBondContact O-N 3.4Å |
| 313 | K | 90 | Very high | 87.7 | Confident | 57 Ų | 57 | 37.8 Ų | 37.8 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 176.6 | -68.6 | -62.8 | 173.9 | -157.3 | 0 | 113.3 | L275 T309 I310 Q315 E316 L317 | L275-K313 HydrophobicContact CD2-CB 3.59Å; L275-K313 HydrophobicContact CG-CB 4.18Å; T309-K313 PolarHBondContact O-N 2.89Å; I310-K313 PolarHBondContact O-N 3.33Å; I310-K313 VanDerWaalsContact O-N 3.09Å; K313-Q315 VanDerWaalsContact C-N 3.35Å; K313-E316 WeakPolarHBondContact CD-OE2 3.34Å; K313-E316 IonicContact NZ-OE1 3.17Å; K313-E316 PolarHBondContact NZ-OE1 3.41Å; K313-E316 IonicContact NZ-OE2 3.83Å; K313-E316 PolarHBondContact NZ-OE2 3.36Å; K313-E316 PolarHBondContact O-N 3.29Å; K313-L317 PolarHBondContact O-N 2.99Å |
| 314 | V | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -36.8 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L275 S297 I300 I310 L317 C318 I338 | L275-V314 HydrophobicContact CD2-CG2 4Å; S297-V314 VanDerWaalsContact O-CG1 3.26Å; S297-V314 WeakPolarHBondContact O-CG1 3.22Å; I300-V314 HydrophobicContact CB-CG2 3.91Å; I300-V314 HydrophobicContact CG2-CG2 3.49Å; I300-V314 VanDerWaalsContact CG2-CG2 3.49Å; I310-V314 HydrophobicContact CG2-CG2 4.01Å; I310-V314 WeakPolarHBondContact O-CB 3.42Å; I310-V314 VanDerWaalsContact O-CG2 3.29Å; I310-V314 WeakPolarHBondContact O-CG2 3.48Å; I310-V314 PolarHBondContact O-N 2.97Å; V314-L317 PolarHBondContact O-N 2.94Å; V314-C318 PolarHBondContact O-N 3.31Å; V314-I338 HydrophobicContact CG1-CD1 3.79Å; V314-I338 HydrophobicContact CG1-CG1 4.12Å; V314-I338 HydrophobicContact CG1-CG2 4.34Å |
| 315 | Q | 91.8 | Very high | 87.6 | Confident | 25 Ų | 25 | 43 Ų | 43 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 172.3 | -179.9 | -174.7 | -14.4 | 0 | 0 | 111.1 | L311 Q312 K313 L317 C318 E319 L335 I338 Q342 | L311-Q315 WeakPolarHBondContact O-CB 3.42Å; L311-Q315 PolarHBondContact O-N 3.24Å; Q312-Q315 WeakPolarHBondContact O-CB 3.21Å; Q312-Q315 PolarHBondContact O-N 2.9Å; K313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-L317 PolarHBondContact O-N 3.32Å; Q315-C318 PolarHBondContact O-N 3.12Å; Q315-E319 HydrophobicContact CG-CG 4.27Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.48Å; Q315-E319 PolarHBondContact NE2-OE1 3.19Å; Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.35Å; Q315-L335 HydrophobicContact CG-CD1 3.93Å; Q315-I338 HydrophobicContact CB-CG2 3.92Å; Q315-Q342 VanDerWaalsContact OE1-OE1 3.04Å |
| 316 | E | 90.8 | Very high | 87.8 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.8 | -35.9 | 177.6 | -65.4 | 171.6 | -167.3 | 0 | 0 | 112.2 | K279 Q312 K313 K320 | K279-E316 IonicContact NZ-OE2 3.73Å; K279-E316 PolarHBondContact NZ-OE2 2.82Å; Q312-E316 PolarHBondContact O-N 3.4Å; K313-E316 WeakPolarHBondContact CD-OE2 3.34Å; K313-E316 IonicContact NZ-OE1 3.17Å; K313-E316 PolarHBondContact NZ-OE1 3.41Å; K313-E316 IonicContact NZ-OE2 3.83Å; K313-E316 PolarHBondContact NZ-OE2 3.36Å; K313-E316 PolarHBondContact O-N 3.29Å; E316-K320 WeakPolarHBondContact O-CG 3.35Å; E316-K320 PolarHBondContact O-N 2.83Å |
| 317 | L | 90.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70 | -41.6 | 175.3 | -71.5 | 171.6 | 0 | 0 | 0 | 112.2 | L275 K279 L282 Y293 V296 K313 V314 Q315 K320 A321 | L275-L317 HydrophobicContact CD1-CD1 3.73Å; K279-L317 HydrophobicContact CB-CD2 3.94Å; K279-L317 HydrophobicContact CD-CD2 4.4Å; K279-L317 HydrophobicContact CG-CD2 3.77Å; L282-L317 HydrophobicContact CD1-CD2 4.14Å; Y293-L317 HydrophobicContact CD1-CD2 3.85Å; Y293-L317 HydrophobicContact CE1-CD2 4.1Å; V296-L317 HydrophobicContact CG1-CD1 3.9Å; K313-L317 PolarHBondContact O-N 2.99Å; V314-L317 PolarHBondContact O-N 2.94Å; Q315-L317 PolarHBondContact O-N 3.32Å; L317-K320 PolarHBondContact O-N 3.32Å; L317-A321 PolarHBondContact O-N 3.09Å |
| 318 | C | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.8 | -36.3 | -180 | -160.8 | 0 | 0 | 0 | 0 | 112.3 | V314 Q315 K320 A321 V322 L335 I338 | V314-C318 PolarHBondContact O-N 3.31Å; Q315-C318 PolarHBondContact O-N 3.12Å; C318-K320 VanDerWaalsContact C-N 3.3Å; C318-K320 PolarHBondContact O-N 3.37Å; C318-A321 WeakPolarHBondContact O-CB 2.93Å; C318-A321 PolarHBondContact O-N 3.26Å; C318-A321 VanDerWaalsContact O-N 3.12Å; C318-V322 WeakPolarHBondContact O-CG2 3.33Å; C318-V322 PolarHBondContact O-N 3.39Å; C318-V322 VanDerWaalsContact O-N 3.13Å; C318-L335 HydrophobicContact CB-CD1 4.14Å; C318-I338 HydrophobicContact CB-CD1 3.6Å |
| 319 | E | 90.7 | Very high | 88.1 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 174 | -74.5 | 172.8 | 170.4 | 0 | 0 | 111 | Q315 A321 V322 E323 L335 | Q315-E319 HydrophobicContact CG-CG 4.27Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.48Å; Q315-E319 PolarHBondContact NE2-OE1 3.19Å; Q315-E319 WeakPolarHBondContact O-CG 3.5Å; Q315-E319 PolarHBondContact O-N 3.35Å; E319-A321 VanDerWaalsContact C-N 3.32Å; E319-A321 PolarHBondContact O-N 3.39Å; E319-V322 WeakPolarHBondContact O-CB 3.42Å; E319-V322 PolarHBondContact O-N 3.4Å; E319-V322 VanDerWaalsContact O-N 3.11Å; E319-E323 WeakPolarHBondContact O-CG 3.48Å; E319-E323 PolarHBondContact O-N 3.26Å; E319-L335 HydrophobicContact CG-CD1 3.78Å; E319-L335 HydrophobicContact CG-CD2 4.22Å |
| 320 | K | 89.1 | Confident | 88.2 | Confident | 53 Ų | 53 | 47.4 Ų | 47.4 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 173 | -73.4 | -173.5 | 171.3 | -153.5 | 0 | 113.3 | E283 Y293 E316 L317 C318 V322 E323 L324 | E283-K320 VanDerWaalsContact CG-NZ 3.28Å; E283-K320 IonicContact OE1-NZ 2.77Å; E283-K320 PolarHBondContact OE1-NZ 3.4Å; E283-K320 IonicContact OE2-NZ 2.76Å; Y293-K320 HydrophobicContact CD1-CB 4.16Å; Y293-K320 HydrophobicContact CE1-CB 4.38Å; Y293-K320 HydrophobicContact CE1-CD 4.1Å; Y293-K320 HydrophobicContact CG-CB 4.49Å; E316-K320 WeakPolarHBondContact O-CG 3.35Å; E316-K320 PolarHBondContact O-N 2.83Å; L317-K320 PolarHBondContact O-N 3.32Å; C318-K320 VanDerWaalsContact C-N 3.3Å; C318-K320 PolarHBondContact O-N 3.37Å; K320-V322 VanDerWaalsContact C-N 3.3Å; K320-V322 PolarHBondContact O-N 3.07Å; K320-E323 PolarHBondContact O-N 3.2Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.33Å; K320-L324 PolarHBondContact O-N 3.28Å |
| 321 | A | 88.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L317 C318 E319 T325 Y331 | L317-A321 PolarHBondContact O-N 3.09Å; C318-A321 WeakPolarHBondContact O-CB 2.93Å; C318-A321 PolarHBondContact O-N 3.26Å; C318-A321 VanDerWaalsContact O-N 3.12Å; E319-A321 VanDerWaalsContact C-N 3.32Å; E319-A321 PolarHBondContact O-N 3.39Å; A321-T325 PolarHBondContact O-N 3.44Å; A321-T325 PolarHBondContact O-OG1 2.97Å; A321-Y331 HydrophobicContact CB-CD2 4.36Å; A321-Y331 HydrophobicContact CB-CG 4.46Å |
| 322 | V | 89.2 | Confident | 88.3 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | C318 E319 K320 L324 T325 P326 L332 L335 | C318-V322 WeakPolarHBondContact O-CG2 3.33Å; C318-V322 PolarHBondContact O-N 3.39Å; C318-V322 VanDerWaalsContact O-N 3.13Å; E319-V322 WeakPolarHBondContact O-CB 3.42Å; E319-V322 PolarHBondContact O-N 3.4Å; E319-V322 VanDerWaalsContact O-N 3.11Å; K320-V322 VanDerWaalsContact C-N 3.3Å; K320-V322 PolarHBondContact O-N 3.07Å; V322-L324 VanDerWaalsContact C-N 3.33Å; V322-L324 PolarHBondContact O-N 3.17Å; V322-T325 CarbonylContact O-C 3.25Å; V322-T325 VanDerWaalsContact O-C 3.25Å; V322-T325 PolarHBondContact O-N 2.63Å; V322-P326 VanDerWaalsContact O-CA 3.29Å; V322-P326 WeakPolarHBondContact O-CA 3.46Å; V322-P326 VanDerWaalsContact O-N 3.12Å; V322-L332 HydrophobicContact CG1-CD2 3.72Å; V322-L332 HydrophobicContact CG1-CG 4.25Å; V322-L332 HydrophobicContact CG2-CD2 4.22Å; V322-L332 HydrophobicContact CG2-CG 4.43Å; V322-L335 HydrophobicContact CG2-CD2 4.3Å |
| 323 | E | 88.9 | Confident | 88.3 | Confident | 150 Ų | 150 | 44.3 Ų | 44.3 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.4 | -42.4 | 176 | -74.3 | 177.4 | 176.8 | 0 | 0 | 112.2 | E319 K320 | E319-E323 WeakPolarHBondContact O-CG 3.48Å; E319-E323 PolarHBondContact O-N 3.26Å; K320-E323 PolarHBondContact O-N 3.2Å |
| 324 | L | 85.2 | Confident | 88.3 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.3 | -33.9 | 179.5 | -70.7 | 172.6 | 0 | 0 | 0 | 112.8 | P287 Y293 K320 V322 | P287-L324 WeakPolarHBondContact O-CD1 3.03Å; P287-L324 WeakPolarHBondContact O-CD2 3.28Å; Y293-L324 HydrophobicContact CD2-CD1 3.96Å; Y293-L324 HydrophobicContact CE2-CD1 3.99Å; K320-L324 VanDerWaalsContact O-CG 3.26Å; K320-L324 WeakPolarHBondContact O-CG 3.33Å; K320-L324 PolarHBondContact O-N 3.28Å; V322-L324 VanDerWaalsContact C-N 3.33Å; V322-L324 PolarHBondContact O-N 3.17Å |
| 325 | T | 83.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | trans | -141.6 | 75.8 | -175.6 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | S290 A321 V322 G327 N328 Y331 | S290-T325 WeakPolarHBondContact CB-OG1 3.5Å; S290-T325 WeakPolarHBondContact OG-CG2 3.49Å; S290-T325 PolarHBondContact OG-OG1 3.09Å; A321-T325 PolarHBondContact O-N 3.44Å; A321-T325 PolarHBondContact O-OG1 2.97Å; V322-T325 CarbonylContact O-C 3.25Å; V322-T325 VanDerWaalsContact O-C 3.25Å; V322-T325 PolarHBondContact O-N 2.63Å; T325-G327 PolarHBondContact O-N 3.37Å; T325-G327 VanDerWaalsContact O-N 3.15Å; T325-N328 PolarHBondContact O-N 3.48Å; T325-Y331 WeakPolarHBondContact OG1-CD2 3.35Å; T325-Y331 WeakPolarHBondContact OG1-CE2 3.26Å | ||
| 326 | P | 82.5 | Confident | 88.2 | Confident | 90 Ų | 90 | 42.2 Ų | 42.2 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.4 | -172.2 | 25.2 | -34.8 | 0 | 0 | 0 | 114 | V322 | V322-P326 VanDerWaalsContact O-CA 3.29Å; V322-P326 WeakPolarHBondContact O-CA 3.46Å; V322-P326 VanDerWaalsContact O-N 3.12Å |
| 327 | G | 81.1 | Confident | 88.1 | Confident | 59 Ų | 59 | 42.3 Ų | 42.3 | 61% | 0.608 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -9.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T325 Y329 | T325-G327 PolarHBondContact O-N 3.37Å; T325-G327 VanDerWaalsContact O-N 3.15Å; G327-Y329 PolarHBondContact O-N 2.92Å |
| 328 | N | 85.1 | Confident | 88.2 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | trans | -88.5 | 103.5 | -178.6 | -168.5 | -18.3 | 0 | 0 | 0 | 111.1 | T325 H330 Y331 | T325-N328 PolarHBondContact O-N 3.48Å; N328-H330 VanDerWaalsContact C-N 3.25Å; N328-H330 PolarHBondContact O-N 2.62Å; N328-H330 WeakPolarHBondContact OD1-CB 3.37Å; N328-H330 PolarHBondContact OD1-CD2 3.44Å; N328-H330 PolarHBondContact OD1-N 3.14Å; N328-H330 VanDerWaalsContact OD1-N 3.07Å; N328-Y331 HydrophobicContact CB-CD2 3.65Å; N328-Y331 HydrophobicContact CB-CE2 3.8Å; N328-Y331 HydrophobicContact CB-CG 4.21Å; N328-Y331 VanDerWaalsContact ND2-CE2 3.28Å; N328-Y331 WeakPolarHBondContact ND2-CE2 3.31Å; N328-Y331 PolarHBondContact ND2-OH 3.09Å; N328-Y331 PolarHBondContact O-N 2.9Å | ||
| 329 | Y | 87.9 | Confident | 88.1 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 24% | 0.243 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -25.8 | -178.8 | 69.7 | -92.6 | 0 | 0 | 0 | 113.5 | G327 Y331 L332 I333 C359 S362 | G327-Y329 PolarHBondContact O-N 2.92Å; Y329-Y331 VanDerWaalsContact C-N 3.27Å; Y329-Y331 PolarHBondContact O-N 2.89Å; Y329-L332 PolarHBondContact O-N 3.14Å; Y329-I333 HydrophobicContact CD2-CD1 3.83Å; Y329-I333 HydrophobicContact CE2-CD1 4.36Å; Y329-I333 WeakPolarHBondContact O-CG1 3.32Å; Y329-I333 PolarHBondContact O-N 3.33Å; Y329-C359 HydrophobicContact CD1-CB 3.59Å; Y329-C359 HydrophobicContact CD2-CB 4.35Å; Y329-C359 HydrophobicContact CE1-CB 3.82Å; Y329-C359 HydrophobicContact CG-CB 3.88Å; Y329-S362 WeakPolarHBondContact CD2-OG 3.31Å; Y329-S362 VanDerWaalsContact CE2-OG 3.22Å; Y329-S362 WeakPolarHBondContact CE2-OG 3.15Å |
| 330 | H | 88.1 | Confident | 88 | Confident | 76 Ų | 76 | 39.4 Ų | 39.4 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 177.5 | -64.8 | -73.7 | 0 | 0 | 0 | 112.2 | N328 I333 N334 | N328-H330 VanDerWaalsContact C-N 3.25Å; N328-H330 PolarHBondContact O-N 2.62Å; N328-H330 WeakPolarHBondContact OD1-CB 3.37Å; N328-H330 PolarHBondContact OD1-CD2 3.44Å; N328-H330 PolarHBondContact OD1-N 3.14Å; N328-H330 VanDerWaalsContact OD1-N 3.07Å; H330-I333 PolarHBondContact O-N 2.8Å; H330-N334 PolarHBondContact O-N 3.28Å |
| 331 | Y | 90.5 | Very high | 87.8 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.8 | -35.6 | 179.8 | -57.8 | -20.1 | 0 | 0 | 0 | 112 | N291 S294 A321 T325 N328 Y329 N334 L335 | N291-Y331 PolarHBondContact OD1-OH 3.45Å; S294-Y331 VanDerWaalsContact CB-CD1 3.47Å; S294-Y331 VanDerWaalsContact CB-CE1 3.42Å; S294-Y331 WeakPolarHBondContact OG-CD1 3.5Å; S294-Y331 WeakPolarHBondContact OG-CE1 3.42Å; A321-Y331 HydrophobicContact CB-CD2 4.36Å; A321-Y331 HydrophobicContact CB-CG 4.46Å; T325-Y331 WeakPolarHBondContact OG1-CD2 3.35Å; T325-Y331 WeakPolarHBondContact OG1-CE2 3.26Å; N328-Y331 HydrophobicContact CB-CD2 3.65Å; N328-Y331 HydrophobicContact CB-CE2 3.8Å; N328-Y331 HydrophobicContact CB-CG 4.21Å; N328-Y331 VanDerWaalsContact ND2-CE2 3.28Å; N328-Y331 WeakPolarHBondContact ND2-CE2 3.31Å; N328-Y331 PolarHBondContact ND2-OH 3.09Å; N328-Y331 PolarHBondContact O-N 2.9Å; Y329-Y331 VanDerWaalsContact C-N 3.27Å; Y329-Y331 PolarHBondContact O-N 2.89Å; Y331-N334 PolarHBondContact O-N 3.32Å; Y331-L335 WeakPolarHBondContact O-CB 3.41Å; Y331-L335 PolarHBondContact O-N 3.25Å |
| 332 | L | 89.5 | Confident | 87.6 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 172.5 | -74.3 | 168.4 | 0 | 0 | 0 | 112.2 | V322 Y329 L335 G336 N354 A355 L358 | V322-L332 HydrophobicContact CG1-CD2 3.72Å; V322-L332 HydrophobicContact CG1-CG 4.25Å; V322-L332 HydrophobicContact CG2-CD2 4.22Å; V322-L332 HydrophobicContact CG2-CG 4.43Å; Y329-L332 PolarHBondContact O-N 3.14Å; L332-L335 PolarHBondContact O-N 3.37Å; L332-G336 PolarHBondContact O-N 3.02Å; L332-N354 HydrophobicContact CD1-CB 4.37Å; L332-A355 HydrophobicContact CB-CB 3.89Å; L332-L358 HydrophobicContact CD1-CD1 3.47Å; L332-L358 VanDerWaalsContact CD1-CD1 3.47Å |
| 333 | I | 90.2 | Very high | 87.2 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 172.9 | -67.4 | 169.2 | 0 | 0 | 0 | 110.1 | Y329 H330 L335 G336 H337 F352 A355 D364 | Y329-I333 HydrophobicContact CD2-CD1 3.83Å; Y329-I333 HydrophobicContact CE2-CD1 4.36Å; Y329-I333 WeakPolarHBondContact O-CG1 3.32Å; Y329-I333 PolarHBondContact O-N 3.33Å; H330-I333 PolarHBondContact O-N 2.8Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.44Å; I333-G336 PolarHBondContact O-N 3.26Å; I333-G336 VanDerWaalsContact O-N 3.12Å; I333-H337 WeakPolarHBondContact CG2-NE2 3.31Å; I333-H337 PolarHBondContact O-CD2 2.98Å; I333-H337 PolarHBondContact O-N 3.18Å; I333-F352 HydrophobicContact CG2-CE1 4.21Å; I333-F352 VanDerWaalsContact O-CE1 3.29Å; I333-F352 WeakPolarHBondContact O-CE1 3.5Å; I333-A355 HydrophobicContact CD1-CB 4.26Å; I333-A355 HydrophobicContact CG1-CB 3.61Å; I333-D364 HydrophobicContact CD1-CB 3.91Å |
| 334 | N | 88.9 | Confident | 87 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 176.4 | -71.7 | -11.1 | 0 | 0 | 0 | 111.8 | S294 H330 Y331 G336 H337 I338 | S294-N334 PolarHBondContact OG-ND2 2.96Å; S294-N334 VanDerWaalsContact OG-ND2 3.08Å; H330-N334 PolarHBondContact O-N 3.28Å; Y331-N334 PolarHBondContact O-N 3.32Å; N334-G336 PolarHBondContact O-N 2.54Å; N334-H337 PolarHBondContact O-N 3.13Å; N334-I338 WeakPolarHBondContact O-CG1 3.32Å; N334-I338 PolarHBondContact O-N 3.43Å |
| 335 | L | 91.4 | Very high | 87 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.8 | -177.6 | 62.3 | 0 | 0 | 0 | 111.4 | Q315 C318 E319 V322 Y331 L332 I333 H337 I338 V339 | Q315-L335 HydrophobicContact CG-CD1 3.93Å; C318-L335 HydrophobicContact CB-CD1 4.14Å; E319-L335 HydrophobicContact CG-CD1 3.78Å; E319-L335 HydrophobicContact CG-CD2 4.22Å; V322-L335 HydrophobicContact CG2-CD2 4.3Å; Y331-L335 WeakPolarHBondContact O-CB 3.41Å; Y331-L335 PolarHBondContact O-N 3.25Å; L332-L335 PolarHBondContact O-N 3.37Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.44Å; L335-H337 VanDerWaalsContact C-N 3.3Å; L335-H337 PolarHBondContact O-N 3.5Å; L335-I338 PolarHBondContact O-N 3.19Å; L335-V339 HydrophobicContact CD1-CG2 4.32Å; L335-V339 WeakPolarHBondContact O-CB 3.32Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.42Å; L335-V339 PolarHBondContact O-N 3.44Å |
| 336 | G | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L332 I333 N334 L340 S348 F352 | L332-G336 PolarHBondContact O-N 3.02Å; I333-G336 PolarHBondContact O-N 3.26Å; I333-G336 VanDerWaalsContact O-N 3.12Å; N334-G336 PolarHBondContact O-N 2.54Å; G336-L340 WeakPolarHBondContact O-CB 3.39Å; G336-L340 PolarHBondContact O-N 3.45Å; G336-S348 WeakPolarHBondContact O-CB 3.32Å; G336-S348 PolarHBondContact O-OG 2.79Å; G336-F352 WeakPolarHBondContact O-CZ 3.45Å |
| 337 | H | 89.4 | Confident | 87.3 | Confident | 57 Ų | 57 | 41 Ų | 41 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | 176.1 | -73.8 | -63.6 | 0 | 0 | 0 | 112.9 | I333 N334 L335 V339 L340 M341 F352 | I333-H337 WeakPolarHBondContact CG2-NE2 3.31Å; I333-H337 PolarHBondContact O-CD2 2.98Å; I333-H337 PolarHBondContact O-N 3.18Å; N334-H337 PolarHBondContact O-N 3.13Å; L335-H337 VanDerWaalsContact C-N 3.3Å; L335-H337 PolarHBondContact O-N 3.5Å; H337-V339 VanDerWaalsContact C-N 3.35Å; H337-V339 PolarHBondContact O-N 3.08Å; H337-L340 WeakPolarHBondContact O-CB 3.47Å; H337-L340 PolarHBondContact O-N 3.14Å; H337-M341 WeakPolarHBondContact O-CG 3.28Å; H337-M341 PolarHBondContact O-N 3.37Å; H337-F352 AromaticContact CE1-CZ 3.99Å; H337-F352 AromaticContact CG-CZ 3.97Å; H337-F352 AromaticContact ND1-CZ 3.79Å |
| 338 | I | 90.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.8 | -67 | 158.7 | 0 | 0 | 0 | 110.4 | L311 V314 Q315 C318 N334 L335 L340 M341 Q342 | L311-I338 HydrophobicContact CD2-CG2 4.49Å; V314-I338 HydrophobicContact CG1-CD1 3.79Å; V314-I338 HydrophobicContact CG1-CG1 4.12Å; V314-I338 HydrophobicContact CG1-CG2 4.34Å; Q315-I338 HydrophobicContact CB-CG2 3.92Å; C318-I338 HydrophobicContact CB-CD1 3.6Å; N334-I338 WeakPolarHBondContact O-CG1 3.32Å; N334-I338 PolarHBondContact O-N 3.43Å; L335-I338 PolarHBondContact O-N 3.19Å; I338-L340 VanDerWaalsContact C-N 3.28Å; I338-L340 PolarHBondContact O-N 3.11Å; I338-M341 HydrophobicContact CG1-CE 4.39Å; I338-M341 PolarHBondContact O-N 2.9Å; I338-Q342 PolarHBondContact O-N 3.28Å; I338-Q342 VanDerWaalsContact O-N 3.09Å |
| 339 | V | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -34.3 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | L335 H337 Q342 G343 K344 E347 | L335-V339 HydrophobicContact CD1-CG2 4.32Å; L335-V339 WeakPolarHBondContact O-CB 3.32Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.42Å; L335-V339 PolarHBondContact O-N 3.44Å; H337-V339 VanDerWaalsContact C-N 3.35Å; H337-V339 PolarHBondContact O-N 3.08Å; V339-Q342 PolarHBondContact O-N 3.1Å; V339-G343 PolarHBondContact O-N 3.27Å; V339-K344 HydrophobicContact CG1-CB 3.7Å; V339-K344 PolarHBondContact O-N 3.14Å; V339-K344 VanDerWaalsContact O-N 3.13Å; V339-E347 HydrophobicContact CG1-CB 3.63Å |
| 340 | L | 88.1 | Confident | 87.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 172.3 | -170.8 | 61.6 | 0 | 0 | 0 | 111.6 | G336 H337 I338 Q342 G343 L345 S348 Q371 L375 F623 | G336-L340 WeakPolarHBondContact O-CB 3.39Å; G336-L340 PolarHBondContact O-N 3.45Å; H337-L340 WeakPolarHBondContact O-CB 3.47Å; H337-L340 PolarHBondContact O-N 3.14Å; I338-L340 VanDerWaalsContact C-N 3.28Å; I338-L340 PolarHBondContact O-N 3.11Å; L340-Q342 VanDerWaalsContact C-N 3.28Å; L340-Q342 PolarHBondContact O-N 3.04Å; L340-G343 WeakPolarHBondContact O-CA 3.41Å; L340-G343 PolarHBondContact O-N 2.94Å; L340-L345 HydrophobicContact CD1-CD2 3.57Å; L340-L345 HydrophobicContact CD1-CG 4.46Å; L340-S348 WeakPolarHBondContact CB-OG 3.14Å; L340-Q371 HydrophobicContact CD2-CG 4.25Å; L340-L375 HydrophobicContact CD1-CD1 3.75Å; L340-L375 HydrophobicContact CD2-CD1 4.28Å; L340-L375 HydrophobicContact CG-CD1 4.32Å; L340-F623 HydrophobicContact CD1-CE1 4.02Å; L340-F623 HydrophobicContact CD1-CZ 4.21Å; L340-F623 HydrophobicContact CG-CE1 4.26Å; L340-F623 VanDerWaalsContact O-CD1 3.25Å; L340-F623 WeakPolarHBondContact O-CD1 3.25Å; L340-F623 VanDerWaalsContact O-CE1 3.28Å; L340-F623 WeakPolarHBondContact O-CE1 3.35Å |
| 341 | M | 84.6 | Confident | 88.1 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -28.3 | 178 | -72.9 | -174.9 | -80.2 | 0 | 0 | 113.1 | R306 L311 H337 I338 G343 | R306-M341 HydrophobicContact CG-CB 4.45Å; L311-M341 HydrophobicContact CD1-CB 3.94Å; L311-M341 HydrophobicContact CD2-CB 4.2Å; H337-M341 WeakPolarHBondContact O-CG 3.28Å; H337-M341 PolarHBondContact O-N 3.37Å; I338-M341 HydrophobicContact CG1-CE 4.39Å; I338-M341 PolarHBondContact O-N 2.9Å; M341-G343 PolarHBondContact O-N 3.27Å |
| 342 | Q | 84.9 | Confident | 88 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.7 | 169.6 | -66.7 | 179.6 | 12.1 | 0 | 0 | 113.6 | L311 Q315 I338 V339 L340 K344 | L311-Q342 HydrophobicContact CB-CG 3.8Å; L311-Q342 HydrophobicContact CD1-CG 4.14Å; L311-Q342 PolarHBondContact O-NE2 2.84Å; Q315-Q342 VanDerWaalsContact OE1-OE1 3.04Å; I338-Q342 PolarHBondContact O-N 3.28Å; I338-Q342 VanDerWaalsContact O-N 3.09Å; V339-Q342 PolarHBondContact O-N 3.1Å; L340-Q342 VanDerWaalsContact C-N 3.28Å; L340-Q342 PolarHBondContact O-N 3.04Å; Q342-K344 HydrophobicContact CB-CG 4.49Å |
| 343 | G | 79.8 | Confident | 88 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 8.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | V339 L340 M341 L345 F623 | V339-G343 PolarHBondContact O-N 3.27Å; L340-G343 WeakPolarHBondContact O-CA 3.41Å; L340-G343 PolarHBondContact O-N 2.94Å; M341-G343 PolarHBondContact O-N 3.27Å; G343-L345 VanDerWaalsContact C-N 3.33Å; G343-L345 PolarHBondContact O-N 3.43Å; G343-F623 VanDerWaalsContact CA-CE2 3.5Å; G343-F623 VanDerWaalsContact CA-CG 3.48Å |
| 344 | K | 86 | Confident | 87.8 | Confident | 79 Ų | 79 | 44 Ų | 44 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | trans | -86 | 71 | 179.2 | -60.4 | -177.6 | -166.6 | 154.3 | 0 | 111.4 | V339 Q342 K346 E347 S348 | V339-K344 HydrophobicContact CG1-CB 3.7Å; V339-K344 PolarHBondContact O-N 3.14Å; V339-K344 VanDerWaalsContact O-N 3.13Å; Q342-K344 HydrophobicContact CB-CG 4.49Å; K344-K346 VanDerWaalsContact C-N 3.34Å; K344-K346 PolarHBondContact O-N 2.88Å; K344-E347 HydrophobicContact CB-CB 4.35Å; K344-E347 WeakPolarHBondContact CD-OE2 3.45Å; K344-E347 PolarHBondContact O-N 3.38Å; K344-S348 PolarHBondContact O-N 3.27Å; K344-S348 VanDerWaalsContact O-N 3.1Å | ||
| 345 | L | 83.8 | Confident | 87.7 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53 | -42.2 | -174.7 | -83.1 | 164.3 | 0 | 0 | 0 | 115.1 | L340 G343 V349 L375 F623 | L340-L345 HydrophobicContact CD1-CD2 3.57Å; L340-L345 HydrophobicContact CD1-CG 4.46Å; G343-L345 VanDerWaalsContact C-N 3.33Å; G343-L345 PolarHBondContact O-N 3.43Å; L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.5Å; L345-V349 VanDerWaalsContact O-N 3.17Å; L345-L375 HydrophobicContact CD2-CB 3.77Å; L345-L375 HydrophobicContact CD2-CD1 3.96Å; L345-F623 HydrophobicContact CD1-CE2 3.88Å; L345-F623 HydrophobicContact CD1-CZ 3.87Å; L345-F623 HydrophobicContact CD2-CZ 3.8Å; L345-F623 HydrophobicContact CG-CE2 3.91Å; L345-F623 HydrophobicContact CG-CZ 3.61Å |
| 346 | K | 85.3 | Confident | 87.5 | Confident | 185 Ų | 185 | 43.6 Ų | 43.6 | 80% | 0.804 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -68.3 | -42.1 | -175.8 | -67.4 | -177.3 | 179.9 | 178.8 | 0 | 112.3 | K344 Q350 | K344-K346 VanDerWaalsContact C-N 3.34Å; K344-K346 PolarHBondContact O-N 2.88Å; K346-Q350 PolarHBondContact O-N 3.29Å |
| 347 | E | 88.5 | Confident | 87.4 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 178.2 | -68.3 | 173.9 | -164.5 | 0 | 0 | 110.5 | V339 K344 V349 Q350 H351 | V339-E347 HydrophobicContact CG1-CB 3.63Å; K344-E347 HydrophobicContact CB-CB 4.35Å; K344-E347 WeakPolarHBondContact CD-OE2 3.45Å; K344-E347 PolarHBondContact O-N 3.38Å; E347-V349 PolarHBondContact O-N 3.17Å; E347-Q350 WeakPolarHBondContact O-CB 3.18Å; E347-Q350 PolarHBondContact O-N 2.88Å; E347-H351 PolarHBondContact O-CD2 3.13Å; E347-H351 PolarHBondContact O-N 3.06Å; E347-H351 VanDerWaalsContact O-N 3.13Å |
| 348 | S | 88.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 112.7 | G336 L340 K344 Q350 H351 F352 | G336-S348 WeakPolarHBondContact O-CB 3.32Å; G336-S348 PolarHBondContact O-OG 2.79Å; L340-S348 WeakPolarHBondContact CB-OG 3.14Å; K344-S348 PolarHBondContact O-N 3.27Å; K344-S348 VanDerWaalsContact O-N 3.1Å; S348-Q350 VanDerWaalsContact C-N 3.29Å; S348-Q350 PolarHBondContact O-N 3.41Å; S348-H351 PolarHBondContact O-N 3.01Å; S348-F352 WeakPolarHBondContact O-CD2 3.25Å; S348-F352 WeakPolarHBondContact O-CG 3.43Å; S348-F352 PolarHBondContact O-N 3.26Å; S348-F352 WeakPolarHBondContact OG-CE2 3.19Å |
| 349 | V | 87.7 | Confident | 86.8 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | L345 E347 F352 R353 C372 | L345-V349 WeakPolarHBondContact O-CG2 3.49Å; L345-V349 PolarHBondContact O-N 3.5Å; L345-V349 VanDerWaalsContact O-N 3.17Å; E347-V349 PolarHBondContact O-N 3.17Å; V349-F352 PolarHBondContact O-N 2.95Å; V349-R353 HydrophobicContact CG1-CG 4.36Å; V349-R353 WeakPolarHBondContact O-CB 3.48Å; V349-R353 WeakPolarHBondContact O-CG 3.48Å; V349-R353 PolarHBondContact O-N 3.48Å; V349-C372 HydrophobicContact CG2-CB 3.46Å; V349-C372 VanDerWaalsContact CG2-CB 3.46Å |
| 350 | Q | 90 | Very high | 86.2 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.9 | -174.1 | 61.8 | 39.4 | 0 | 0 | 111.3 | K346 E347 S348 R353 N354 | K346-Q350 PolarHBondContact O-N 3.29Å; E347-Q350 WeakPolarHBondContact O-CB 3.18Å; E347-Q350 PolarHBondContact O-N 2.88Å; S348-Q350 VanDerWaalsContact C-N 3.29Å; S348-Q350 PolarHBondContact O-N 3.41Å; Q350-R353 PolarHBondContact O-N 3.35Å; Q350-N354 PolarHBondContact NE2-OD1 3.35Å; Q350-N354 WeakPolarHBondContact O-CB 3.41Å; Q350-N354 PolarHBondContact O-N 3.25Å; Q350-N354 PolarHBondContact O-OD1 3.1Å |
| 351 | H | 90.5 | Very high | 85.8 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 18% | 0.181 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.1 | -66.9 | -63.5 | 0 | 0 | 0 | 112.3 | E347 S348 N354 A355 | E347-H351 PolarHBondContact O-CD2 3.13Å; E347-H351 PolarHBondContact O-N 3.06Å; E347-H351 VanDerWaalsContact O-N 3.13Å; S348-H351 PolarHBondContact O-N 3.01Å; H351-N354 WeakPolarHBondContact O-CB 3.46Å; H351-N354 PolarHBondContact O-N 3.21Å; H351-A355 PolarHBondContact O-N 3.42Å |
| 352 | F | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.9 | -62.7 | -46.5 | 0 | 0 | 0 | 112.9 | I333 G336 H337 S348 V349 N354 A355 I356 A368 V369 C372 | I333-F352 HydrophobicContact CG2-CE1 4.21Å; I333-F352 VanDerWaalsContact O-CE1 3.29Å; I333-F352 WeakPolarHBondContact O-CE1 3.5Å; G336-F352 WeakPolarHBondContact O-CZ 3.45Å; H337-F352 AromaticContact CE1-CZ 3.99Å; H337-F352 AromaticContact CG-CZ 3.97Å; H337-F352 AromaticContact ND1-CZ 3.79Å; S348-F352 WeakPolarHBondContact O-CD2 3.25Å; S348-F352 WeakPolarHBondContact O-CG 3.43Å; S348-F352 PolarHBondContact O-N 3.26Å; S348-F352 WeakPolarHBondContact OG-CE2 3.19Å; V349-F352 PolarHBondContact O-N 2.95Å; F352-N354 VanDerWaalsContact C-N 3.34Å; F352-N354 PolarHBondContact O-N 3.15Å; F352-A355 WeakPolarHBondContact O-CB 3.4Å; F352-A355 PolarHBondContact O-N 3.27Å; F352-I356 WeakPolarHBondContact O-CG1 3.3Å; F352-I356 PolarHBondContact O-N 3.21Å; F352-A368 HydrophobicContact CD1-CB 3.49Å; F352-A368 VanDerWaalsContact CD1-CB 3.49Å; F352-A368 HydrophobicContact CD2-CB 3.93Å; F352-A368 HydrophobicContact CE1-CB 3.37Å; F352-A368 HydrophobicContact CE2-CB 3.82Å; F352-A368 HydrophobicContact CG-CB 3.78Å; F352-A368 HydrophobicContact CZ-CB 3.56Å; F352-V369 HydrophobicContact CB-CG2 3.72Å; F352-C372 VanDerWaalsContact CE2-SG 3.57Å |
| 353 | R | 87.9 | Confident | 85.7 | Confident | 139 Ų | 139 | 64.5 Ų | 64.5 | 53% | 0.525 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 173.4 | -74.9 | 177.6 | 178.5 | 176.1 | -0.8 | 111.8 | V349 Q350 A355 I356 N357 | V349-R353 HydrophobicContact CG1-CG 4.36Å; V349-R353 WeakPolarHBondContact O-CB 3.48Å; V349-R353 WeakPolarHBondContact O-CG 3.48Å; V349-R353 PolarHBondContact O-N 3.48Å; Q350-R353 PolarHBondContact O-N 3.35Å; R353-A355 VanDerWaalsContact C-N 3.28Å; R353-A355 PolarHBondContact O-N 2.94Å; R353-I356 PolarHBondContact O-N 3.28Å; R353-N357 PolarHBondContact O-N 3.01Å; R353-N357 PolarHBondContact O-ND2 3.01Å; R353-N357 PolarHBondContact O-OD1 3.48Å |
| 354 | N | 87.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 174.6 | -68.2 | -7.4 | 0 | 0 | 0 | 111.5 | L332 Q350 H351 F352 N357 L358 | L332-N354 HydrophobicContact CD1-CB 4.37Å; Q350-N354 PolarHBondContact NE2-OD1 3.35Å; Q350-N354 WeakPolarHBondContact O-CB 3.41Å; Q350-N354 PolarHBondContact O-N 3.25Å; Q350-N354 PolarHBondContact O-OD1 3.1Å; H351-N354 WeakPolarHBondContact O-CB 3.46Å; H351-N354 PolarHBondContact O-N 3.21Å; F352-N354 VanDerWaalsContact C-N 3.34Å; F352-N354 PolarHBondContact O-N 3.15Å; N354-N357 PolarHBondContact O-N 3.24Å; N354-L358 PolarHBondContact O-N 3.32Å |
| 355 | A | 87.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L332 I333 H351 F352 R353 N357 L358 C359 | L332-A355 HydrophobicContact CB-CB 3.89Å; I333-A355 HydrophobicContact CD1-CB 4.26Å; I333-A355 HydrophobicContact CG1-CB 3.61Å; H351-A355 PolarHBondContact O-N 3.42Å; F352-A355 WeakPolarHBondContact O-CB 3.4Å; F352-A355 PolarHBondContact O-N 3.27Å; R353-A355 VanDerWaalsContact C-N 3.28Å; R353-A355 PolarHBondContact O-N 2.94Å; A355-N357 VanDerWaalsContact C-N 3.33Å; A355-L358 WeakPolarHBondContact O-CB 3.41Å; A355-L358 PolarHBondContact O-N 2.92Å; A355-C359 PolarHBondContact O-N 3.47Å; A355-C359 VanDerWaalsContact O-N 3.11Å |
| 356 | I | 86.8 | Confident | 86 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 176 | -65.9 | 167.1 | 0 | 0 | 0 | 111 | F352 R353 L358 C359 E360 L366 V369 | F352-I356 WeakPolarHBondContact O-CG1 3.3Å; F352-I356 PolarHBondContact O-N 3.21Å; R353-I356 PolarHBondContact O-N 3.28Å; I356-L358 PolarHBondContact O-N 2.87Å; I356-C359 CarbonylContact O-C 3.58Å; I356-C359 PolarHBondContact O-N 3.01Å; I356-C359 VanDerWaalsContact O-N 3.09Å; I356-E360 WeakPolarHBondContact O-CA 3.49Å; I356-E360 PolarHBondContact O-N 3.38Å; I356-L366 HydrophobicContact CD1-CD2 4.18Å; I356-V369 HydrophobicContact CD1-CB 4.4Å; I356-V369 HydrophobicContact CD1-CG2 3.48Å; I356-V369 VanDerWaalsContact CD1-CG2 3.48Å |
| 357 | N | 87.5 | Confident | 86.1 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.7 | -26.6 | 175.7 | -68.4 | -16.8 | 0 | 0 | 0 | 112.9 | R353 N354 A355 | R353-N357 PolarHBondContact O-N 3.01Å; R353-N357 PolarHBondContact O-ND2 3.01Å; R353-N357 PolarHBondContact O-OD1 3.48Å; N354-N357 PolarHBondContact O-N 3.24Å; A355-N357 VanDerWaalsContact C-N 3.33Å |
| 358 | L | 85.4 | Confident | 85.9 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.4 | -34.2 | 173.1 | -66.9 | 175.7 | 0 | 0 | 0 | 112.2 | L332 N354 A355 I356 | L332-L358 HydrophobicContact CD1-CD1 3.47Å; L332-L358 VanDerWaalsContact CD1-CD1 3.47Å; N354-L358 PolarHBondContact O-N 3.32Å; A355-L358 WeakPolarHBondContact O-CB 3.41Å; A355-L358 PolarHBondContact O-N 2.92Å; I356-L358 PolarHBondContact O-N 2.87Å |
| 359 | C | 83 | Confident | 85.9 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | trans | -145 | 95.2 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | Y329 A355 I356 T361 S362 | Y329-C359 HydrophobicContact CD1-CB 3.59Å; Y329-C359 HydrophobicContact CD2-CB 4.35Å; Y329-C359 HydrophobicContact CE1-CB 3.82Å; Y329-C359 HydrophobicContact CG-CB 3.88Å; A355-C359 PolarHBondContact O-N 3.47Å; A355-C359 VanDerWaalsContact O-N 3.11Å; I356-C359 CarbonylContact O-C 3.58Å; I356-C359 PolarHBondContact O-N 3.01Å; I356-C359 VanDerWaalsContact O-N 3.09Å; C359-T361 PolarHBondContact O-N 3Å; C359-T361 VanDerWaalsContact O-N 3.16Å; C359-T361 PolarHBondContact SG-OG1 2.98Å; C359-T361 VanDerWaalsContact SG-OG1 3.4Å; C359-S362 WeakPolarHBondContact O-CB 3.28Å; C359-S362 PolarHBondContact O-N 3.36Å | ||
| 360 | E | 77.4 | Confident | 85.9 | Confident | 162 Ų | 162 | 50.5 Ų | 50.5 | 76% | 0.757 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.6 | -178 | -66 | -177.5 | 170.4 | 0 | 0 | 112.7 | I356 S362 | I356-E360 WeakPolarHBondContact O-CA 3.49Å; I356-E360 PolarHBondContact O-N 3.38Å; E360-S362 VanDerWaalsContact C-N 3.31Å |
| 361 | T | 79.9 | Confident | 85.7 | Confident | 128 Ų | 128 | 47.6 Ų | 47.6 | 79% | 0.785 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.4 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | C359 F363 | C359-T361 PolarHBondContact O-N 3Å; C359-T361 VanDerWaalsContact O-N 3.16Å; C359-T361 PolarHBondContact SG-OG1 2.98Å; C359-T361 VanDerWaalsContact SG-OG1 3.4Å; T361-F363 PolarHBondContact O-N 2.72Å |
| 362 | S | 82.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | trans | -70 | 104.4 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | Y329 C359 E360 D364 G365 L366 | Y329-S362 WeakPolarHBondContact CD2-OG 3.31Å; Y329-S362 VanDerWaalsContact CE2-OG 3.22Å; Y329-S362 WeakPolarHBondContact CE2-OG 3.15Å; C359-S362 WeakPolarHBondContact O-CB 3.28Å; C359-S362 PolarHBondContact O-N 3.36Å; E360-S362 VanDerWaalsContact C-N 3.31Å; S362-D364 VanDerWaalsContact C-N 3.3Å; S362-D364 PolarHBondContact O-N 3.37Å; S362-G365 PolarHBondContact O-N 3.3Å; S362-G365 PolarHBondContact OG-N 3.32Å; S362-L366 PolarHBondContact O-N 3.47Å; S362-L366 VanDerWaalsContact O-N 3.17Å | ||
| 363 | F | 85.1 | Confident | 85.4 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.4 | -178.1 | -104.3 | 0 | 0 | 0 | 112.1 | T361 L366 K367 L389 I396 V402 | T361-F363 PolarHBondContact O-N 2.72Å; F363-L366 PolarHBondContact O-N 2.9Å; F363-K367 HydrophobicContact CD1-CD 3.87Å; F363-K367 VanDerWaalsContact CD1-CE 3.49Å; F363-K367 HydrophobicContact CD1-CG 4.33Å; F363-K367 HydrophobicContact CE1-CD 3.44Å; F363-K367 VanDerWaalsContact CE1-CD 3.44Å; F363-K367 HydrophobicContact CE1-CG 4.09Å; F363-K367 HydrophobicContact CZ-CD 3.99Å; F363-K367 HydrophobicContact CZ-CG 4.3Å; F363-K367 WeakPolarHBondContact O-CG 3.49Å; F363-K367 PolarHBondContact O-N 3.31Å; F363-L389 HydrophobicContact CD2-CD2 3.55Å; F363-L389 HydrophobicContact CE2-CB 4.4Å; F363-L389 HydrophobicContact CE2-CD2 3.45Å; F363-L389 VanDerWaalsContact CE2-CD2 3.45Å; F363-L389 HydrophobicContact CZ-CD2 4.34Å; F363-I396 HydrophobicContact CB-CD1 4.13Å; F363-I396 HydrophobicContact CD1-CG2 4.21Å; F363-I396 HydrophobicContact CD2-CD1 3.49Å; F363-I396 VanDerWaalsContact CD2-CD1 3.49Å; F363-I396 HydrophobicContact CE1-CG2 4.32Å; F363-I396 HydrophobicContact CE2-CD1 3.98Å; F363-I396 HydrophobicContact CG-CD1 3.85Å; F363-I396 HydrophobicContact CG-CG2 4.43Å; F363-V402 HydrophobicContact CZ-CG2 3.99Å |
| 364 | D | 83.7 | Confident | 85.2 | Confident | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.8 | -66.7 | -34.2 | 0 | 0 | 0 | 112.7 | I333 S362 K367 A368 | I333-D364 HydrophobicContact CD1-CB 3.91Å; S362-D364 VanDerWaalsContact C-N 3.3Å; S362-D364 PolarHBondContact O-N 3.37Å; D364-K367 PolarHBondContact O-N 2.92Å; D364-K367 WeakPolarHBondContact OD1-CE 3.41Å; D364-K367 IonicContact OD1-NZ 2.63Å; D364-K367 PolarHBondContact OD1-NZ 3.46Å; D364-A368 WeakPolarHBondContact O-CB 3.37Å; D364-A368 PolarHBondContact O-N 3.32Å |
| 365 | G | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S362 A368 V369 | S362-G365 PolarHBondContact O-N 3.3Å; S362-G365 PolarHBondContact OG-N 3.32Å; G365-A368 PolarHBondContact O-N 3.24Å; G365-V369 WeakPolarHBondContact O-CG2 3.49Å; G365-V369 PolarHBondContact O-N 2.96Å |
| 366 | L | 85.4 | Confident | 84.8 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.199 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.9 | -73.2 | 171.8 | 0 | 0 | 0 | 111.9 | I356 S362 F363 A368 V369 V370 F388 L389 | I356-L366 HydrophobicContact CD1-CD2 4.18Å; S362-L366 PolarHBondContact O-N 3.47Å; S362-L366 VanDerWaalsContact O-N 3.17Å; F363-L366 PolarHBondContact O-N 2.9Å; L366-A368 VanDerWaalsContact C-N 3.27Å; L366-A368 PolarHBondContact O-N 3.48Å; L366-V369 PolarHBondContact O-N 2.89Å; L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 2.96Å; L366-F388 HydrophobicContact CD1-CE1 4.1Å; L366-L389 HydrophobicContact CB-CD2 4.14Å |
| 367 | K | 87.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.5 | -46.5 | 173.9 | -77 | -173.6 | -62.6 | 171.9 | 0 | 111.8 | F363 D364 V370 Q371 L389 E401 V402 M405 | F363-K367 HydrophobicContact CD1-CD 3.87Å; F363-K367 VanDerWaalsContact CD1-CE 3.49Å; F363-K367 HydrophobicContact CD1-CG 4.33Å; F363-K367 HydrophobicContact CE1-CD 3.44Å; F363-K367 VanDerWaalsContact CE1-CD 3.44Å; F363-K367 HydrophobicContact CE1-CG 4.09Å; F363-K367 HydrophobicContact CZ-CD 3.99Å; F363-K367 HydrophobicContact CZ-CG 4.3Å; F363-K367 WeakPolarHBondContact O-CG 3.49Å; F363-K367 PolarHBondContact O-N 3.31Å; D364-K367 PolarHBondContact O-N 2.92Å; D364-K367 WeakPolarHBondContact OD1-CE 3.41Å; D364-K367 IonicContact OD1-NZ 2.63Å; D364-K367 PolarHBondContact OD1-NZ 3.46Å; K367-V370 PolarHBondContact O-N 2.88Å; K367-Q371 PolarHBondContact O-N 3.27Å; K367-L389 HydrophobicContact CG-CD1 4.08Å; K367-L389 HydrophobicContact CG-CD2 4.35Å; K367-E401 IonicContact NZ-OE2 3.7Å; K367-E401 PolarHBondContact NZ-OE2 3.15Å; K367-V402 HydrophobicContact CD-CG2 3.79Å; K367-V402 HydrophobicContact CG-CG2 3.92Å; K367-M405 WeakPolarHBondContact O-CE 3.3Å |
| 368 | A | 86 | Confident | 84.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.9 | -37.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F352 D364 G365 L366 Q371 C372 | F352-A368 HydrophobicContact CD1-CB 3.49Å; F352-A368 VanDerWaalsContact CD1-CB 3.49Å; F352-A368 HydrophobicContact CD2-CB 3.93Å; F352-A368 HydrophobicContact CE1-CB 3.37Å; F352-A368 HydrophobicContact CE2-CB 3.82Å; F352-A368 HydrophobicContact CG-CB 3.78Å; F352-A368 HydrophobicContact CZ-CB 3.56Å; D364-A368 WeakPolarHBondContact O-CB 3.37Å; D364-A368 PolarHBondContact O-N 3.32Å; G365-A368 PolarHBondContact O-N 3.24Å; L366-A368 VanDerWaalsContact C-N 3.27Å; L366-A368 PolarHBondContact O-N 3.48Å; A368-Q371 WeakPolarHBondContact O-CB 3.44Å; A368-Q371 PolarHBondContact O-N 2.94Å; A368-C372 PolarHBondContact O-N 2.9Å |
| 369 | V | 87.5 | Confident | 84.4 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F352 I356 G365 L366 Q371 C372 Q373 | F352-V369 HydrophobicContact CB-CG2 3.72Å; I356-V369 HydrophobicContact CD1-CB 4.4Å; I356-V369 HydrophobicContact CD1-CG2 3.48Å; I356-V369 VanDerWaalsContact CD1-CG2 3.48Å; G365-V369 WeakPolarHBondContact O-CG2 3.49Å; G365-V369 PolarHBondContact O-N 2.96Å; L366-V369 PolarHBondContact O-N 2.89Å; V369-Q371 VanDerWaalsContact C-N 3.28Å; V369-Q371 PolarHBondContact O-N 3.43Å; V369-C372 CarbonylContact O-C 3.57Å; V369-C372 WeakPolarHBondContact O-CB 3.33Å; V369-C372 PolarHBondContact O-N 3.22Å; V369-C372 VanDerWaalsContact O-N 3.15Å; V369-Q373 HydrophobicContact CG1-CG 4.35Å; V369-Q373 WeakPolarHBondContact O-CG 3.16Å; V369-Q373 PolarHBondContact O-N 3.05Å |
| 370 | V | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L366 K367 C372 Q373 L374 A382 Q385 L386 L389 M405 | L366-V370 WeakPolarHBondContact O-CG2 3.4Å; L366-V370 PolarHBondContact O-N 2.96Å; K367-V370 PolarHBondContact O-N 2.88Å; V370-C372 VanDerWaalsContact C-N 3.3Å; V370-C372 PolarHBondContact O-N 3.2Å; V370-Q373 PolarHBondContact O-N 3.13Å; V370-L374 HydrophobicContact CG1-CD1 4.35Å; V370-L374 HydrophobicContact CG1-CG 4.46Å; V370-L374 WeakPolarHBondContact O-CB 3.31Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 3.46Å; V370-A382 HydrophobicContact CG1-CB 4.19Å; V370-Q385 HydrophobicContact CG2-CB 3.38Å; V370-Q385 HydrophobicContact CG2-CG 4.29Å; V370-L386 HydrophobicContact CG1-CD1 4.1Å; V370-L386 HydrophobicContact CG1-CD2 3.79Å; V370-L386 HydrophobicContact CG1-CG 3.58Å; V370-L389 HydrophobicContact CG2-CD1 4.05Å; V370-M405 HydrophobicContact CB-CE 3.27Å; V370-M405 HydrophobicContact CG1-CE 3.11Å; V370-M405 HydrophobicContact CG2-CE 4.44Å |
| 371 | Q | 86.9 | Confident | 85 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 176 | -174.4 | -177.2 | 7.4 | 0 | 0 | 110.5 | L340 K367 A368 V369 L374 L375 M405 | L340-Q371 HydrophobicContact CD2-CG 4.25Å; K367-Q371 PolarHBondContact O-N 3.27Å; A368-Q371 WeakPolarHBondContact O-CB 3.44Å; A368-Q371 PolarHBondContact O-N 2.94Å; V369-Q371 VanDerWaalsContact C-N 3.28Å; V369-Q371 PolarHBondContact O-N 3.43Å; Q371-L374 PolarHBondContact O-N 3.43Å; Q371-L375 HydrophobicContact CG-CD1 4.46Å; Q371-L375 WeakPolarHBondContact O-CG 3.32Å; Q371-L375 PolarHBondContact O-N 2.92Å; Q371-M405 HydrophobicContact CB-CE 4.35Å |
| 372 | C | 86.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.1 | -76.3 | 0 | 0 | 0 | 0 | 113.2 | V349 F352 A368 V369 V370 L374 L375 Q376 | V349-C372 HydrophobicContact CG2-CB 3.46Å; V349-C372 VanDerWaalsContact CG2-CB 3.46Å; F352-C372 VanDerWaalsContact CE2-SG 3.57Å; A368-C372 PolarHBondContact O-N 2.9Å; V369-C372 CarbonylContact O-C 3.57Å; V369-C372 WeakPolarHBondContact O-CB 3.33Å; V369-C372 PolarHBondContact O-N 3.22Å; V369-C372 VanDerWaalsContact O-N 3.15Å; V370-C372 VanDerWaalsContact C-N 3.3Å; V370-C372 PolarHBondContact O-N 3.2Å; C372-L374 VanDerWaalsContact C-N 3.34Å; C372-L375 PolarHBondContact O-N 3.45Å; C372-Q376 WeakPolarHBondContact O-CB 3.36Å; C372-Q376 VanDerWaalsContact O-CG 3.3Å; C372-Q376 WeakPolarHBondContact O-CG 3.36Å; C372-Q376 PolarHBondContact O-N 3.34Å |
| 373 | Q | 87.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | -75.2 | 173.1 | -18.5 | 0 | 0 | 111.5 | V369 V370 L375 Q376 N377 N378 E381 A382 | V369-Q373 HydrophobicContact CG1-CG 4.35Å; V369-Q373 WeakPolarHBondContact O-CG 3.16Å; V369-Q373 PolarHBondContact O-N 3.05Å; V370-Q373 PolarHBondContact O-N 3.13Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.29Å; Q373-Q376 CarbonylContact O-C 3.02Å; Q373-Q376 PolarHBondContact O-N 2.83Å; Q373-N377 PolarHBondContact O-N 3.48Å; Q373-N377 VanDerWaalsContact O-N 3.13Å; Q373-N378 HydrophobicContact CB-CB 4.23Å; Q373-N378 PolarHBondContact O-N 3.49Å; Q373-E381 PolarHBondContact NE2-OE2 3Å; Q373-A382 HydrophobicContact CB-CB 4.1Å |
| 374 | L | 85.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 173.1 | -72.9 | 173.5 | 0 | 0 | 0 | 110.3 | V370 Q371 C372 Q376 N377 A382 L386 M405 V408 L409 K412 | V370-L374 HydrophobicContact CG1-CD1 4.35Å; V370-L374 HydrophobicContact CG1-CG 4.46Å; V370-L374 WeakPolarHBondContact O-CB 3.31Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 3.46Å; Q371-L374 PolarHBondContact O-N 3.43Å; C372-L374 VanDerWaalsContact C-N 3.34Å; L374-Q376 VanDerWaalsContact C-N 3.34Å; L374-Q376 PolarHBondContact O-N 2.85Å; L374-N377 PolarHBondContact O-N 3.48Å; L374-A382 HydrophobicContact CD2-CB 3.72Å; L374-A382 HydrophobicContact CG-CB 3.96Å; L374-L386 HydrophobicContact CD1-CD1 4.43Å; L374-M405 HydrophobicContact CD1-CB 3.71Å; L374-M405 HydrophobicContact CD1-CE 4.44Å; L374-M405 HydrophobicContact CD1-CG 3.98Å; L374-V408 HydrophobicContact CB-CG1 4.38Å; L374-V408 HydrophobicContact CD1-CB 4.39Å; L374-V408 HydrophobicContact CD1-CG1 4.22Å; L374-L409 HydrophobicContact CD2-CB 3.89Å; L374-L409 HydrophobicContact CD2-CD1 3.64Å; L374-L409 HydrophobicContact CD2-CG 4.38Å; L374-K412 PolarHBondContact O-NZ 3.28Å |
| 375 | L | 81.5 | Confident | 85.9 | Confident | 68 Ų | 68 | 43.6 Ų | 43.6 | 36% | 0.356 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.1 | -35.4 | 177.2 | -70.1 | 166.7 | 0 | 0 | 0 | 113 | L340 L345 Q371 C372 Q373 N377 F623 | L340-L375 HydrophobicContact CD1-CD1 3.75Å; L340-L375 HydrophobicContact CD2-CD1 4.28Å; L340-L375 HydrophobicContact CG-CD1 4.32Å; L345-L375 HydrophobicContact CD2-CB 3.77Å; L345-L375 HydrophobicContact CD2-CD1 3.96Å; Q371-L375 HydrophobicContact CG-CD1 4.46Å; Q371-L375 WeakPolarHBondContact O-CG 3.32Å; Q371-L375 PolarHBondContact O-N 2.92Å; C372-L375 PolarHBondContact O-N 3.45Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L375 PolarHBondContact O-N 3.29Å; L375-N377 PolarHBondContact O-N 2.94Å; L375-F623 HydrophobicContact CD1-CE1 3.94Å; L375-F623 HydrophobicContact CD1-CZ 4.08Å |
| 376 | Q | 84 | Confident | 86 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.2 | 175.6 | -71.1 | 177.5 | -0.8 | 0 | 0 | 114.4 | C372 Q373 L374 N378 | C372-Q376 WeakPolarHBondContact O-CB 3.36Å; C372-Q376 VanDerWaalsContact O-CG 3.3Å; C372-Q376 WeakPolarHBondContact O-CG 3.36Å; C372-Q376 PolarHBondContact O-N 3.34Å; Q373-Q376 CarbonylContact O-C 3.02Å; Q373-Q376 PolarHBondContact O-N 2.83Å; L374-Q376 VanDerWaalsContact C-N 3.34Å; L374-Q376 PolarHBondContact O-N 2.85Å; Q376-N378 VanDerWaalsContact C-N 3.25Å; Q376-N378 PolarHBondContact O-N 3.3Å |
| 377 | N | 80.9 | Confident | 86 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 22.6 | -172.5 | -66.8 | -28.1 | 0 | 0 | 0 | 114.7 | Q373 L374 L375 L379 K412 | Q373-N377 PolarHBondContact O-N 3.48Å; Q373-N377 VanDerWaalsContact O-N 3.13Å; L374-N377 PolarHBondContact O-N 3.48Å; L375-N377 PolarHBondContact O-N 2.94Å; N377-L379 VanDerWaalsContact C-N 3.27Å; N377-L379 PolarHBondContact O-N 3.46Å; N377-K412 PolarHBondContact OD1-NZ 2.82Å |
| 378 | N | 86.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 51.5 Ų | 51.5 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | trans | -82.2 | 72.6 | 172.6 | -72 | -3.1 | 0 | 0 | 0 | 110.3 | Q373 Q376 Q380 A382 | Q373-N378 HydrophobicContact CB-CB 4.23Å; Q373-N378 PolarHBondContact O-N 3.49Å; Q376-N378 VanDerWaalsContact C-N 3.25Å; Q376-N378 PolarHBondContact O-N 3.3Å; N378-Q380 PolarHBondContact O-N 3.26Å; N378-A382 WeakPolarHBondContact O-CB 3.4Å; N378-A382 PolarHBondContact O-N 2.87Å | ||
| 379 | L | 84.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69 | -32.1 | -168.3 | -56.3 | -178.2 | 0 | 0 | 0 | 114.4 | N377 S383 K412 | N377-L379 VanDerWaalsContact C-N 3.27Å; N377-L379 PolarHBondContact O-N 3.46Å; L379-S383 WeakPolarHBondContact O-CB 3.46Å; L379-S383 PolarHBondContact O-N 3.17Å; L379-K412 HydrophobicContact CD1-CB 4.06Å; L379-K412 HydrophobicContact CD2-CB 3.58Å; L379-K412 HydrophobicContact CD2-CD 3.73Å; L379-K412 HydrophobicContact CD2-CG 4.27Å; L379-K412 HydrophobicContact CG-CB 4.49Å |
| 380 | Q | 86.2 | Confident | 85.7 | Confident | 167 Ų | 167 | 53.5 Ų | 53.5 | 78% | 0.78 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.6 | -47.5 | -177.3 | -68.4 | -179.3 | -15.6 | 0 | 0 | 111.8 | N378 A382 S383 T384 | N378-Q380 PolarHBondContact O-N 3.26Å; Q380-A382 VanDerWaalsContact C-N 3.34Å; Q380-S383 PolarHBondContact O-N 3.32Å; Q380-S383 PolarHBondContact O-OG 3.12Å; Q380-S383 VanDerWaalsContact O-OG 3.06Å; Q380-T384 PolarHBondContact O-N 2.94Å; Q380-T384 PolarHBondContact O-OG1 2.66Å |
| 381 | E | 85.6 | Confident | 85.5 | Confident | 96 Ų | 96 | 60.5 Ų | 60.5 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.4 | -62.3 | -178.4 | 174.2 | 0 | 0 | 110.4 | Q373 S383 T384 Q385 | Q373-E381 PolarHBondContact NE2-OE2 3Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.48Å; E381-T384 PolarHBondContact O-N 2.97Å; E381-T384 PolarHBondContact O-OG1 2.69Å; E381-Q385 WeakPolarHBondContact O-CB 3.32Å; E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 2.96Å |
| 382 | A | 87.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V370 Q373 L374 N378 Q380 L386 L409 | V370-A382 HydrophobicContact CG1-CB 4.19Å; Q373-A382 HydrophobicContact CB-CB 4.1Å; L374-A382 HydrophobicContact CD2-CB 3.72Å; L374-A382 HydrophobicContact CG-CB 3.96Å; N378-A382 WeakPolarHBondContact O-CB 3.4Å; N378-A382 PolarHBondContact O-N 2.87Å; Q380-A382 VanDerWaalsContact C-N 3.34Å; A382-L386 VanDerWaalsContact O-CB 3.27Å; A382-L386 WeakPolarHBondContact O-CB 3.37Å; A382-L386 WeakPolarHBondContact O-CG 3.4Å; A382-L386 PolarHBondContact O-N 3.24Å; A382-L409 HydrophobicContact CB-CD1 3.95Å |
| 383 | S | 87.7 | Confident | 85 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -48 | 178.9 | 77 | 0 | 0 | 0 | 0 | 111.7 | L379 Q380 E381 Q385 L386 E387 | L379-S383 WeakPolarHBondContact O-CB 3.46Å; L379-S383 PolarHBondContact O-N 3.17Å; Q380-S383 PolarHBondContact O-N 3.32Å; Q380-S383 PolarHBondContact O-OG 3.12Å; Q380-S383 VanDerWaalsContact O-OG 3.06Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.48Å; S383-Q385 VanDerWaalsContact C-N 3.33Å; S383-Q385 PolarHBondContact O-N 3.38Å; S383-L386 PolarHBondContact O-N 3.33Å; S383-E387 WeakPolarHBondContact O-CG 3.23Å; S383-E387 PolarHBondContact O-N 3.31Å |
| 384 | T | 88.8 | Confident | 84.6 | Confident | 82 Ų | 82 | 67 Ų | 67 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 112 | Q380 E381 F388 | Q380-T384 PolarHBondContact O-N 2.94Å; Q380-T384 PolarHBondContact O-OG1 2.66Å; E381-T384 PolarHBondContact O-N 2.97Å; E381-T384 PolarHBondContact O-OG1 2.69Å; T384-F388 PolarHBondContact O-N 3.49Å |
| 385 | Q | 87.5 | Confident | 84.2 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.1 | -35.1 | 177.4 | -67.1 | -178.6 | 8.4 | 0 | 0 | 112.1 | V370 E381 S383 F388 L389 | V370-Q385 HydrophobicContact CG2-CB 3.38Å; V370-Q385 HydrophobicContact CG2-CG 4.29Å; E381-Q385 WeakPolarHBondContact O-CB 3.32Å; E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 2.96Å; S383-Q385 VanDerWaalsContact C-N 3.33Å; S383-Q385 PolarHBondContact O-N 3.38Å; Q385-F388 PolarHBondContact O-N 3.35Å; Q385-L389 WeakPolarHBondContact O-CB 3.49Å; Q385-L389 VanDerWaalsContact O-CG 3.26Å; Q385-L389 WeakPolarHBondContact O-CG 3.29Å; Q385-L389 PolarHBondContact O-N 3.46Å |
| 386 | L | 86.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 173.7 | -78.7 | 170.8 | 0 | 0 | 0 | 112.9 | V370 L374 A382 S383 F388 L389 S390 V402 M405 V406 L409 | V370-L386 HydrophobicContact CG1-CD1 4.1Å; V370-L386 HydrophobicContact CG1-CD2 3.79Å; V370-L386 HydrophobicContact CG1-CG 3.58Å; L374-L386 HydrophobicContact CD1-CD1 4.43Å; A382-L386 VanDerWaalsContact O-CB 3.27Å; A382-L386 WeakPolarHBondContact O-CB 3.37Å; A382-L386 WeakPolarHBondContact O-CG 3.4Å; A382-L386 PolarHBondContact O-N 3.24Å; S383-L386 PolarHBondContact O-N 3.33Å; L386-F388 VanDerWaalsContact C-N 3.34Å; L386-L389 HydrophobicContact CD2-CD1 4.41Å; L386-L389 PolarHBondContact O-N 3.41Å; L386-S390 VanDerWaalsContact O-CB 3.32Å; L386-S390 WeakPolarHBondContact O-CB 3.45Å; L386-S390 PolarHBondContact O-N 3.3Å; L386-S390 PolarHBondContact O-OG 3.26Å; L386-V402 HydrophobicContact CD2-CG1 4.24Å; L386-M405 HydrophobicContact CD1-CB 4.3Å; L386-M405 HydrophobicContact CD2-CB 3.74Å; L386-M405 HydrophobicContact CD2-CE 3.88Å; L386-V406 HydrophobicContact CB-CG2 4.48Å; L386-V406 HydrophobicContact CD1-CG2 4.37Å; L386-V406 HydrophobicContact CD2-CG2 4.27Å; L386-L409 HydrophobicContact CD1-CB 3.93Å; L386-L409 HydrophobicContact CD1-CD1 4.2Å; L386-L409 HydrophobicContact CD1-CD2 4.17Å; L386-L409 HydrophobicContact CD1-CG 4.32Å |
| 387 | E | 85.7 | Confident | 83.6 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.7 | -49.4 | 173.4 | -75.9 | 169.7 | -170.8 | 0 | 0 | 109.7 | S383 L389 S390 E391 | S383-E387 WeakPolarHBondContact O-CG 3.23Å; S383-E387 PolarHBondContact O-N 3.31Å; E387-L389 PolarHBondContact O-N 3.14Å; E387-S390 PolarHBondContact O-N 2.97Å; E387-S390 VanDerWaalsContact O-N 3.13Å; E387-S390 PolarHBondContact O-OG 2.81Å; E387-E391 WeakPolarHBondContact O-CG 3.32Å; E387-E391 PolarHBondContact O-N 2.91Å |
| 388 | F | 86 | Confident | 83.6 | Confident | 103 Ų | 103 | 72.8 Ų | 72.8 | 45% | 0.452 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.7 | 178.9 | -106.8 | 0 | 0 | 0 | 113 | L366 T384 Q385 L386 S390 E391 L392 | L366-F388 HydrophobicContact CD1-CE1 4.1Å; T384-F388 PolarHBondContact O-N 3.49Å; Q385-F388 PolarHBondContact O-N 3.35Å; L386-F388 VanDerWaalsContact C-N 3.34Å; F388-S390 VanDerWaalsContact C-N 3.27Å; F388-S390 PolarHBondContact O-N 3.37Å; F388-E391 PolarHBondContact O-N 3.47Å; F388-L392 HydrophobicContact CD1-CD1 3.97Å; F388-L392 HydrophobicContact CE1-CD1 3.44Å; F388-L392 VanDerWaalsContact CE1-CD1 3.44Å; F388-L392 HydrophobicContact CE1-CG 4.43Å; F388-L392 HydrophobicContact CE2-CD1 4.27Å; F388-L392 HydrophobicContact CZ-CD1 3.62Å; F388-L392 HydrophobicContact CZ-CG 4.3Å; F388-L392 WeakPolarHBondContact O-CG 3.34Å; F388-L392 PolarHBondContact O-N 3.22Å |
| 389 | L | 84.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 177.2 | -71.2 | 171.5 | 0 | 0 | 0 | 112.3 | F363 L366 K367 V370 Q385 L386 E387 L392 Q393 V402 | F363-L389 HydrophobicContact CD2-CD2 3.55Å; F363-L389 HydrophobicContact CE2-CB 4.4Å; F363-L389 HydrophobicContact CE2-CD2 3.45Å; F363-L389 VanDerWaalsContact CE2-CD2 3.45Å; F363-L389 HydrophobicContact CZ-CD2 4.34Å; L366-L389 HydrophobicContact CB-CD2 4.14Å; K367-L389 HydrophobicContact CG-CD1 4.08Å; K367-L389 HydrophobicContact CG-CD2 4.35Å; V370-L389 HydrophobicContact CG2-CD1 4.05Å; Q385-L389 WeakPolarHBondContact O-CB 3.49Å; Q385-L389 VanDerWaalsContact O-CG 3.26Å; Q385-L389 WeakPolarHBondContact O-CG 3.29Å; Q385-L389 PolarHBondContact O-N 3.46Å; L386-L389 HydrophobicContact CD2-CD1 4.41Å; L386-L389 PolarHBondContact O-N 3.41Å; E387-L389 PolarHBondContact O-N 3.14Å; L389-L392 PolarHBondContact O-N 3.47Å; L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 2.94Å; L389-V402 HydrophobicContact CB-CG1 4.25Å; L389-V402 HydrophobicContact CB-CG2 4.48Å |
| 390 | S | 82.8 | Confident | 83.7 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71 | -37.1 | 177.2 | 75.3 | 0 | 0 | 0 | 0 | 112.3 | L386 E387 F388 L392 Q393 | L386-S390 VanDerWaalsContact O-CB 3.32Å; L386-S390 WeakPolarHBondContact O-CB 3.45Å; L386-S390 PolarHBondContact O-N 3.3Å; L386-S390 PolarHBondContact O-OG 3.26Å; E387-S390 PolarHBondContact O-N 2.97Å; E387-S390 VanDerWaalsContact O-N 3.13Å; E387-S390 PolarHBondContact O-OG 2.81Å; F388-S390 VanDerWaalsContact C-N 3.27Å; F388-S390 PolarHBondContact O-N 3.37Å; S390-L392 VanDerWaalsContact C-N 3.28Å; S390-L392 PolarHBondContact O-N 3.35Å; S390-Q393 PolarHBondContact O-N 3.5Å |
| 391 | E | 83.2 | Confident | 83.7 | Confident | 148 Ų | 148 | 62.8 Ų | 62.8 | 69% | 0.692 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.9 | -28.3 | 174.8 | -72.5 | -178.3 | 175.7 | 0 | 0 | 112.7 | E387 F388 P394 | E387-E391 WeakPolarHBondContact O-CG 3.32Å; E387-E391 PolarHBondContact O-N 2.91Å; F388-E391 PolarHBondContact O-N 3.47Å; E391-P394 WeakPolarHBondContact O-CD 3.45Å |
| 392 | L | 82.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -80.6 | -19.1 | 177.8 | -69.5 | 175.6 | 0 | 0 | 0 | 114.3 | F388 L389 S390 P394 T395 I396 | F388-L392 HydrophobicContact CD1-CD1 3.97Å; F388-L392 HydrophobicContact CE1-CD1 3.44Å; F388-L392 VanDerWaalsContact CE1-CD1 3.44Å; F388-L392 HydrophobicContact CE1-CG 4.43Å; F388-L392 HydrophobicContact CE2-CD1 4.27Å; F388-L392 HydrophobicContact CZ-CD1 3.62Å; F388-L392 HydrophobicContact CZ-CG 4.3Å; F388-L392 WeakPolarHBondContact O-CG 3.34Å; F388-L392 PolarHBondContact O-N 3.22Å; L389-L392 PolarHBondContact O-N 3.47Å; S390-L392 VanDerWaalsContact C-N 3.28Å; S390-L392 PolarHBondContact O-N 3.35Å; L392-P394 VanDerWaalsContact C-N 3.35Å; L392-T395 PolarHBondContact O-N 3.27Å; L392-T395 PolarHBondContact O-OG1 3.46Å; L392-I396 HydrophobicContact CB-CD1 4.07Å; L392-I396 PolarHBondContact O-N 2.92Å |
| 393 | Q | 80.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.3 | -33.6 | -177.5 | -69.9 | -169.8 | 2.1 | 0 | 0 | 116.3 | L389 S390 T395 G397 V402 | L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 2.94Å; S390-Q393 PolarHBondContact O-N 3.5Å; Q393-T395 PolarHBondContact O-N 2.94Å; Q393-G397 CarbonylContact O-C 3.55Å; Q393-G397 VanDerWaalsContact O-C 3.23Å; Q393-G397 VanDerWaalsContact O-CA 3.26Å; Q393-G397 WeakPolarHBondContact O-CA 3.48Å; Q393-G397 PolarHBondContact O-N 3.14Å; Q393-V402 VanDerWaalsContact NE2-CG1 3.28Å |
| 394 | P | 78.6 | Confident | 84 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 75% | 0.747 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.8 | -26.5 | 176.7 | -20.2 | 31.8 | 0 | 0 | 0 | 113.1 | E391 L392 | E391-P394 WeakPolarHBondContact O-CD 3.45Å; L392-P394 VanDerWaalsContact C-N 3.35Å |
| 395 | T | 76.9 | Confident | 84.1 | Confident | 115 Ų | 115 | 54.7 Ų | 54.7 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -92.8 | -36.1 | -176.9 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | L392 Q393 | L392-T395 PolarHBondContact O-N 3.27Å; L392-T395 PolarHBondContact O-OG1 3.46Å; Q393-T395 PolarHBondContact O-N 2.94Å |
| 396 | I | 73.8 | Confident | 84.1 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 48% | 0.482 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -97.7 | -19.3 | -174 | -57.6 | 171.4 | 0 | 0 | 0 | 111.6 | F363 L392 | F363-I396 HydrophobicContact CB-CD1 4.13Å; F363-I396 HydrophobicContact CD1-CG2 4.21Å; F363-I396 HydrophobicContact CD2-CD1 3.49Å; F363-I396 VanDerWaalsContact CD2-CD1 3.49Å; F363-I396 HydrophobicContact CE1-CG2 4.32Å; F363-I396 HydrophobicContact CE2-CD1 3.98Å; F363-I396 HydrophobicContact CG-CD1 3.85Å; F363-I396 HydrophobicContact CG-CG2 4.43Å; L392-I396 HydrophobicContact CB-CD1 4.07Å; L392-I396 PolarHBondContact O-N 2.92Å |
| 397 | G | 79.4 | Confident | 84.1 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | trans | 99.4 | 151.2 | -168 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q393 S399 | Q393-G397 CarbonylContact O-C 3.55Å; Q393-G397 VanDerWaalsContact O-C 3.23Å; Q393-G397 VanDerWaalsContact O-CA 3.26Å; Q393-G397 WeakPolarHBondContact O-CA 3.48Å; Q393-G397 PolarHBondContact O-N 3.14Å; G397-S399 PolarHBondContact O-N 2.79Å | ||
| 398 | K | 81.5 | Confident | 84.1 | Confident | 124 Ų | 124 | 48 Ų | 48 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | trans | -66.8 | 128.6 | 177 | -67.2 | -171.5 | 169 | -162.9 | 0 | 110.4 | E426 L430 | K398-E426 WeakPolarHBondContact CD-OE1 3.27Å; K398-E426 IonicContact NZ-OE1 3.52Å; K398-E426 PolarHBondContact NZ-OE1 3.14Å; K398-L430 HydrophobicContact CB-CD1 3.71Å; K398-L430 HydrophobicContact CB-CD2 3.98Å | ||
| 399 | S | 85 | Confident | 84.1 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | trans | -101.9 | 128.1 | 179.1 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | G397 E401 V402 S403 | G397-S399 PolarHBondContact O-N 2.79Å; S399-E401 VanDerWaalsContact C-N 3.28Å; S399-E401 PolarHBondContact O-N 3.27Å; S399-E401 PolarHBondContact OG-N 2.69Å; S399-V402 PolarHBondContact O-N 3.5Å; S399-S403 PolarHBondContact O-N 2.89Å | ||
| 400 | S | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | Y404 A427 Q431 K434 | S400-Y404 WeakPolarHBondContact O-CB 3.49Å; S400-Y404 PolarHBondContact O-N 3.29Å; S400-A427 VanDerWaalsContact CB-O 3.31Å; S400-A427 WeakPolarHBondContact CB-O 3.42Å; S400-A427 VanDerWaalsContact O-CB 3.25Å; S400-A427 WeakPolarHBondContact O-CB 3.36Å; S400-Q431 PolarHBondContact OG-OE1 3.09Å; S400-K434 PolarHBondContact OG-NZ 2.99Å; S400-K434 VanDerWaalsContact OG-NZ 3.13Å |
| 401 | E | 86.4 | Confident | 84.2 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.4 | -64.7 | 158 | 174 | 0 | 0 | 112.2 | K367 S399 Y404 M405 F452 | K367-E401 IonicContact NZ-OE2 3.7Å; K367-E401 PolarHBondContact NZ-OE2 3.15Å; S399-E401 VanDerWaalsContact C-N 3.28Å; S399-E401 PolarHBondContact O-N 3.27Å; S399-E401 PolarHBondContact OG-N 2.69Å; E401-Y404 WeakPolarHBondContact O-CB 3.09Å; E401-Y404 PolarHBondContact O-N 3.4Å; E401-M405 WeakPolarHBondContact O-CB 3.49Å; E401-M405 WeakPolarHBondContact O-CG 3.44Å; E401-M405 PolarHBondContact O-N 3.24Å; E401-M405 VanDerWaalsContact O-SD 3.42Å; E401-F452 HydrophobicContact CB-CZ 4.49Å; E401-F452 HydrophobicContact CG-CE2 4.11Å; E401-F452 HydrophobicContact CG-CZ 4.11Å |
| 402 | V | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.1 | -45.3 | 180 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | F363 K367 L386 L389 Q393 S399 Y404 M405 V406 | F363-V402 HydrophobicContact CZ-CG2 3.99Å; K367-V402 HydrophobicContact CD-CG2 3.79Å; K367-V402 HydrophobicContact CG-CG2 3.92Å; L386-V402 HydrophobicContact CD2-CG1 4.24Å; L389-V402 HydrophobicContact CB-CG1 4.25Å; L389-V402 HydrophobicContact CB-CG2 4.48Å; Q393-V402 VanDerWaalsContact NE2-CG1 3.28Å; S399-V402 PolarHBondContact O-N 3.5Å; V402-Y404 VanDerWaalsContact C-N 3.3Å; V402-Y404 PolarHBondContact O-N 2.92Å; V402-M405 PolarHBondContact O-N 3.34Å; V402-V406 WeakPolarHBondContact O-CG2 3.21Å; V402-V406 PolarHBondContact O-N 2.8Å |
| 403 | S | 88.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | S399 V406 A407 P423 E426 | S399-S403 PolarHBondContact O-N 2.89Å; S403-V406 PolarHBondContact O-N 2.9Å; S403-A407 PolarHBondContact O-N 3.4Å; S403-P423 WeakPolarHBondContact CB-O 3.47Å; S403-P423 WeakPolarHBondContact O-CB 3.43Å; S403-E426 PolarHBondContact OG-OE2 2.99Å; S403-E426 VanDerWaalsContact OG-OE2 3.11Å |
| 404 | Y | 90.4 | Very high | 83.7 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 172.4 | 167.7 | -99.8 | 0 | 0 | 0 | 112.5 | S400 E401 V402 V406 A407 V408 L424 F452 Q455 I456 E459 | S400-Y404 WeakPolarHBondContact O-CB 3.49Å; S400-Y404 PolarHBondContact O-N 3.29Å; E401-Y404 WeakPolarHBondContact O-CB 3.09Å; E401-Y404 PolarHBondContact O-N 3.4Å; V402-Y404 VanDerWaalsContact C-N 3.3Å; V402-Y404 PolarHBondContact O-N 2.92Å; Y404-V406 VanDerWaalsContact C-N 3.32Å; Y404-V406 PolarHBondContact O-N 3.16Å; Y404-A407 WeakPolarHBondContact O-CA 3.12Å; Y404-A407 VanDerWaalsContact O-CB 3.29Å; Y404-A407 WeakPolarHBondContact O-CB 3.35Å; Y404-A407 PolarHBondContact O-N 2.79Å; Y404-V408 HydrophobicContact CD1-CG2 4.36Å; Y404-V408 HydrophobicContact CD2-CG2 4.44Å; Y404-V408 HydrophobicContact CE1-CG2 3.87Å; Y404-V408 HydrophobicContact CE2-CG2 3.96Å; Y404-V408 WeakPolarHBondContact O-CG2 3.29Å; Y404-V408 PolarHBondContact O-N 3.5Å; Y404-L424 HydrophobicContact CD2-CD1 4.05Å; Y404-F452 AromaticContact CD1-CE2 3.81Å; Y404-F452 HydrophobicContact CD1-CE2 3.81Å; Y404-F452 HydrophobicContact CD2-CE2 4.46Å; Y404-F452 HydrophobicContact CE1-CE2 4.47Å; Y404-F452 AromaticContact CG-CE2 3.8Å; Y404-F452 HydrophobicContact CG-CE2 3.8Å; Y404-F452 HydrophobicContact CG-CZ 4.2Å; Y404-Q455 HydrophobicContact CE2-CB 4.16Å; Y404-I456 HydrophobicContact CD2-CG1 3.9Å; Y404-I456 HydrophobicContact CE2-CG1 4.42Å; Y404-E459 HydrophobicContact CD2-CG 4.45Å; Y404-E459 HydrophobicContact CE2-CB 4.38Å; Y404-E459 HydrophobicContact CE2-CG 3.51Å |
| 405 | M | 89.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -35 | 179.2 | -70.9 | 158.9 | 65.5 | 0 | 0 | 112.7 | K367 V370 Q371 L374 L386 E401 V402 A407 V408 L409 | K367-M405 WeakPolarHBondContact O-CE 3.3Å; V370-M405 HydrophobicContact CB-CE 3.27Å; V370-M405 HydrophobicContact CG1-CE 3.11Å; V370-M405 HydrophobicContact CG2-CE 4.44Å; Q371-M405 HydrophobicContact CB-CE 4.35Å; L374-M405 HydrophobicContact CD1-CB 3.71Å; L374-M405 HydrophobicContact CD1-CE 4.44Å; L374-M405 HydrophobicContact CD1-CG 3.98Å; L386-M405 HydrophobicContact CD1-CB 4.3Å; L386-M405 HydrophobicContact CD2-CB 3.74Å; L386-M405 HydrophobicContact CD2-CE 3.88Å; E401-M405 WeakPolarHBondContact O-CB 3.49Å; E401-M405 WeakPolarHBondContact O-CG 3.44Å; E401-M405 PolarHBondContact O-N 3.24Å; E401-M405 VanDerWaalsContact O-SD 3.42Å; V402-M405 PolarHBondContact O-N 3.34Å; M405-A407 VanDerWaalsContact C-N 3.34Å; M405-V408 PolarHBondContact O-N 3.22Å; M405-L409 WeakPolarHBondContact O-CB 3.47Å; M405-L409 PolarHBondContact O-N 2.95Å |
| 406 | V | 88.4 | Confident | 83.3 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 170.2 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L386 V402 S403 Y404 L409 R410 P423 | L386-V406 HydrophobicContact CB-CG2 4.48Å; L386-V406 HydrophobicContact CD1-CG2 4.37Å; L386-V406 HydrophobicContact CD2-CG2 4.27Å; V402-V406 WeakPolarHBondContact O-CG2 3.21Å; V402-V406 PolarHBondContact O-N 2.8Å; S403-V406 PolarHBondContact O-N 2.9Å; Y404-V406 VanDerWaalsContact C-N 3.32Å; Y404-V406 PolarHBondContact O-N 3.16Å; V406-L409 PolarHBondContact O-N 3.5Å; V406-R410 HydrophobicContact CG1-CG 4.39Å; V406-R410 WeakPolarHBondContact O-CB 3.3Å; V406-R410 WeakPolarHBondContact O-CG 3.45Å; V406-R410 PolarHBondContact O-N 3.4Å; V406-P423 HydrophobicContact CB-CB 4.33Å; V406-P423 HydrophobicContact CG1-CB 4.08Å; V406-P423 HydrophobicContact CG1-CG 4.22Å |
| 407 | A | 86 | Confident | 83.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S403 Y404 M405 R410 R411 I420 P423 L424 | S403-A407 PolarHBondContact O-N 3.4Å; Y404-A407 WeakPolarHBondContact O-CA 3.12Å; Y404-A407 VanDerWaalsContact O-CB 3.29Å; Y404-A407 WeakPolarHBondContact O-CB 3.35Å; Y404-A407 PolarHBondContact O-N 2.79Å; M405-A407 VanDerWaalsContact C-N 3.34Å; A407-R410 PolarHBondContact O-N 3.01Å; A407-R411 PolarHBondContact O-N 3.49Å; A407-I420 HydrophobicContact CB-CG2 4.31Å; A407-P423 HydrophobicContact CB-CB 4.4Å; A407-P423 HydrophobicContact CB-CG 3.87Å; A407-L424 HydrophobicContact CB-CB 4.02Å; A407-L424 HydrophobicContact CB-CD1 4.29Å |
| 408 | V | 85.3 | Confident | 83 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 112 | L374 Y404 M405 R411 K412 E459 | L374-V408 HydrophobicContact CB-CG1 4.38Å; L374-V408 HydrophobicContact CD1-CB 4.39Å; L374-V408 HydrophobicContact CD1-CG1 4.22Å; Y404-V408 HydrophobicContact CD1-CG2 4.36Å; Y404-V408 HydrophobicContact CD2-CG2 4.44Å; Y404-V408 HydrophobicContact CE1-CG2 3.87Å; Y404-V408 HydrophobicContact CE2-CG2 3.96Å; Y404-V408 WeakPolarHBondContact O-CG2 3.29Å; Y404-V408 PolarHBondContact O-N 3.5Å; M405-V408 PolarHBondContact O-N 3.22Å; V408-R411 PolarHBondContact O-N 2.93Å; V408-K412 WeakPolarHBondContact O-CG 3.38Å; V408-K412 PolarHBondContact O-N 3.31Å; V408-E459 HydrophobicContact CG2-CG 4.16Å |
| 409 | L | 86.9 | Confident | 82.8 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 174.6 | -176.2 | 95 | 0 | 0 | 0 | 110.3 | L374 A382 L386 M405 V406 R411 K412 Q413 | L374-L409 HydrophobicContact CD2-CB 3.89Å; L374-L409 HydrophobicContact CD2-CD1 3.64Å; L374-L409 HydrophobicContact CD2-CG 4.38Å; A382-L409 HydrophobicContact CB-CD1 3.95Å; L386-L409 HydrophobicContact CD1-CB 3.93Å; L386-L409 HydrophobicContact CD1-CD1 4.2Å; L386-L409 HydrophobicContact CD1-CD2 4.17Å; L386-L409 HydrophobicContact CD1-CG 4.32Å; M405-L409 WeakPolarHBondContact O-CB 3.47Å; M405-L409 PolarHBondContact O-N 2.95Å; V406-L409 PolarHBondContact O-N 3.5Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.03Å; L409-K412 PolarHBondContact O-N 3.42Å; L409-K412 VanDerWaalsContact O-N 3.08Å; L409-Q413 HydrophobicContact CG-CG 4.49Å; L409-Q413 WeakPolarHBondContact O-CG 3.45Å; L409-Q413 PolarHBondContact O-N 3.24Å |
| 410 | R | 86.2 | Confident | 82.7 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -38.8 | -179.5 | -70.9 | 179.1 | -177.7 | 177.7 | 3.3 | 111.8 | V406 A407 Q413 G414 L415 Q419 I420 P423 | V406-R410 HydrophobicContact CG1-CG 4.39Å; V406-R410 WeakPolarHBondContact O-CB 3.3Å; V406-R410 WeakPolarHBondContact O-CG 3.45Å; V406-R410 PolarHBondContact O-N 3.4Å; A407-R410 PolarHBondContact O-N 3.01Å; R410-Q413 PolarHBondContact O-N 3.4Å; R410-G414 PolarHBondContact O-N 3.28Å; R410-L415 HydrophobicContact CB-CB 4.38Å; R410-L415 HydrophobicContact CB-CD1 3.86Å; R410-L415 HydrophobicContact CG-CD1 3.72Å; R410-L415 WeakPolarHBondContact O-CB 3.33Å; R410-L415 PolarHBondContact O-N 3.46Å; R410-L415 VanDerWaalsContact O-N 3.09Å; R410-Q419 WeakPolarHBondContact CD-O 3.47Å; R410-Q419 PolarHBondContact NH1-O 3.1Å; R410-I420 HydrophobicContact CB-CG1 3.88Å; R410-P423 VanDerWaalsContact NH1-CD 3.33Å |
| 411 | R | 82.6 | Confident | 82.4 | Confident | 69 Ų | 69 | 43 Ų | 43 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 171.6 | -176 | -163.8 | 63 | -176.6 | -17.8 | 111.5 | A407 V408 L409 Q413 G414 I420 E459 | A407-R411 PolarHBondContact O-N 3.49Å; V408-R411 PolarHBondContact O-N 2.93Å; L409-R411 VanDerWaalsContact C-N 3.29Å; L409-R411 PolarHBondContact O-N 3.03Å; R411-Q413 VanDerWaalsContact C-N 3.26Å; R411-Q413 PolarHBondContact O-N 3.09Å; R411-G414 PolarHBondContact O-N 3.2Å; R411-I420 HydrophobicContact CB-CD1 4.04Å; R411-I420 HydrophobicContact CB-CG2 4.45Å; R411-E459 VanDerWaalsContact CD-OE2 3.3Å; R411-E459 WeakPolarHBondContact CD-OE2 3.36Å; R411-E459 VanDerWaalsContact CZ-CD 3.44Å; R411-E459 IonicContact CZ-OE1 2.88Å; R411-E459 IonicContact CZ-OE2 2.76Å; R411-E459 IonicContact NE-OE1 2.97Å; R411-E459 IonicContact NE-OE2 3.36Å; R411-E459 PolarHBondContact NE-OE2 2.9Å; R411-E459 IonicContact NH1-OE1 2.7Å; R411-E459 PolarHBondContact NH1-OE1 3.29Å; R411-E459 IonicContact NH1-OE2 3.31Å; R411-E459 PolarHBondContact NH1-OE2 3.19Å; R411-E459 IonicContact NH2-OE1 3.57Å; R411-E459 PolarHBondContact NH2-OE1 3.4Å; R411-E459 IonicContact NH2-OE2 3.41Å |
| 412 | K | 80.5 | Confident | 82.4 | Confident | 62 Ų | 62 | 44 Ų | 44 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -24.5 | -179.7 | -70.7 | -164.9 | 176.6 | -158.8 | 0 | 113.6 | L374 N377 L379 V408 L409 G414 | L374-K412 PolarHBondContact O-NZ 3.28Å; N377-K412 PolarHBondContact OD1-NZ 2.82Å; L379-K412 HydrophobicContact CD1-CB 4.06Å; L379-K412 HydrophobicContact CD2-CB 3.58Å; L379-K412 HydrophobicContact CD2-CD 3.73Å; L379-K412 HydrophobicContact CD2-CG 4.27Å; L379-K412 HydrophobicContact CG-CB 4.49Å; V408-K412 WeakPolarHBondContact O-CG 3.38Å; V408-K412 PolarHBondContact O-N 3.31Å; L409-K412 PolarHBondContact O-N 3.42Å; L409-K412 VanDerWaalsContact O-N 3.08Å; K412-G414 VanDerWaalsContact C-N 3.28Å |
| 413 | Q | 82.7 | Confident | 82.3 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.6 | 171.4 | -71.2 | 174.1 | -17.7 | 0 | 0 | 113.4 | L409 R410 R411 L415 | L409-Q413 HydrophobicContact CG-CG 4.49Å; L409-Q413 WeakPolarHBondContact O-CG 3.45Å; L409-Q413 PolarHBondContact O-N 3.24Å; R410-Q413 PolarHBondContact O-N 3.4Å; R411-Q413 VanDerWaalsContact C-N 3.26Å; R411-Q413 PolarHBondContact O-N 3.09Å; Q413-L415 HydrophobicContact CB-CD1 4.36Å; Q413-L415 HydrophobicContact CB-CG 4.18Å |
| 414 | G | 72.4 | Confident | 82.2 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 24.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R410 R411 K412 | R410-G414 PolarHBondContact O-N 3.28Å; R411-G414 PolarHBondContact O-N 3.2Å; K412-G414 VanDerWaalsContact C-N 3.28Å |
| 415 | L | 76.7 | Confident | 81.9 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | trans | -71.1 | 162.9 | 179.2 | -68.8 | 171.1 | 0 | 0 | 0 | 112.2 | R410 Q413 I420 | R410-L415 HydrophobicContact CB-CB 4.38Å; R410-L415 HydrophobicContact CB-CD1 3.86Å; R410-L415 HydrophobicContact CG-CD1 3.72Å; R410-L415 WeakPolarHBondContact O-CB 3.33Å; R410-L415 PolarHBondContact O-N 3.46Å; R410-L415 VanDerWaalsContact O-N 3.09Å; Q413-L415 HydrophobicContact CB-CD1 4.36Å; Q413-L415 HydrophobicContact CB-CG 4.18Å; L415-I420 WeakPolarHBondContact O-CD1 3.41Å | ||
| 416 | S | 71.2 | Confident | 81.8 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | trans | -58.6 | 148.1 | -179.3 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | S418 Q419 I420 | S416-S418 VanDerWaalsContact C-N 3.25Å; S416-S418 PolarHBondContact O-N 3.24Å; S416-S418 PolarHBondContact OG-OG 3.47Å; S416-Q419 PolarHBondContact O-N 2.97Å; S416-Q419 VanDerWaalsContact O-N 3.08Å; S416-Q419 WeakPolarHBondContact OG-CG 3.39Å; S416-I420 PolarHBondContact O-N 3.42Å | ||
| 417 | P | 71.4 | Confident | 81.8 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.6 | -30.6 | -176.2 | 23 | -33.3 | 0 | 0 | 0 | 113.4 | Q419 I420 L421 | P417-Q419 VanDerWaalsContact C-N 3.35Å; P417-Q419 PolarHBondContact O-N 3.31Å; P417-I420 PolarHBondContact O-N 3.39Å; P417-L421 WeakPolarHBondContact O-CB 3.42Å; P417-L421 VanDerWaalsContact O-CG 3.24Å; P417-L421 WeakPolarHBondContact O-CG 3.4Å; P417-L421 PolarHBondContact O-N 3.47Å |
| 418 | S | 74.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | S416 I420 T422 | S416-S418 VanDerWaalsContact C-N 3.25Å; S416-S418 PolarHBondContact O-N 3.24Å; S416-S418 PolarHBondContact OG-OG 3.47Å; S418-I420 VanDerWaalsContact C-N 3.27Å; S418-I420 PolarHBondContact O-N 3.21Å; S418-T422 WeakPolarHBondContact O-CG2 3.33Å; S418-T422 PolarHBondContact O-N 3.39Å; S418-T422 PolarHBondContact O-OG1 3.15Å; S418-T422 VanDerWaalsContact O-OG1 3.1Å |
| 419 | Q | 77.9 | Confident | 81.8 | Confident | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71 | -24.8 | 176 | -67.7 | 177.2 | -4 | 0 | 0 | 112 | R410 S416 P417 T422 P423 | R410-Q419 WeakPolarHBondContact CD-O 3.47Å; R410-Q419 PolarHBondContact NH1-O 3.1Å; S416-Q419 PolarHBondContact O-N 2.97Å; S416-Q419 VanDerWaalsContact O-N 3.08Å; S416-Q419 WeakPolarHBondContact OG-CG 3.39Å; P417-Q419 VanDerWaalsContact C-N 3.35Å; P417-Q419 PolarHBondContact O-N 3.31Å; Q419-T422 PolarHBondContact O-OG1 2.89Å; Q419-P423 WeakPolarHBondContact O-CD 3.1Å |
| 420 | I | 82.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -82.1 | -42 | 176.9 | -60.1 | 165 | 0 | 0 | 0 | 111 | A407 R410 R411 L415 S416 P417 S418 T422 P423 L424 H463 | A407-I420 HydrophobicContact CB-CG2 4.31Å; R410-I420 HydrophobicContact CB-CG1 3.88Å; R411-I420 HydrophobicContact CB-CD1 4.04Å; R411-I420 HydrophobicContact CB-CG2 4.45Å; L415-I420 WeakPolarHBondContact O-CD1 3.41Å; S416-I420 PolarHBondContact O-N 3.42Å; P417-I420 PolarHBondContact O-N 3.39Å; S418-I420 VanDerWaalsContact C-N 3.27Å; S418-I420 PolarHBondContact O-N 3.21Å; I420-T422 PolarHBondContact O-N 3.44Å; I420-P423 VanDerWaalsContact O-CD 3.23Å; I420-P423 WeakPolarHBondContact O-CD 3.39Å; I420-P423 VanDerWaalsContact O-CG 3.29Å; I420-P423 WeakPolarHBondContact O-CG 3.48Å; I420-L424 WeakPolarHBondContact O-CB 3.5Å; I420-L424 PolarHBondContact O-N 2.99Å; I420-H463 WeakPolarHBondContact CG2-NE2 3.5Å |
| 421 | L | 82.7 | Confident | 81.8 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.6 | -31 | -176.2 | -70.9 | 171.7 | 0 | 0 | 0 | 113.4 | P417 L424 N425 Y460 V491 | P417-L421 WeakPolarHBondContact O-CB 3.42Å; P417-L421 VanDerWaalsContact O-CG 3.24Å; P417-L421 WeakPolarHBondContact O-CG 3.4Å; P417-L421 PolarHBondContact O-N 3.47Å; L421-L424 HydrophobicContact CD2-CD2 4.45Å; L421-L424 PolarHBondContact O-N 3.41Å; L421-N425 WeakPolarHBondContact O-CB 3.39Å; L421-N425 PolarHBondContact O-N 2.92Å; L421-N425 PolarHBondContact O-OD1 2.93Å; L421-Y460 HydrophobicContact CD2-CD1 3.87Å; L421-Y460 HydrophobicContact CD2-CE1 3.95Å; L421-V491 HydrophobicContact CD1-CG2 4.04Å; L421-V491 HydrophobicContact CD2-CG2 3.93Å |
| 422 | T | 85.1 | Confident | 81.8 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.9 | -54.6 | 178.9 | 39.4 | 0 | 0 | 0 | 0 | 113.8 | S418 Q419 I420 L424 N425 E426 | S418-T422 WeakPolarHBondContact O-CG2 3.33Å; S418-T422 PolarHBondContact O-N 3.39Å; S418-T422 PolarHBondContact O-OG1 3.15Å; S418-T422 VanDerWaalsContact O-OG1 3.1Å; Q419-T422 PolarHBondContact O-OG1 2.89Å; I420-T422 PolarHBondContact O-N 3.44Å; T422-L424 VanDerWaalsContact C-N 3.3Å; T422-L424 PolarHBondContact O-N 3.24Å; T422-N425 PolarHBondContact O-N 2.81Å; T422-E426 PolarHBondContact O-N 3.45Å |
| 423 | P | 86.3 | Confident | 82 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.2 | -27.1 | 176.2 | 29.5 | -37.4 | 0 | 0 | 0 | 112.2 | S403 V406 A407 R410 Q419 I420 E426 A427 | S403-P423 WeakPolarHBondContact CB-O 3.47Å; S403-P423 WeakPolarHBondContact O-CB 3.43Å; V406-P423 HydrophobicContact CB-CB 4.33Å; V406-P423 HydrophobicContact CG1-CB 4.08Å; V406-P423 HydrophobicContact CG1-CG 4.22Å; A407-P423 HydrophobicContact CB-CB 4.4Å; A407-P423 HydrophobicContact CB-CG 3.87Å; R410-P423 VanDerWaalsContact NH1-CD 3.33Å; Q419-P423 WeakPolarHBondContact O-CD 3.1Å; I420-P423 VanDerWaalsContact O-CD 3.23Å; I420-P423 WeakPolarHBondContact O-CD 3.39Å; I420-P423 VanDerWaalsContact O-CG 3.29Å; I420-P423 WeakPolarHBondContact O-CG 3.48Å; P423-E426 PolarHBondContact O-N 3.46Å; P423-A427 WeakPolarHBondContact O-CB 3.5Å; P423-A427 PolarHBondContact O-N 3.08Å |
| 424 | L | 86.7 | Confident | 82 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.1 | -167.5 | 62.5 | 0 | 0 | 0 | 112.3 | Y404 A407 I420 L421 T422 A427 M428 I456 E459 Y460 | Y404-L424 HydrophobicContact CD2-CD1 4.05Å; A407-L424 HydrophobicContact CB-CB 4.02Å; A407-L424 HydrophobicContact CB-CD1 4.29Å; I420-L424 WeakPolarHBondContact O-CB 3.5Å; I420-L424 PolarHBondContact O-N 2.99Å; L421-L424 HydrophobicContact CD2-CD2 4.45Å; L421-L424 PolarHBondContact O-N 3.41Å; T422-L424 VanDerWaalsContact C-N 3.3Å; T422-L424 PolarHBondContact O-N 3.24Å; L424-A427 PolarHBondContact O-N 3.34Å; L424-M428 PolarHBondContact O-N 3.24Å; L424-M428 VanDerWaalsContact O-N 3.14Å; L424-I456 HydrophobicContact CD1-CG2 4.06Å; L424-E459 HydrophobicContact CD1-CB 4.14Å; L424-E459 HydrophobicContact CD2-CB 4.09Å; L424-Y460 HydrophobicContact CB-CE1 4.34Å; L424-Y460 HydrophobicContact CD2-CD1 3.37Å; L424-Y460 HydrophobicContact CD2-CD2 3.93Å; L424-Y460 HydrophobicContact CD2-CE1 3.48Å; L424-Y460 VanDerWaalsContact CD2-CE1 3.48Å; L424-Y460 HydrophobicContact CD2-CE2 4.02Å; L424-Y460 HydrophobicContact CD2-CG 3.61Å; L424-Y460 HydrophobicContact CG-CD1 4.14Å; L424-Y460 HydrophobicContact CG-CD2 4.2Å; L424-Y460 HydrophobicContact CG-CE1 3.76Å; L424-Y460 HydrophobicContact CG-CE2 3.82Å; L424-Y460 HydrophobicContact CG-CG 4.34Å; L424-Y460 PolarHBondContact O-OH 3.3Å |
| 425 | N | 85.6 | Confident | 82.3 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 172 | -70.9 | -11.9 | 0 | 0 | 0 | 111.5 | L421 T422 A427 M428 E429 Y460 R494 | L421-N425 WeakPolarHBondContact O-CB 3.39Å; L421-N425 PolarHBondContact O-N 2.92Å; L421-N425 PolarHBondContact O-OD1 2.93Å; T422-N425 PolarHBondContact O-N 2.81Å; N425-A427 VanDerWaalsContact C-N 3.32Å; N425-A427 PolarHBondContact O-N 3.5Å; N425-M428 WeakPolarHBondContact O-CB 3.24Å; N425-M428 PolarHBondContact O-N 3.07Å; N425-E429 WeakPolarHBondContact O-CG 3.46Å; N425-E429 PolarHBondContact O-N 2.9Å; N425-Y460 VanDerWaalsContact CA-OH 3.28Å; N425-Y460 WeakPolarHBondContact CA-OH 3.38Å; N425-Y460 PolarHBondContact N-OH 3.05Å; N425-Y460 PolarHBondContact OD1-OH 3.2Å; N425-R494 VanDerWaalsContact ND2-CZ 3.28Å; N425-R494 PolarHBondContact ND2-NH1 3.25Å; N425-R494 VanDerWaalsContact OD1-CD 3.28Å; N425-R494 WeakPolarHBondContact OD1-CD 3.43Å; N425-R494 PolarHBondContact OD1-NH1 3Å |
| 426 | E | 86.9 | Confident | 82.3 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.4 | -174.3 | 179.6 | -149 | 0 | 0 | 111.2 | K398 S403 T422 P423 M428 E429 L430 | K398-E426 WeakPolarHBondContact CD-OE1 3.27Å; K398-E426 IonicContact NZ-OE1 3.52Å; K398-E426 PolarHBondContact NZ-OE1 3.14Å; S403-E426 PolarHBondContact OG-OE2 2.99Å; S403-E426 VanDerWaalsContact OG-OE2 3.11Å; T422-E426 PolarHBondContact O-N 3.45Å; P423-E426 PolarHBondContact O-N 3.46Å; E426-M428 VanDerWaalsContact C-N 3.31Å; E426-M428 PolarHBondContact O-N 3.32Å; E426-E429 PolarHBondContact O-N 3.37Å; E426-L430 HydrophobicContact CG-CD1 3.92Å; E426-L430 HydrophobicContact CG-CG 4.37Å; E426-L430 WeakPolarHBondContact O-CB 3.27Å; E426-L430 VanDerWaalsContact O-CG 3.24Å; E426-L430 WeakPolarHBondContact O-CG 3.21Å; E426-L430 PolarHBondContact O-N 2.82Å |
| 427 | A | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S400 P423 L424 N425 Q431 I456 | S400-A427 VanDerWaalsContact CB-O 3.31Å; S400-A427 WeakPolarHBondContact CB-O 3.42Å; S400-A427 VanDerWaalsContact O-CB 3.25Å; S400-A427 WeakPolarHBondContact O-CB 3.36Å; P423-A427 WeakPolarHBondContact O-CB 3.5Å; P423-A427 PolarHBondContact O-N 3.08Å; L424-A427 PolarHBondContact O-N 3.34Å; N425-A427 VanDerWaalsContact C-N 3.32Å; N425-A427 PolarHBondContact O-N 3.5Å; A427-Q431 WeakPolarHBondContact O-CB 3.29Å; A427-Q431 PolarHBondContact O-N 3.24Å; A427-Q431 VanDerWaalsContact O-N 3.15Å; A427-I456 HydrophobicContact CB-CD1 4.46Å |
| 428 | M | 85.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -50.5 | 177.8 | 176 | -173.4 | 75 | 0 | 0 | 112.1 | L424 N425 E426 L430 Q431 L432 Y460 R494 I498 | L424-M428 PolarHBondContact O-N 3.24Å; L424-M428 VanDerWaalsContact O-N 3.14Å; N425-M428 WeakPolarHBondContact O-CB 3.24Å; N425-M428 PolarHBondContact O-N 3.07Å; E426-M428 VanDerWaalsContact C-N 3.31Å; E426-M428 PolarHBondContact O-N 3.32Å; M428-L430 VanDerWaalsContact C-N 3.34Å; M428-L430 PolarHBondContact O-N 3.3Å; M428-Q431 PolarHBondContact O-N 3.1Å; M428-L432 HydrophobicContact CG-CD1 4.08Å; M428-L432 PolarHBondContact O-N 3.3Å; M428-Y460 HydrophobicContact SD-CE2 4.23Å; M428-R494 HydrophobicContact CE-CB 4.46Å; M428-R494 HydrophobicContact SD-CB 4.26Å; M428-I498 HydrophobicContact CB-CD1 4.37Å; M428-I498 HydrophobicContact CG-CD1 3.68Å; M428-I498 HydrophobicContact CG-CG1 3.71Å; M428-I498 HydrophobicContact SD-CD1 3.65Å; M428-I498 HydrophobicContact SD-CG1 3.68Å |
| 429 | E | 85.8 | Confident | 82.8 | Confident | 129 Ų | 129 | 55.2 Ų | 55.2 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | -178.6 | -74.2 | 178.7 | -176.2 | 0 | 0 | 111.9 | N425 E426 Q431 L432 H433 | N425-E429 WeakPolarHBondContact O-CG 3.46Å; N425-E429 PolarHBondContact O-N 2.9Å; E426-E429 PolarHBondContact O-N 3.37Å; E429-Q431 VanDerWaalsContact C-N 3.34Å; E429-Q431 PolarHBondContact O-N 3.28Å; E429-L432 PolarHBondContact O-N 3.39Å; E429-H433 VanDerWaalsContact O-CB 3.31Å; E429-H433 WeakPolarHBondContact O-CB 3.42Å; E429-H433 PolarHBondContact O-N 3.4Å |
| 430 | L | 85.9 | Confident | 82.9 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.3 | -71.2 | 172.3 | 0 | 0 | 0 | 111.9 | K398 E426 M428 H433 K434 | K398-L430 HydrophobicContact CB-CD1 3.71Å; K398-L430 HydrophobicContact CB-CD2 3.98Å; E426-L430 HydrophobicContact CG-CD1 3.92Å; E426-L430 HydrophobicContact CG-CG 4.37Å; E426-L430 WeakPolarHBondContact O-CB 3.27Å; E426-L430 VanDerWaalsContact O-CG 3.24Å; E426-L430 WeakPolarHBondContact O-CG 3.21Å; E426-L430 PolarHBondContact O-N 2.82Å; M428-L430 VanDerWaalsContact C-N 3.34Å; M428-L430 PolarHBondContact O-N 3.3Å; L430-H433 PolarHBondContact O-N 3Å; L430-K434 PolarHBondContact O-N 3Å |
| 431 | Q | 86.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 179.1 | -169.7 | 63.7 | 8.9 | 0 | 0 | 111.8 | S400 A427 M428 E429 H433 K434 L447 L448 F452 L453 | S400-Q431 PolarHBondContact OG-OE1 3.09Å; A427-Q431 WeakPolarHBondContact O-CB 3.29Å; A427-Q431 PolarHBondContact O-N 3.24Å; A427-Q431 VanDerWaalsContact O-N 3.15Å; M428-Q431 PolarHBondContact O-N 3.1Å; E429-Q431 VanDerWaalsContact C-N 3.34Å; E429-Q431 PolarHBondContact O-N 3.28Å; Q431-H433 VanDerWaalsContact C-N 3.32Å; Q431-H433 PolarHBondContact O-N 3.4Å; Q431-K434 WeakPolarHBondContact O-CB 3.39Å; Q431-K434 PolarHBondContact O-N 3.42Å; Q431-L447 PolarHBondContact NE2-O 2.93Å; Q431-L448 PolarHBondContact NE2-O 3.25Å; Q431-L448 VanDerWaalsContact NE2-O 3.14Å; Q431-F452 HydrophobicContact CG-CD1 4.28Å; Q431-F452 HydrophobicContact CG-CE1 4.4Å; Q431-L453 HydrophobicContact CG-CD2 3.7Å |
| 432 | L | 82.8 | Confident | 82.9 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 175.9 | -68.6 | 175.7 | 0 | 0 | 0 | 112.3 | M428 E429 K434 L435 | M428-L432 HydrophobicContact CG-CD1 4.08Å; M428-L432 PolarHBondContact O-N 3.3Å; E429-L432 PolarHBondContact O-N 3.39Å; L432-K434 VanDerWaalsContact C-N 3.28Å; L432-K434 PolarHBondContact O-N 3.27Å; L432-L435 HydrophobicContact CD2-CD1 4.28Å; L432-L435 PolarHBondContact O-N 3.19Å; L432-L435 VanDerWaalsContact O-N 3.14Å |
| 433 | H | 85.1 | Confident | 82.8 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.7 | -34 | 175.9 | -168.2 | -73.3 | 0 | 0 | 0 | 112.3 | E429 L430 Q431 L435 R436 | E429-H433 VanDerWaalsContact O-CB 3.31Å; E429-H433 WeakPolarHBondContact O-CB 3.42Å; E429-H433 PolarHBondContact O-N 3.4Å; L430-H433 PolarHBondContact O-N 3Å; Q431-H433 VanDerWaalsContact C-N 3.32Å; Q431-H433 PolarHBondContact O-N 3.4Å; H433-L435 PolarHBondContact O-N 2.91Å; H433-R436 PolarHBondContact O-N 3.45Å |
| 434 | K | 82.7 | Confident | 82.8 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -24.5 | 175.4 | -67.3 | 173 | -175.3 | 171.7 | 0 | 113 | S400 L430 Q431 L432 | S400-K434 PolarHBondContact OG-NZ 2.99Å; S400-K434 VanDerWaalsContact OG-NZ 3.13Å; L430-K434 PolarHBondContact O-N 3Å; Q431-K434 WeakPolarHBondContact O-CB 3.39Å; Q431-K434 PolarHBondContact O-N 3.42Å; L432-K434 VanDerWaalsContact C-N 3.28Å; L432-K434 PolarHBondContact O-N 3.27Å |
| 435 | L | 80.1 | Confident | 82.7 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -91 | -19.9 | -173.8 | -61.5 | 168.2 | 0 | 0 | 0 | 114 | L432 H433 N437 V438 Y444 L447 L448 | L432-L435 HydrophobicContact CD2-CD1 4.28Å; L432-L435 PolarHBondContact O-N 3.19Å; L432-L435 VanDerWaalsContact O-N 3.14Å; H433-L435 PolarHBondContact O-N 2.91Å; L435-N437 PolarHBondContact O-N 3.46Å; L435-V438 PolarHBondContact O-N 3.48Å; L435-Y444 HydrophobicContact CB-CE2 4.32Å; L435-Y444 HydrophobicContact CD2-CD2 4.07Å; L435-Y444 HydrophobicContact CD2-CE2 3.73Å; L435-L447 HydrophobicContact CD2-CB 4.19Å; L435-L448 HydrophobicContact CD1-CD1 3.59Å; L435-L448 HydrophobicContact CD2-CB 4.1Å; L435-L448 HydrophobicContact CD2-CD1 4.32Å |
| 436 | R | 75.2 | Confident | 82.7 | Confident | 188 Ų | 188 | 58 Ų | 58 | 71% | 0.709 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.8 | -167.3 | -74.1 | -177.1 | 177 | 175.7 | -0.4 | 115.1 | H433 | H433-R436 PolarHBondContact O-N 3.45Š|
| 437 | N | 72.9 | Confident | 82.6 | Confident | 131 Ų | 131 | 58 Ų | 58 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -2 | -174.7 | -72.3 | -14.3 | 0 | 0 | 0 | 115 | K197 L435 | K197-N437 PolarHBondContact NZ-O 3.32Å; L435-N437 PolarHBondContact O-N 3.46Å |
| 438 | V | 75.6 | Confident | 82.5 | Confident | 43 Ų | 43 | 58 Ų | 58 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | trans | -103.5 | 128.8 | -170.9 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | L435 Y444 L447 | L435-V438 PolarHBondContact O-N 3.48Å; V438-Y444 HydrophobicContact CB-CD2 4.24Å; V438-Y444 HydrophobicContact CG1-CD2 4.2Å; V438-L447 HydrophobicContact CG1-CD1 4.39Å; V438-L447 HydrophobicContact CG2-CD1 3.86Å | ||
| 439 | S | 78.7 | Confident | 82.6 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | trans | -77.3 | 158.7 | 173.4 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | S441 Y444 | S439-S441 PolarHBondContact O-N 2.69Å; S439-S441 PolarHBondContact O-OG 2.91Å; S439-Y444 WeakPolarHBondContact O-CB 3.18Å | ||
| 440 | L | 81.8 | Confident | 82.6 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -58.9 | 111.7 | 178.3 | -158.8 | 78.9 | 0 | 0 | 0 | 110.7 | L228 A229 Q231 W233 Y444 Y445 | L228-L440 HydrophobicContact CD1-CD2 3.74Å; L228-L440 HydrophobicContact CD1-CG 4.38Å; L228-L440 HydrophobicContact CG-CD2 4.13Å; L228-L440 HydrophobicContact CG-CG 4.38Å; L228-L440 WeakPolarHBondContact O-CD2 3.44Å; A229-L440 WeakPolarHBondContact CA-O 3.15Å; Q231-L440 HydrophobicContact CG-CD2 4.07Å; W233-L440 HydrophobicContact CZ2-CD2 4Å; L440-Y444 HydrophobicContact CD1-CD1 3.56Å; L440-Y444 HydrophobicContact CD1-CE1 3.71Å; L440-Y444 HydrophobicContact CD1-CG 4.21Å; L440-Y445 HydrophobicContact CD1-CE2 4.09Å; L440-Y445 HydrophobicContact CG-CE2 4.19Å |
| 441 | S | 80.7 | Confident | 82.5 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -152.9 | 173.9 | -177.3 | 70.7 | 0 | 0 | 0 | 0 | 109.1 | S439 E443 Y444 Y445 | S439-S441 PolarHBondContact O-N 2.69Å; S439-S441 PolarHBondContact O-OG 2.91Å; S441-E443 PolarHBondContact O-N 2.92Å; S441-E443 PolarHBondContact OG-N 2.95Å; S441-Y444 VanDerWaalsContact O-CB 3.29Å; S441-Y444 WeakPolarHBondContact O-CB 3.32Å; S441-Y444 PolarHBondContact O-N 3.32Å; S441-Y444 PolarHBondContact OG-N 2.83Å; S441-Y445 VanDerWaalsContact O-CD2 3.28Å; S441-Y445 WeakPolarHBondContact O-CD2 3.5Å; S441-Y445 PolarHBondContact O-N 3.24Å |
| 442 | L | 82.9 | Confident | 82.5 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -39.1 | 173 | -63.2 | 169.7 | 0 | 0 | 0 | 111.4 | L259 L299 Y444 Y445 E446 | L259-L442 HydrophobicContact CD1-CD2 3.44Å; L259-L442 VanDerWaalsContact CD1-CD2 3.44Å; L299-L442 HydrophobicContact CD2-CB 4.44Å; L299-L442 HydrophobicContact CD2-CD2 3.7Å; L442-Y444 VanDerWaalsContact C-N 3.33Å; L442-Y444 PolarHBondContact O-N 3.43Å; L442-Y445 PolarHBondContact O-N 3.21Å; L442-E446 PolarHBondContact O-N 2.85Å |
| 443 | E | 82.9 | Confident | 82.7 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 58% | 0.584 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.7 | -36.1 | 175.9 | -173.4 | -179.8 | -173.2 | 0 | 0 | 112.4 | S441 Y445 E446 L447 | S441-E443 PolarHBondContact O-N 2.92Å; S441-E443 PolarHBondContact OG-N 2.95Å; E443-Y445 VanDerWaalsContact C-N 3.31Å; E443-Y445 PolarHBondContact O-N 3.46Å; E443-E446 PolarHBondContact O-N 3.34Å; E443-L447 HydrophobicContact CG-CD1 4.28Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.7Å |
| 444 | Y | 86.5 | Confident | 82.7 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 174.2 | -178.7 | -88.5 | 0 | 0 | 0 | 111.9 | L435 V438 S439 L440 S441 L442 L447 L448 | L435-Y444 HydrophobicContact CB-CE2 4.32Å; L435-Y444 HydrophobicContact CD2-CD2 4.07Å; L435-Y444 HydrophobicContact CD2-CE2 3.73Å; V438-Y444 HydrophobicContact CB-CD2 4.24Å; V438-Y444 HydrophobicContact CG1-CD2 4.2Å; S439-Y444 WeakPolarHBondContact O-CB 3.18Å; L440-Y444 HydrophobicContact CD1-CD1 3.56Å; L440-Y444 HydrophobicContact CD1-CE1 3.71Å; L440-Y444 HydrophobicContact CD1-CG 4.21Å; S441-Y444 VanDerWaalsContact O-CB 3.29Å; S441-Y444 WeakPolarHBondContact O-CB 3.32Å; S441-Y444 PolarHBondContact O-N 3.32Å; S441-Y444 PolarHBondContact OG-N 2.83Å; L442-Y444 VanDerWaalsContact C-N 3.33Å; L442-Y444 PolarHBondContact O-N 3.43Å; Y444-L447 PolarHBondContact O-N 2.61Å; Y444-L448 HydrophobicContact CD1-CB 4.47Å; Y444-L448 HydrophobicContact CE1-CB 4.31Å; Y444-L448 HydrophobicContact CE1-CD1 4.41Å; Y444-L448 HydrophobicContact CE1-CD2 4.07Å; Y444-L448 WeakPolarHBondContact O-CB 3.47Å; Y444-L448 PolarHBondContact O-N 3.04Å |
| 445 | Y | 86 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71 | -34.5 | 178.5 | -72.7 | -80 | 0 | 0 | 0 | 112.9 | W233 L259 C263 I303 L440 S441 L442 E443 L447 L448 N449 S505 A506 | W233-Y445 HydrophobicContact CH2-CE2 4.41Å; W233-Y445 WeakPolarHBondContact CH2-OH 3.5Å; W233-Y445 WeakPolarHBondContact CZ2-OH 3.43Å; L259-Y445 HydrophobicContact CD1-CD2 3.62Å; L259-Y445 HydrophobicContact CD1-CE2 3.9Å; L259-Y445 HydrophobicContact CD1-CG 4.24Å; L259-Y445 HydrophobicContact CD2-CD2 4.48Å; L259-Y445 HydrophobicContact CD2-CE2 3.95Å; L259-Y445 HydrophobicContact CG-CD2 4.44Å; L259-Y445 HydrophobicContact CG-CE2 4.38Å; C263-Y445 HydrophobicContact CB-CE1 4.31Å; I303-Y445 HydrophobicContact CG2-CD1 4.32Å; L440-Y445 HydrophobicContact CD1-CE2 4.09Å; L440-Y445 HydrophobicContact CG-CE2 4.19Å; S441-Y445 VanDerWaalsContact O-CD2 3.28Å; S441-Y445 WeakPolarHBondContact O-CD2 3.5Å; S441-Y445 PolarHBondContact O-N 3.24Å; L442-Y445 PolarHBondContact O-N 3.21Å; E443-Y445 VanDerWaalsContact C-N 3.31Å; E443-Y445 PolarHBondContact O-N 3.46Å; Y445-L447 VanDerWaalsContact C-N 3.34Å; Y445-L448 HydrophobicContact CD1-CD2 4.34Å; Y445-N449 PolarHBondContact O-N 3Å; Y445-S505 PolarHBondContact OH-O 2.86Å; Y445-A506 HydrophobicContact CE1-CB 4.43Å |
| 446 | E | 85.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 39.3 Ų | 39.3 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 170.6 | -67.4 | -165.1 | -163.9 | 0 | 0 | 111.9 | K298 L299 L442 E443 | K298-E446 IonicContact NZ-OE2 3.66Å; K298-E446 PolarHBondContact NZ-OE2 3.42Å; L299-E446 HydrophobicContact CB-CG 4.44Å; L299-E446 HydrophobicContact CD1-CG 3.83Å; L442-E446 PolarHBondContact O-N 2.85Å; E443-E446 PolarHBondContact O-N 3.34Å |
| 447 | L | 85.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 30.4 Ų | 30.4 | 29% | 0.288 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -75 | -37.2 | 179.4 | -70.4 | 175.7 | 0 | 0 | 0 | 113.1 | Q431 L435 V438 E443 Y444 Y445 N449 | Q431-L447 PolarHBondContact NE2-O 2.93Å; L435-L447 HydrophobicContact CD2-CB 4.19Å; V438-L447 HydrophobicContact CG1-CD1 4.39Å; V438-L447 HydrophobicContact CG2-CD1 3.86Å; E443-L447 HydrophobicContact CG-CD1 4.28Å; E443-L447 WeakPolarHBondContact O-CG 3.48Å; E443-L447 PolarHBondContact O-N 2.7Å; Y444-L447 PolarHBondContact O-N 2.61Å; Y445-L447 VanDerWaalsContact C-N 3.34Å; L447-N449 VanDerWaalsContact C-N 3.32Å |
| 448 | L | 84.7 | Confident | 84 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 177.6 | -179.7 | 70.2 | 0 | 0 | 0 | 110.1 | Q431 L435 Y444 Y445 P450 L453 L502 S505 | Q431-L448 PolarHBondContact NE2-O 3.25Å; Q431-L448 VanDerWaalsContact NE2-O 3.14Å; L435-L448 HydrophobicContact CD1-CD1 3.59Å; L435-L448 HydrophobicContact CD2-CB 4.1Å; L435-L448 HydrophobicContact CD2-CD1 4.32Å; Y444-L448 HydrophobicContact CD1-CB 4.47Å; Y444-L448 HydrophobicContact CE1-CB 4.31Å; Y444-L448 HydrophobicContact CE1-CD1 4.41Å; Y444-L448 HydrophobicContact CE1-CD2 4.07Å; Y444-L448 WeakPolarHBondContact O-CB 3.47Å; Y444-L448 PolarHBondContact O-N 3.04Å; Y445-L448 HydrophobicContact CD1-CD2 4.34Å; L448-P450 HydrophobicContact CD2-CG 4.11Å; L448-P450 HydrophobicContact CG-CG 4.46Å; L448-L453 HydrophobicContact CD1-CD1 3.66Å; L448-L453 HydrophobicContact CG-CD1 4.05Å; L448-L502 HydrophobicContact CD2-CD1 3.99Å; L448-S505 WeakPolarHBondContact CD2-OG 3.19Å |
| 449 | N | 87.2 | Confident | 84.3 | Confident | 23 Ų | 23 | 24.7 Ų | 24.7 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | trans | 48.6 | 75.3 | -176.1 | -170.4 | -15.3 | 0 | 0 | 0 | 111.8 | Y445 L447 D451 F452 L453 | Y445-N449 PolarHBondContact O-N 3Å; L447-N449 VanDerWaalsContact C-N 3.32Å; N449-D451 PolarHBondContact O-N 3.44Å; N449-F452 HydrophobicContact CB-CB 4.07Å; N449-F452 WeakPolarHBondContact ND2-CB 3.47Å; N449-F452 PolarHBondContact O-N 3.32Å; N449-F452 VanDerWaalsContact O-N 3.12Å; N449-F452 WeakPolarHBondContact OD1-CB 3.29Å; N449-F452 PolarHBondContact OD1-N 3.22Å; N449-L453 PolarHBondContact O-N 3.28Å; N449-L453 VanDerWaalsContact O-N 3.11Å | ||
| 450 | P | 85.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -51.3 | -41.2 | 179.9 | -29.5 | 37.1 | 0 | 0 | 0 | 113.6 | I303 L448 L453 L454 L502 F509 | I303-P450 HydrophobicContact CG2-CG 4.36Å; L448-P450 HydrophobicContact CD2-CG 4.11Å; L448-P450 HydrophobicContact CG-CG 4.46Å; P450-L453 PolarHBondContact O-N 2.99Å; P450-L454 WeakPolarHBondContact O-CG 3.45Å; P450-L454 PolarHBondContact O-N 3.07Å; P450-L502 HydrophobicContact CB-CD1 3.88Å; P450-L502 HydrophobicContact CG-CD1 4.12Å; P450-F509 HydrophobicContact CB-CE1 4.1Å; P450-F509 HydrophobicContact CB-CE2 4.26Å; P450-F509 HydrophobicContact CB-CZ 3.86Å |
| 451 | D | 84.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 177.7 | -172.6 | 76.5 | 0 | 0 | 0 | 111.7 | R306 N449 L453 L454 Q455 Y625 | R306-D451 IonicContact CZ-OD1 3.44Å; R306-D451 IonicContact CZ-OD2 2.8Å; R306-D451 IonicContact NE-OD1 2.89Å; R306-D451 PolarHBondContact NE-OD1 3.36Å; R306-D451 IonicContact NE-OD2 2.76Å; R306-D451 IonicContact NH2-OD1 3.03Å; R306-D451 PolarHBondContact NH2-OD1 2.93Å; R306-D451 IonicContact NH2-OD2 2.88Å; R306-D451 PolarHBondContact NH2-OD2 2.86Å; N449-D451 PolarHBondContact O-N 3.44Å; D451-L453 VanDerWaalsContact C-N 3.35Å; D451-L453 PolarHBondContact O-N 3.4Å; D451-L454 WeakPolarHBondContact O-CB 3.3Å; D451-L454 PolarHBondContact O-N 3.26Å; D451-Q455 WeakPolarHBondContact O-CG 3.47Å; D451-Q455 PolarHBondContact O-N 2.86Å; D451-Q455 PolarHBondContact OD2-NE2 3.41Å; D451-Y625 PolarHBondContact O-OH 2.89Å; D451-Y625 VanDerWaalsContact O-OH 3.09Å; D451-Y625 WeakPolarHBondContact OD1-CE2 3.45Å; D451-Y625 PolarHBondContact OD1-OH 3.32Å; D451-Y625 PolarHBondContact OD2-OH 3.43Å |
| 452 | F | 87.3 | Confident | 83.9 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 4% | 0.044 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | -179.9 | -178.9 | -115.6 | 0 | 0 | 0 | 112.7 | E401 Y404 Q431 N449 L454 Q455 I456 | E401-F452 HydrophobicContact CB-CZ 4.49Å; E401-F452 HydrophobicContact CG-CE2 4.11Å; E401-F452 HydrophobicContact CG-CZ 4.11Å; Y404-F452 AromaticContact CD1-CE2 3.81Å; Y404-F452 HydrophobicContact CD1-CE2 3.81Å; Y404-F452 HydrophobicContact CD2-CE2 4.46Å; Y404-F452 HydrophobicContact CE1-CE2 4.47Å; Y404-F452 AromaticContact CG-CE2 3.8Å; Y404-F452 HydrophobicContact CG-CE2 3.8Å; Y404-F452 HydrophobicContact CG-CZ 4.2Å; Q431-F452 HydrophobicContact CG-CD1 4.28Å; Q431-F452 HydrophobicContact CG-CE1 4.4Å; N449-F452 HydrophobicContact CB-CB 4.07Å; N449-F452 WeakPolarHBondContact ND2-CB 3.47Å; N449-F452 PolarHBondContact O-N 3.32Å; N449-F452 VanDerWaalsContact O-N 3.12Å; N449-F452 WeakPolarHBondContact OD1-CB 3.29Å; N449-F452 PolarHBondContact OD1-N 3.22Å; F452-L454 VanDerWaalsContact C-N 3.34Å; F452-L454 PolarHBondContact O-N 3.23Å; F452-Q455 WeakPolarHBondContact O-CB 3.28Å; F452-Q455 PolarHBondContact O-N 3.46Å; F452-I456 HydrophobicContact CD1-CD1 3.97Å; F452-I456 HydrophobicContact CE1-CD1 3.5Å; F452-I456 VanDerWaalsContact CE1-CD1 3.5Å; F452-I456 HydrophobicContact CE1-CG1 4.3Å; F452-I456 HydrophobicContact CE2-CG1 4.48Å; F452-I456 HydrophobicContact CZ-CD1 3.8Å; F452-I456 HydrophobicContact CZ-CG1 4.19Å; F452-I456 PolarHBondContact O-N 3.23Å |
| 453 | L | 86.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 174.3 | -67 | -177.9 | 0 | 0 | 0 | 111.9 | Q431 L448 N449 P450 D451 Q455 I456 I457 I498 | Q431-L453 HydrophobicContact CG-CD2 3.7Å; L448-L453 HydrophobicContact CD1-CD1 3.66Å; L448-L453 HydrophobicContact CG-CD1 4.05Å; N449-L453 PolarHBondContact O-N 3.28Å; N449-L453 VanDerWaalsContact O-N 3.11Å; P450-L453 PolarHBondContact O-N 2.99Å; D451-L453 VanDerWaalsContact C-N 3.35Å; D451-L453 PolarHBondContact O-N 3.4Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 3.33Å; L453-I456 PolarHBondContact O-N 2.93Å; L453-I457 WeakPolarHBondContact O-CD1 3.19Å; L453-I457 VanDerWaalsContact O-CG1 3.28Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.07Å; L453-I498 HydrophobicContact CB-CG2 3.82Å; L453-I498 HydrophobicContact CD1-CG2 4.07Å; L453-I498 HydrophobicContact CD2-CG2 3.81Å; L453-I498 HydrophobicContact CG-CG2 4.11Å |
| 454 | L | 85 | Confident | 82.5 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 173.8 | -69.3 | -178.6 | 0 | 0 | 0 | 112.1 | P450 D451 F452 I457 S458 L502 F509 M511 L515 Y625 | P450-L454 WeakPolarHBondContact O-CG 3.45Å; P450-L454 PolarHBondContact O-N 3.07Å; D451-L454 WeakPolarHBondContact O-CB 3.3Å; D451-L454 PolarHBondContact O-N 3.26Å; F452-L454 VanDerWaalsContact C-N 3.34Å; F452-L454 PolarHBondContact O-N 3.23Å; L454-I457 PolarHBondContact O-N 2.93Å; L454-S458 WeakPolarHBondContact O-CB 3.32Å; L454-S458 PolarHBondContact O-N 3.48Å; L454-L502 HydrophobicContact CD2-CD2 4.33Å; L454-F509 HydrophobicContact CD1-CE1 3.51Å; L454-F509 HydrophobicContact CD1-CZ 3.58Å; L454-F509 HydrophobicContact CD2-CE1 4.15Å; L454-F509 HydrophobicContact CG-CE1 3.93Å; L454-F509 HydrophobicContact CG-CZ 4.36Å; L454-M511 HydrophobicContact CD1-CB 4.05Å; L454-M511 HydrophobicContact CD1-CG 3.87Å; L454-M511 HydrophobicContact CD2-CG 4.11Å; L454-L515 HydrophobicContact CD2-CD1 3.48Å; L454-L515 VanDerWaalsContact CD2-CD1 3.48Å; L454-Y625 HydrophobicContact CB-CD1 4.28Å; L454-Y625 HydrophobicContact CB-CE1 3.79Å; L454-Y625 HydrophobicContact CD1-CD1 4.46Å; L454-Y625 HydrophobicContact CD1-CD2 4.08Å; L454-Y625 HydrophobicContact CD1-CE1 4.45Å; L454-Y625 HydrophobicContact CD1-CE2 4.04Å; L454-Y625 HydrophobicContact CD1-CG 4.29Å |
| 455 | Q | 84.5 | Confident | 81.4 | Confident | 19 Ų | 19 | 22 Ų | 22 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 174.1 | -66.2 | -179.1 | 36 | 0 | 0 | 111.5 | Y404 D451 F452 L453 I457 S458 E459 Y625 | Y404-Q455 HydrophobicContact CE2-CB 4.16Å; D451-Q455 WeakPolarHBondContact O-CG 3.47Å; D451-Q455 PolarHBondContact O-N 2.86Å; D451-Q455 PolarHBondContact OD2-NE2 3.41Å; F452-Q455 WeakPolarHBondContact O-CB 3.28Å; F452-Q455 PolarHBondContact O-N 3.46Å; L453-Q455 VanDerWaalsContact C-N 3.32Å; L453-Q455 PolarHBondContact O-N 3.33Å; Q455-I457 VanDerWaalsContact C-N 3.32Å; Q455-I457 PolarHBondContact O-N 3.18Å; Q455-S458 PolarHBondContact O-N 2.63Å; Q455-S458 PolarHBondContact O-OG 3.46Å; Q455-E459 PolarHBondContact O-N 3.22Å; Q455-E459 VanDerWaalsContact O-N 3.08Å; Q455-Y625 HydrophobicContact CG-CE1 4.4Å; Q455-Y625 VanDerWaalsContact CG-OH 3.26Å; Q455-Y625 WeakPolarHBondContact CG-OH 3.41Å |
| 456 | I | 86.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 175.8 | -70.2 | 172.1 | 0 | 0 | 0 | 111 | Y404 L424 A427 F452 L453 S458 E459 Y460 I498 | Y404-I456 HydrophobicContact CD2-CG1 3.9Å; Y404-I456 HydrophobicContact CE2-CG1 4.42Å; L424-I456 HydrophobicContact CD1-CG2 4.06Å; A427-I456 HydrophobicContact CB-CD1 4.46Å; F452-I456 HydrophobicContact CD1-CD1 3.97Å; F452-I456 HydrophobicContact CE1-CD1 3.5Å; F452-I456 VanDerWaalsContact CE1-CD1 3.5Å; F452-I456 HydrophobicContact CE1-CG1 4.3Å; F452-I456 HydrophobicContact CE2-CG1 4.48Å; F452-I456 HydrophobicContact CZ-CD1 3.8Å; F452-I456 HydrophobicContact CZ-CG1 4.19Å; F452-I456 PolarHBondContact O-N 3.23Å; L453-I456 PolarHBondContact O-N 2.93Å; I456-S458 VanDerWaalsContact C-N 3.33Å; I456-S458 PolarHBondContact O-N 3.33Å; I456-E459 PolarHBondContact O-N 2.95Å; I456-Y460 HydrophobicContact CG2-CD2 3.64Å; I456-Y460 HydrophobicContact CG2-CE2 3.38Å; I456-Y460 VanDerWaalsContact O-CD2 3.28Å; I456-Y460 WeakPolarHBondContact O-CD2 3.3Å; I456-Y460 PolarHBondContact O-N 2.97Å; I456-I498 HydrophobicContact CG2-CD1 3.66Å |
| 457 | I | 85 | Confident | 78.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 179.1 | -66 | 156.3 | 0 | 0 | 0 | 110.9 | L453 L454 Q455 E459 Y460 L461 C495 I498 L499 L515 | L453-I457 WeakPolarHBondContact O-CD1 3.19Å; L453-I457 VanDerWaalsContact O-CG1 3.28Å; L453-I457 WeakPolarHBondContact O-CG1 3.35Å; L453-I457 PolarHBondContact O-N 3.07Å; L454-I457 PolarHBondContact O-N 2.93Å; Q455-I457 VanDerWaalsContact C-N 3.32Å; Q455-I457 PolarHBondContact O-N 3.18Å; I457-E459 VanDerWaalsContact C-N 3.29Å; I457-E459 PolarHBondContact O-N 3.18Å; I457-Y460 PolarHBondContact O-N 3.24Å; I457-L461 HydrophobicContact CG2-CD1 3.89Å; I457-L461 HydrophobicContact CG2-CG 4.12Å; I457-L461 WeakPolarHBondContact O-CB 3.22Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.35Å; I457-C495 HydrophobicContact CG2-CB 4.45Å; I457-I498 HydrophobicContact CD1-CB 4.24Å; I457-I498 HydrophobicContact CD1-CG2 3.78Å; I457-I498 HydrophobicContact CG1-CB 4.31Å; I457-I498 HydrophobicContact CG1-CD1 4.15Å; I457-I498 HydrophobicContact CG1-CG2 4.15Å; I457-L499 HydrophobicContact CD1-CD1 4.36Å; I457-L499 HydrophobicContact CD1-CD2 3.47Å; I457-L499 VanDerWaalsContact CD1-CD2 3.47Å; I457-L499 HydrophobicContact CD1-CG 3.6Å; I457-L499 HydrophobicContact CG1-CG 4.42Å; I457-L499 HydrophobicContact CG2-CD1 4.48Å; I457-L515 HydrophobicContact CB-CD1 4.46Å; I457-L515 HydrophobicContact CG2-CD1 3.89Å |
| 458 | S | 81.8 | Confident | 77.8 | Confident | 45 Ų | 45 | 22.7 Ų | 22.7 | 32% | 0.315 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 177.2 | 76.1 | 0 | 0 | 0 | 0 | 112 | L454 Q455 I456 L461 I462 | L454-S458 WeakPolarHBondContact O-CB 3.32Å; L454-S458 PolarHBondContact O-N 3.48Å; Q455-S458 PolarHBondContact O-N 2.63Å; Q455-S458 PolarHBondContact O-OG 3.46Å; I456-S458 VanDerWaalsContact C-N 3.33Å; I456-S458 PolarHBondContact O-N 3.33Å; S458-L461 PolarHBondContact O-N 3.49Å; S458-I462 WeakPolarHBondContact O-CG1 3.33Å; S458-I462 PolarHBondContact O-N 2.9Å |
| 459 | E | 82.1 | Confident | 76.1 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 174.8 | -68.8 | -61 | 152.1 | 0 | 0 | 112.4 | Y404 V408 R411 L424 Q455 I456 I457 H463 | Y404-E459 HydrophobicContact CD2-CG 4.45Å; Y404-E459 HydrophobicContact CE2-CB 4.38Å; Y404-E459 HydrophobicContact CE2-CG 3.51Å; V408-E459 HydrophobicContact CG2-CG 4.16Å; R411-E459 VanDerWaalsContact CD-OE2 3.3Å; R411-E459 WeakPolarHBondContact CD-OE2 3.36Å; R411-E459 VanDerWaalsContact CZ-CD 3.44Å; R411-E459 IonicContact CZ-OE1 2.88Å; R411-E459 IonicContact CZ-OE2 2.76Å; R411-E459 IonicContact NE-OE1 2.97Å; R411-E459 IonicContact NE-OE2 3.36Å; R411-E459 PolarHBondContact NE-OE2 2.9Å; R411-E459 IonicContact NH1-OE1 2.7Å; R411-E459 PolarHBondContact NH1-OE1 3.29Å; R411-E459 IonicContact NH1-OE2 3.31Å; R411-E459 PolarHBondContact NH1-OE2 3.19Å; R411-E459 IonicContact NH2-OE1 3.57Å; R411-E459 PolarHBondContact NH2-OE1 3.4Å; R411-E459 IonicContact NH2-OE2 3.41Å; L424-E459 HydrophobicContact CD1-CB 4.14Å; L424-E459 HydrophobicContact CD2-CB 4.09Å; Q455-E459 PolarHBondContact O-N 3.22Å; Q455-E459 VanDerWaalsContact O-N 3.08Å; I456-E459 PolarHBondContact O-N 2.95Å; I457-E459 VanDerWaalsContact C-N 3.29Å; I457-E459 PolarHBondContact O-N 3.18Å; E459-H463 PolarHBondContact O-CD2 3.2Å |
| 460 | Y | 81.8 | Confident | 74 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 172.4 | -82.6 | -60.5 | 0 | 0 | 0 | 112.2 | L421 L424 N425 M428 I456 I457 I462 H463 A464 V491 R494 C495 I498 | L421-Y460 HydrophobicContact CD2-CD1 3.87Å; L421-Y460 HydrophobicContact CD2-CE1 3.95Å; L424-Y460 HydrophobicContact CB-CE1 4.34Å; L424-Y460 HydrophobicContact CD2-CD1 3.37Å; L424-Y460 HydrophobicContact CD2-CD2 3.93Å; L424-Y460 HydrophobicContact CD2-CE1 3.48Å; L424-Y460 VanDerWaalsContact CD2-CE1 3.48Å; L424-Y460 HydrophobicContact CD2-CE2 4.02Å; L424-Y460 HydrophobicContact CD2-CG 3.61Å; L424-Y460 HydrophobicContact CG-CD1 4.14Å; L424-Y460 HydrophobicContact CG-CD2 4.2Å; L424-Y460 HydrophobicContact CG-CE1 3.76Å; L424-Y460 HydrophobicContact CG-CE2 3.82Å; L424-Y460 HydrophobicContact CG-CG 4.34Å; L424-Y460 PolarHBondContact O-OH 3.3Å; N425-Y460 VanDerWaalsContact CA-OH 3.28Å; N425-Y460 WeakPolarHBondContact CA-OH 3.38Å; N425-Y460 PolarHBondContact N-OH 3.05Å; N425-Y460 PolarHBondContact OD1-OH 3.2Å; M428-Y460 HydrophobicContact SD-CE2 4.23Å; I456-Y460 HydrophobicContact CG2-CD2 3.64Å; I456-Y460 HydrophobicContact CG2-CE2 3.38Å; I456-Y460 VanDerWaalsContact O-CD2 3.28Å; I456-Y460 WeakPolarHBondContact O-CD2 3.3Å; I456-Y460 PolarHBondContact O-N 2.97Å; I457-Y460 PolarHBondContact O-N 3.24Å; Y460-I462 VanDerWaalsContact C-N 3.26Å; Y460-I462 PolarHBondContact O-N 3.49Å; Y460-H463 CarbonylContact O-C 3.35Å; Y460-H463 WeakPolarHBondContact O-CA 3.33Å; Y460-H463 PolarHBondContact O-N 3.08Å; Y460-A464 PolarHBondContact O-N 2.89Å; Y460-V491 HydrophobicContact CD1-CG1 3.76Å; Y460-V491 HydrophobicContact CG-CG1 4.18Å; Y460-V491 WeakPolarHBondContact O-CG1 3.44Å; Y460-R494 HydrophobicContact CE1-CB 4.46Å; Y460-C495 WeakPolarHBondContact CB-SG 2.91Å; Y460-I498 HydrophobicContact CD2-CD1 4.41Å; Y460-I498 HydrophobicContact CE2-CD1 4.06Å |
| 461 | L | 76.5 | Confident | 71.5 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -25.9 | -176.2 | -74.4 | 177.3 | 0 | 0 | 0 | 113.3 | I457 S458 H463 A464 L492 L515 Y518 V519 | I457-L461 HydrophobicContact CG2-CD1 3.89Å; I457-L461 HydrophobicContact CG2-CG 4.12Å; I457-L461 WeakPolarHBondContact O-CB 3.22Å; I457-L461 WeakPolarHBondContact O-CG 3.23Å; I457-L461 PolarHBondContact O-N 3.35Å; S458-L461 PolarHBondContact O-N 3.49Å; L461-H463 PolarHBondContact O-N 3.33Å; L461-A464 HydrophobicContact CD2-CB 4.23Å; L461-A464 VanDerWaalsContact O-CB 3.29Å; L461-A464 WeakPolarHBondContact O-CB 3.47Å; L461-A464 PolarHBondContact O-N 3.18Å; L461-A464 VanDerWaalsContact O-N 3.09Å; L461-L492 HydrophobicContact CD2-CD2 4.34Å; L461-L515 HydrophobicContact CD1-CD2 3.78Å; L461-Y518 HydrophobicContact CD1-CD1 4.37Å; L461-Y518 HydrophobicContact CD1-CE1 4.48Å; L461-Y518 HydrophobicContact CD2-CD1 4.17Å; L461-Y518 HydrophobicContact CD2-CE1 4.04Å; L461-V519 HydrophobicContact CD2-CG2 4.11Å |
| 462 | I | 74.2 | Confident | 68.8 | Low | 81 Ų | 81 | 34 Ų | 34 | 42% | 0.415 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -29.7 | 172 | -67.5 | 166.5 | 0 | 0 | 0 | 111.5 | S458 Y460 | S458-I462 WeakPolarHBondContact O-CG1 3.33Å; S458-I462 PolarHBondContact O-N 2.9Å; Y460-I462 VanDerWaalsContact C-N 3.26Å; Y460-I462 PolarHBondContact O-N 3.49Å |
| 463 | H | 70.7 | Confident | 66 | Low | 53 Ų | 53 | 37 Ų | 37 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 0.2 | 176.8 | -62 | -64.5 | 0 | 0 | 0 | 113.3 | I420 E459 Y460 L461 | I420-H463 WeakPolarHBondContact CG2-NE2 3.5Å; E459-H463 PolarHBondContact O-CD2 3.2Å; Y460-H463 CarbonylContact O-C 3.35Å; Y460-H463 WeakPolarHBondContact O-CA 3.33Å; Y460-H463 PolarHBondContact O-N 3.08Å; L461-H463 PolarHBondContact O-N 3.33Å |
| 464 | A | 66.3 | Low | 63.3 | Low | 14 Ų | 14 | 42.5 Ų | 42.5 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -75.6 | 154.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y460 L461 L492 | Y460-A464 PolarHBondContact O-N 2.89Å; L461-A464 HydrophobicContact CD2-CB 4.23Å; L461-A464 VanDerWaalsContact O-CB 3.29Å; L461-A464 WeakPolarHBondContact O-CB 3.47Å; L461-A464 PolarHBondContact O-N 3.18Å; L461-A464 VanDerWaalsContact O-N 3.09Å; A464-L492 HydrophobicContact CB-CD2 3.9Å |
| 465 | P | 63.4 | Low | 60.7 | Low | 55 Ų | 55 | 47.2 Ų | 47.2 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | trans | -61.8 | 134.3 | 173.7 | 25.5 | -33.5 | 0 | 0 | 0 | 110.3 | Q467 L492 | P465-Q467 PolarHBondContact O-N 3.49Å; P465-L492 HydrophobicContact CG-CD1 4.37Å | ||
| 466 | P | 57.5 | Low | 58.1 | Low | 40 Ų | 40 | 53.7 Ų | 53.7 | 26% | 0.26 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.5 | -12.3 | -173.9 | 27.5 | -35.3 | 0 | 0 | 0 | 114 | Q674 Y705 | P466-Q674 VanDerWaalsContact CG-NE2 3.32Å; P466-Y705 WeakPolarHBondContact CG-OH 3.41Å |
| 467 | Q | 61.5 | Low | 55.4 | Low | 78 Ų | 78 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -134.3 | 150.3 | 172.7 | -69.3 | -173.5 | 0 | 0 | 0 | 109.3 | P465 S469 | P465-Q467 PolarHBondContact O-N 3.49Å; Q467-S469 PolarHBondContact O-N 2.87Å |
| 468 | P | 61 | Low | 52.6 | Low | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -57 | 111.1 | 172.9 | 24.2 | -33.1 | 0 | 0 | 0 | 108 | N470 Y521 R524 Y556 | P468-N470 PolarHBondContact O-N 3.48Å; P468-Y521 HydrophobicContact CG-CE1 4.46Å; P468-Y521 HydrophobicContact CG-CE2 4.35Å; P468-R524 HydrophobicContact CB-CG 4.43Å; P468-Y556 HydrophobicContact CB-CE2 4.22Å; P468-Y556 HydrophobicContact CG-CD2 3.93Å; P468-Y556 HydrophobicContact CG-CE2 3.85Å |
| 469 | S | 49.7 | Very low | 50.1 | Low | 51 Ų | 51 | 72.9 Ų | 72.9 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | trans | -40.7 | 112.2 | -167.2 | 37.7 | 0 | 0 | 0 | 0 | 112 | Q467 I471 R524 | Q467-S469 PolarHBondContact O-N 2.87Å; S469-I471 PolarHBondContact O-N 3.5Å; S469-R524 PolarHBondContact O-NE 3.33Å; S469-R524 PolarHBondContact O-NH2 2.87Å | ||
| 470 | N | 42.4 | Very low | 47.4 | Very low | 97 Ų | 97 | 78.9 Ų | 78.9 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -70.7 | 9.8 | -175.3 | -109.5 | -7.5 | 0 | 0 | 0 | 114.7 | P468 G472 S473 | P468-N470 PolarHBondContact O-N 3.48Å; N470-G472 PolarHBondContact O-N 3.42Å; N470-S473 PolarHBondContact O-N 3.42Å; N470-S473 PolarHBondContact O-OG 3.44Å |
| 471 | I | 33.1 | Very low | 44.9 | Very low | 116 Ų | 116 | 86 Ų | 86 | 60% | 0.595 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -58.5 | -7 | -177.2 | -58.2 | 168.9 | 0 | 0 | 0 | 112.4 | S469 | S469-I471 PolarHBondContact O-N 3.5Š|
| 472 | G | 29 | Very low | 42.6 | Very low | 10 Ų | 10 | 88.6 Ų | 88.6 | 10% | 0.103 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -111.1 | -4.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | N470 T474 F475 R476 | N470-G472 PolarHBondContact O-N 3.42Å; G472-T474 PolarHBondContact O-N 2.91Å; G472-F475 CarbonylContact O-C 3.58Å; G472-F475 WeakPolarHBondContact O-CA 3.19Å; G472-F475 PolarHBondContact O-N 3.31Å; G472-R476 PolarHBondContact O-N 3.04Å; G472-R476 VanDerWaalsContact O-N 3.12Å |
| 473 | S | 28.3 | Very low | 40.4 | Very low | 71 Ų | 71 | 93.5 Ų | 93.5 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.8 | -170.6 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | N470 | N470-S473 PolarHBondContact O-N 3.42Å; N470-S473 PolarHBondContact O-OG 3.44Å |
| 474 | T | 28.6 | Very low | 38.5 | Very low | 120 Ų | 120 | 97.7 Ų | 97.7 | 74% | 0.736 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.4 | 166.4 | 38.7 | 0 | 0 | 0 | 0 | 113.7 | G472 | G472-T474 PolarHBondContact O-N 2.91Š|
| 475 | F | 30.4 | Very low | 36.7 | Very low | 100 Ų | 100 | 102.8 Ų | 102.8 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -9.5 | 179.8 | -103.7 | -85.3 | 0 | 0 | 0 | 114.4 | G472 I477 E749 | G472-F475 CarbonylContact O-C 3.58Å; G472-F475 WeakPolarHBondContact O-CA 3.19Å; G472-F475 PolarHBondContact O-N 3.31Å; F475-I477 VanDerWaalsContact C-N 3.29Å; F475-I477 PolarHBondContact O-N 3.36Å; F475-E749 WeakPolarHBondContact CE2-OE2 3.28Å; F475-E749 VanDerWaalsContact CZ-OE1 3.26Å; F475-E749 WeakPolarHBondContact CZ-OE1 3.28Å; F475-E749 WeakPolarHBondContact CZ-OE2 3.41Å |
| 476 | R | 30.2 | Very low | 35.1 | Very low | 155 Ų | 155 | 106.3 Ų | 106.3 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 4.5 | -178.5 | -83.5 | -175.9 | 179.4 | 172.7 | 4.3 | 115.5 | G472 Y556 | G472-R476 PolarHBondContact O-N 3.04Å; G472-R476 VanDerWaalsContact O-N 3.12Å; R476-Y556 PolarHBondContact NH2-OH 3.44Å |
| 477 | I | 30.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 109.9 Ų | 109.9 | 67% | 0.672 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -14 | 176.5 | -55.2 | -178.9 | 0 | 0 | 0 | 111.8 | F475 | F475-I477 VanDerWaalsContact C-N 3.29Å; F475-I477 PolarHBondContact O-N 3.36Å |
| 478 | F | 26.9 | Very low | 33.2 | Very low | 168 Ų | 168 | 114.1 Ų | 114.1 | 74% | 0.737 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -144.2 | 113.1 | 178.7 | -68.9 | -81.9 | 0 | 0 | 0 | 112.7 | ||
| 479 | N | 27.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | trans | 92.7 | 106.6 | 162 | -61.4 | -6.3 | 0 | 0 | 0 | 119.3 | ||||
| 480 | D | 26.6 | Very low | 33.5 | Very low | 136 Ų | 136 | 118.5 Ų | 118.5 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -43.4 | 128.5 | 135.9 | -72.2 | -48.2 | 0 | 0 | 0 | 110.5 | ||||
| 481 | M | 29.2 | Very low | 35.1 | Very low | 149 Ų | 149 | 114.9 Ų | 114.9 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | trans | -179.6 | 139.2 | 147 | -92.3 | -97.8 | -149.6 | 0 | 0 | 110.2 | ||||
| 482 | A | 27.1 | Very low | 37.3 | Very low | 79 Ų | 79 | 109.9 Ų | 109.9 | 65% | 0.653 | 56% | 0.562 | S | S | * | * | trans | -64.8 | 164.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 483 | Y | 29.4 | Very low | 39.7 | Very low | 184 Ų | 184 | 113.8 Ų | 113.8 | 72% | 0.722 | 58% | 0.579 | S | S | * | * | trans | 77.4 | 78.4 | 169.1 | -60 | -85.3 | 0 | 0 | 0 | 117.2 | N485 R776 | Y483-N485 VanDerWaalsContact C-N 3.33Å; Y483-R776 PolarHBondContact O-NH2 3.03Å | ||
| 484 | I | 31.1 | Very low | 42.2 | Very low | 141 Ų | 141 | 112.4 Ų | 112.4 | 72% | 0.723 | 56% | 0.563 | S | S | * | * | trans | -92.8 | 74.9 | 146.5 | -54.3 | 172.6 | 0 | 0 | 0 | 106.4 | ||||
| 485 | N | 28.5 | Very low | 44.9 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 65% | 0.647 | 53% | 0.528 | S | S | * | . | trans | -105.2 | 9.3 | 170.2 | -92 | 7.4 | 0 | 0 | 0 | 112.8 | Y483 | Y483-N485 VanDerWaalsContact C-N 3.33Š| ||
| 486 | D | 29.8 | Very low | 47.5 | Very low | 129 Ų | 129 | 102.2 Ų | 102.2 | 69% | 0.69 | 51% | 0.508 | S | S | * | . | trans | -108.8 | 73.5 | 174.1 | -82.7 | -23.2 | 0 | 0 | 0 | 111 | ||||
| 487 | Q | 40.2 | Very low | 50.1 | Low | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | trans | -145.3 | 66.7 | 155.1 | -73.7 | -165.7 | -17.5 | 0 | 0 | 108.2 | D489 | Q487-D489 PolarHBondContact O-N 3.46Š| ||
| 488 | H | 37.3 | Very low | 52.7 | Low | 167 Ų | 167 | 90.8 Ų | 90.8 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 1.3 | -176.1 | -94.3 | -64 | 0 | 0 | 0 | 115.5 | ||
| 489 | D | 51.7 | Low | 55.5 | Low | 124 Ų | 124 | 82.8 Ų | 82.8 | 66% | 0.663 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | 39.3 | -174.7 | -120.3 | -2.6 | 0 | 0 | 0 | 114.2 | Q487 R494 | Q487-D489 PolarHBondContact O-N 3.46Å; D489-R494 VanDerWaalsContact CG-NH2 3.25Å; D489-R494 IonicContact OD1-CZ 2.88Å; D489-R494 IonicContact OD1-NE 3.19Å; D489-R494 PolarHBondContact OD1-NE 3.3Å; D489-R494 IonicContact OD1-NH2 2.82Å; D489-R494 PolarHBondContact OD1-NH2 3.47Å; D489-R494 IonicContact OD2-NH2 3.93Å; D489-R494 PolarHBondContact OD2-NH2 3.33Å |
| 490 | S | 65.3 | Low | 58.2 | Low | 26 Ų | 26 | 80.4 Ų | 80.4 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | trans | -85.5 | 141.4 | 166.1 | 72 | 0 | 0 | 0 | 0 | 110.8 | L492 M493 R494 | S490-L492 PolarHBondContact O-N 3.26Å; S490-L492 VanDerWaalsContact O-N 3.11Å; S490-M493 PolarHBondContact O-N 3.46Å; S490-M493 WeakPolarHBondContact OG-CG 3.14Å; S490-M493 PolarHBondContact OG-N 3.12Å; S490-R494 PolarHBondContact O-N 3.24Å | ||
| 491 | V | 76 | Confident | 61 | Low | 21 Ų | 21 | 76 Ų | 76 | 13% | 0.127 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -49.9 | -36.2 | 173.3 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L421 Y460 R494 C495 | L421-V491 HydrophobicContact CD1-CG2 4.04Å; L421-V491 HydrophobicContact CD2-CG2 3.93Å; Y460-V491 HydrophobicContact CD1-CG1 3.76Å; Y460-V491 HydrophobicContact CG-CG1 4.18Å; Y460-V491 WeakPolarHBondContact O-CG1 3.44Å; V491-R494 PolarHBondContact O-N 2.82Å; V491-C495 PolarHBondContact O-N 3.07Å; V491-C495 VanDerWaalsContact O-N 3.07Å; V491-C495 PolarHBondContact O-SG 3.24Å; V491-C495 VanDerWaalsContact O-SG 3.35Å |
| 492 | L | 79 | Confident | 63.7 | Low | 12 Ų | 12 | 68.9 Ų | 68.9 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.5 | -65.7 | 172.3 | 0 | 0 | 0 | 113.2 | L461 A464 P465 S490 R494 C495 L496 V519 M522 L523 | L461-L492 HydrophobicContact CD2-CD2 4.34Å; A464-L492 HydrophobicContact CB-CD2 3.9Å; P465-L492 HydrophobicContact CG-CD1 4.37Å; S490-L492 PolarHBondContact O-N 3.26Å; S490-L492 VanDerWaalsContact O-N 3.11Å; L492-R494 VanDerWaalsContact C-N 3.31Å; L492-R494 PolarHBondContact O-N 3.19Å; L492-C495 WeakPolarHBondContact O-CB 3.4Å; L492-C495 PolarHBondContact O-N 2.95Å; L492-L496 PolarHBondContact O-N 3.38Å; L492-L496 VanDerWaalsContact O-N 3.1Å; L492-V519 HydrophobicContact CB-CG1 4.14Å; L492-V519 HydrophobicContact CD2-CG1 4.23Å; L492-V519 VanDerWaalsContact O-CG1 3.28Å; L492-V519 WeakPolarHBondContact O-CG1 3.25Å; L492-M522 HydrophobicContact CD1-CB 3.66Å; L492-M522 HydrophobicContact CD2-CB 3.85Å; L492-M522 HydrophobicContact CD2-CG 4.37Å; L492-M522 HydrophobicContact CG-CB 4.43Å; L492-L523 HydrophobicContact CB-CD1 4.28Å; L492-L523 HydrophobicContact CB-CD2 3.74Å; L492-L523 HydrophobicContact CB-CG 3.92Å; L492-L523 HydrophobicContact CD1-CD2 3.92Å; L492-L523 HydrophobicContact CD1-CG 4.11Å |
| 493 | M | 80.1 | Confident | 66.4 | Low | 92 Ų | 92 | 66.7 Ų | 66.7 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -33.6 | 176.4 | -71.3 | -58.8 | -64.1 | 0 | 0 | 111.8 | S490 L496 S497 L523 | S490-M493 PolarHBondContact O-N 3.46Å; S490-M493 WeakPolarHBondContact OG-CG 3.14Å; S490-M493 PolarHBondContact OG-N 3.12Å; M493-L496 PolarHBondContact O-N 3.45Å; M493-L496 HydrophobicContact SD-CD1 3.99Å; M493-S497 PolarHBondContact O-N 3.05Å; M493-S497 VanDerWaalsContact O-N 3.08Å; M493-L523 HydrophobicContact SD-CD1 3.82Å; M493-L523 HydrophobicContact SD-CD2 4.33Å |
| 494 | R | 81.3 | Confident | 69.1 | Low | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 172.9 | -61.5 | -175.9 | -172.1 | 155.8 | 3.6 | 111.2 | N425 M428 Y460 D489 S490 V491 L492 L496 S497 I498 | N425-R494 VanDerWaalsContact ND2-CZ 3.28Å; N425-R494 PolarHBondContact ND2-NH1 3.25Å; N425-R494 VanDerWaalsContact OD1-CD 3.28Å; N425-R494 WeakPolarHBondContact OD1-CD 3.43Å; N425-R494 PolarHBondContact OD1-NH1 3Å; M428-R494 HydrophobicContact CE-CB 4.46Å; M428-R494 HydrophobicContact SD-CB 4.26Å; Y460-R494 HydrophobicContact CE1-CB 4.46Å; D489-R494 VanDerWaalsContact CG-NH2 3.25Å; D489-R494 IonicContact OD1-CZ 2.88Å; D489-R494 IonicContact OD1-NE 3.19Å; D489-R494 PolarHBondContact OD1-NE 3.3Å; D489-R494 IonicContact OD1-NH2 2.82Å; D489-R494 PolarHBondContact OD1-NH2 3.47Å; D489-R494 IonicContact OD2-NH2 3.93Å; D489-R494 PolarHBondContact OD2-NH2 3.33Å; S490-R494 PolarHBondContact O-N 3.24Å; V491-R494 PolarHBondContact O-N 2.82Å; L492-R494 VanDerWaalsContact C-N 3.31Å; L492-R494 PolarHBondContact O-N 3.19Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 3.39Å; R494-S497 PolarHBondContact O-N 3.41Å; R494-S497 PolarHBondContact O-OG 3.05Å; R494-I498 PolarHBondContact O-N 3.34Å |
| 495 | C | 84.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 171.6 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | I457 Y460 V491 L492 S497 I498 L499 V519 | I457-C495 HydrophobicContact CG2-CB 4.45Å; Y460-C495 WeakPolarHBondContact CB-SG 2.91Å; V491-C495 PolarHBondContact O-N 3.07Å; V491-C495 VanDerWaalsContact O-N 3.07Å; V491-C495 PolarHBondContact O-SG 3.24Å; V491-C495 VanDerWaalsContact O-SG 3.35Å; L492-C495 WeakPolarHBondContact O-CB 3.4Å; L492-C495 PolarHBondContact O-N 2.95Å; C495-S497 VanDerWaalsContact C-N 3.35Å; C495-S497 PolarHBondContact O-N 3.49Å; C495-I498 PolarHBondContact O-N 3.42Å; C495-L499 HydrophobicContact CB-CD1 4.32Å; C495-L499 WeakPolarHBondContact O-CB 3.45Å; C495-L499 VanDerWaalsContact O-CG 3.29Å; C495-L499 WeakPolarHBondContact O-CG 3.32Å; C495-L499 PolarHBondContact O-N 3.33Å; C495-V519 HydrophobicContact CB-CG1 4.28Å; C495-V519 HydrophobicContact CB-CG2 3.87Å |
| 496 | L | 85.2 | Confident | 74.2 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 176.9 | -72.3 | -176.9 | 0 | 0 | 0 | 112.7 | L492 M493 R494 I498 L499 E500 T516 V519 L523 | L492-L496 PolarHBondContact O-N 3.38Å; L492-L496 VanDerWaalsContact O-N 3.1Å; M493-L496 PolarHBondContact O-N 3.45Å; M493-L496 HydrophobicContact SD-CD1 3.99Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 3.39Å; L496-I498 PolarHBondContact O-N 3.49Å; L496-I498 VanDerWaalsContact O-N 3.1Å; L496-L499 PolarHBondContact O-N 2.82Å; L496-L499 VanDerWaalsContact O-N 3.12Å; L496-E500 WeakPolarHBondContact O-CB 3.47Å; L496-E500 WeakPolarHBondContact O-CG 3.22Å; L496-E500 PolarHBondContact O-N 3.33Å; L496-T516 HydrophobicContact CD2-CG2 4.46Å; L496-V519 HydrophobicContact CD1-CG1 4.37Å; L496-V519 HydrophobicContact CD2-CB 4.04Å; L496-V519 HydrophobicContact CD2-CG1 3.61Å; L496-V519 HydrophobicContact CG-CG1 3.59Å; L496-L523 HydrophobicContact CD1-CD1 3.37Å; L496-L523 HydrophobicContact CG-CD1 4.12Å |
| 497 | S | 84.9 | Confident | 76.7 | Confident | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -23.4 | 178.5 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | M493 R494 C495 P501 | M493-S497 PolarHBondContact O-N 3.05Å; M493-S497 VanDerWaalsContact O-N 3.08Å; R494-S497 PolarHBondContact O-N 3.41Å; R494-S497 PolarHBondContact O-OG 3.05Å; C495-S497 VanDerWaalsContact C-N 3.35Å; C495-S497 PolarHBondContact O-N 3.49Å; S497-P501 WeakPolarHBondContact O-CD 3.45Å; S497-P501 WeakPolarHBondContact O-CG 3.33Å |
| 498 | I | 84.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -88.9 | -45.2 | 173.9 | -58.4 | 171.6 | 0 | 0 | 0 | 111 | M428 L453 I456 I457 Y460 R494 C495 L496 P501 L502 | M428-I498 HydrophobicContact CB-CD1 4.37Å; M428-I498 HydrophobicContact CG-CD1 3.68Å; M428-I498 HydrophobicContact CG-CG1 3.71Å; M428-I498 HydrophobicContact SD-CD1 3.65Å; M428-I498 HydrophobicContact SD-CG1 3.68Å; L453-I498 HydrophobicContact CB-CG2 3.82Å; L453-I498 HydrophobicContact CD1-CG2 4.07Å; L453-I498 HydrophobicContact CD2-CG2 3.81Å; L453-I498 HydrophobicContact CG-CG2 4.11Å; I456-I498 HydrophobicContact CG2-CD1 3.66Å; I457-I498 HydrophobicContact CD1-CB 4.24Å; I457-I498 HydrophobicContact CD1-CG2 3.78Å; I457-I498 HydrophobicContact CG1-CB 4.31Å; I457-I498 HydrophobicContact CG1-CD1 4.15Å; I457-I498 HydrophobicContact CG1-CG2 4.15Å; Y460-I498 HydrophobicContact CD2-CD1 4.41Å; Y460-I498 HydrophobicContact CE2-CD1 4.06Å; R494-I498 PolarHBondContact O-N 3.34Å; C495-I498 PolarHBondContact O-N 3.42Å; L496-I498 PolarHBondContact O-N 3.49Å; L496-I498 VanDerWaalsContact O-N 3.1Å; I498-P501 WeakPolarHBondContact O-CD 3.41Å; I498-L502 PolarHBondContact O-N 2.89Å |
| 499 | L | 85.9 | Confident | 81 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.9 | -34.1 | -174 | -76.8 | 167.7 | 0 | 0 | 0 | 113.1 | I457 C495 L496 L502 T503 L515 V519 | I457-L499 HydrophobicContact CD1-CD1 4.36Å; I457-L499 HydrophobicContact CD1-CD2 3.47Å; I457-L499 VanDerWaalsContact CD1-CD2 3.47Å; I457-L499 HydrophobicContact CD1-CG 3.6Å; I457-L499 HydrophobicContact CG1-CG 4.42Å; I457-L499 HydrophobicContact CG2-CD1 4.48Å; C495-L499 HydrophobicContact CB-CD1 4.32Å; C495-L499 WeakPolarHBondContact O-CB 3.45Å; C495-L499 VanDerWaalsContact O-CG 3.29Å; C495-L499 WeakPolarHBondContact O-CG 3.32Å; C495-L499 PolarHBondContact O-N 3.33Å; L496-L499 PolarHBondContact O-N 2.82Å; L496-L499 VanDerWaalsContact O-N 3.12Å; L499-L502 PolarHBondContact O-N 3.03Å; L499-T503 WeakPolarHBondContact O-CB 3.45Å; L499-T503 WeakPolarHBondContact O-CG2 3.15Å; L499-T503 PolarHBondContact O-N 2.83Å; L499-T503 PolarHBondContact O-OG1 3.18Å; L499-L515 HydrophobicContact CD1-CB 4.05Å; L499-L515 HydrophobicContact CD2-CB 3.8Å; L499-V519 HydrophobicContact CD1-CB 4.44Å; L499-V519 HydrophobicContact CD1-CG2 3.86Å |
| 500 | E | 85 | Confident | 82.5 | Confident | 99 Ų | 99 | 31.4 Ų | 31.4 | 46% | 0.463 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.5 | -54.9 | 178.8 | -76.8 | 175.7 | -175.3 | 0 | 0 | 112 | L496 L502 T503 L504 | L496-E500 WeakPolarHBondContact O-CB 3.47Å; L496-E500 WeakPolarHBondContact O-CG 3.22Å; L496-E500 PolarHBondContact O-N 3.33Å; E500-L502 VanDerWaalsContact C-N 3.28Å; E500-L502 PolarHBondContact O-N 3.48Å; E500-T503 PolarHBondContact O-N 2.91Å; E500-T503 PolarHBondContact O-OG1 2.96Å; E500-L504 WeakPolarHBondContact O-CB 3.34Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.15Å; E500-L504 PolarHBondContact O-N 2.81Å |
| 501 | P | 84.3 | Confident | 83.3 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58 | -37 | 173.2 | -24.8 | 32.3 | 0 | 0 | 0 | 114.1 | S497 I498 S505 | S497-P501 WeakPolarHBondContact O-CD 3.45Å; S497-P501 WeakPolarHBondContact O-CG 3.33Å; I498-P501 WeakPolarHBondContact O-CD 3.41Å; P501-S505 WeakPolarHBondContact O-CB 3.46Å; P501-S505 PolarHBondContact O-N 3.24Å; P501-S505 PolarHBondContact O-OG 3.11Å |
| 502 | L | 85.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.2 | -46.3 | 179.9 | 178.9 | 62.1 | 0 | 0 | 0 | 111.8 | L448 P450 L454 I498 L499 E500 L504 S505 A506 F509 | L448-L502 HydrophobicContact CD2-CD1 3.99Å; P450-L502 HydrophobicContact CB-CD1 3.88Å; P450-L502 HydrophobicContact CG-CD1 4.12Å; L454-L502 HydrophobicContact CD2-CD2 4.33Å; I498-L502 PolarHBondContact O-N 2.89Å; L499-L502 PolarHBondContact O-N 3.03Å; E500-L502 VanDerWaalsContact C-N 3.28Å; E500-L502 PolarHBondContact O-N 3.48Å; L502-L504 VanDerWaalsContact C-N 3.34Å; L502-S505 PolarHBondContact O-N 3Å; L502-S505 PolarHBondContact O-OG 3.35Å; L502-A506 PolarHBondContact O-N 3.44Å; L502-F509 HydrophobicContact CD1-CD1 4.42Å; L502-F509 HydrophobicContact CD2-CD1 4.2Å; L502-F509 HydrophobicContact CD2-CE1 4.21Å; L502-F509 HydrophobicContact CG-CD1 4.4Å |
| 503 | T | 85.6 | Confident | 84.2 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.2 | -28 | 180 | 50.3 | 0 | 0 | 0 | 0 | 113 | L499 E500 P507 I513 T516 | L499-T503 WeakPolarHBondContact O-CB 3.45Å; L499-T503 WeakPolarHBondContact O-CG2 3.15Å; L499-T503 PolarHBondContact O-N 2.83Å; L499-T503 PolarHBondContact O-OG1 3.18Å; E500-T503 PolarHBondContact O-N 2.91Å; E500-T503 PolarHBondContact O-OG1 2.96Å; T503-P507 WeakPolarHBondContact O-CA 3.49Å; T503-I513 HydrophobicContact CG2-CG1 4.44Å; T503-T516 VanDerWaalsContact CG2-OG1 3.3Å; T503-T516 WeakPolarHBondContact CG2-OG1 3.22Å |
| 504 | L | 85.4 | Confident | 84.6 | Confident | 128 Ų | 128 | 26.5 Ų | 26.5 | 67% | 0.67 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -70.4 | -40.7 | 171.9 | -73.8 | 168.4 | 0 | 0 | 0 | 112.4 | E500 L502 | E500-L504 WeakPolarHBondContact O-CB 3.34Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.15Å; E500-L504 PolarHBondContact O-N 2.81Å; L502-L504 VanDerWaalsContact C-N 3.34Å |
| 505 | S | 82.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -82.6 | -29.6 | -178.2 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Y445 L448 P501 L502 | Y445-S505 PolarHBondContact OH-O 2.86Å; L448-S505 WeakPolarHBondContact CD2-OG 3.19Å; P501-S505 WeakPolarHBondContact O-CB 3.46Å; P501-S505 PolarHBondContact O-N 3.24Å; P501-S505 PolarHBondContact O-OG 3.11Å; L502-S505 PolarHBondContact O-N 3Å; L502-S505 PolarHBondContact O-OG 3.35Å |
| 506 | A | 83.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | trans | -132.4 | 77.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C263 Y445 L502 G508 F509 | C263-A506 HydrophobicContact CB-CB 4.01Å; C263-A506 CarbonylContact O-C 3.54Å; C263-A506 VanDerWaalsContact O-CA 3.31Å; C263-A506 WeakPolarHBondContact O-CA 3.42Å; Y445-A506 HydrophobicContact CE1-CB 4.43Å; L502-A506 PolarHBondContact O-N 3.44Å; A506-G508 VanDerWaalsContact C-N 3.27Å; A506-G508 PolarHBondContact O-N 3.43Å; A506-F509 HydrophobicContact CB-CB 3.75Å; A506-F509 VanDerWaalsContact O-CB 3.24Å; A506-F509 WeakPolarHBondContact O-CB 3.34Å; A506-F509 PolarHBondContact O-N 3.24Å; A506-F509 VanDerWaalsContact O-N 3.09Å | ||
| 507 | P | 83.4 | Confident | 85.2 | Confident | 48 Ų | 48 | 24.7 Ų | 24.7 | 31% | 0.312 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21 | -174.5 | 27.9 | -35.6 | 0 | 0 | 0 | 114.1 | C263 Y264 T503 I513 | C263-P507 VanDerWaalsContact O-CD 3.29Å; C263-P507 WeakPolarHBondContact O-CD 3.43Å; C263-P507 VanDerWaalsContact O-N 3.14Å; Y264-P507 HydrophobicContact CD2-CG 3.59Å; Y264-P507 HydrophobicContact CE2-CG 4.11Å; Y264-P507 HydrophobicContact CG-CG 4.48Å; T503-P507 WeakPolarHBondContact O-CA 3.49Å; P507-I513 WeakPolarHBondContact O-CD1 3.45Å |
| 508 | G | 81.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C263 Y264 A506 Q510 | C263-G508 WeakPolarHBondContact O-CA 3.46Å; C263-G508 PolarHBondContact O-N 3.48Å; Y264-G508 WeakPolarHBondContact O-CA 3.44Å; Y264-G508 PolarHBondContact O-N 3Å; A506-G508 VanDerWaalsContact C-N 3.27Å; A506-G508 PolarHBondContact O-N 3.43Å; G508-Q510 PolarHBondContact O-N 2.76Å |
| 509 | F | 85.2 | Confident | 85.3 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 5% | 0.048 | 13% | 0.127 | C | C | . | . | trans | -75 | 88 | -178.7 | -167.2 | -112 | 0 | 0 | 0 | 111.2 | P450 L454 L502 A506 M511 G512 I513 | P450-F509 HydrophobicContact CB-CE1 4.1Å; P450-F509 HydrophobicContact CB-CE2 4.26Å; P450-F509 HydrophobicContact CB-CZ 3.86Å; L454-F509 HydrophobicContact CD1-CE1 3.51Å; L454-F509 HydrophobicContact CD1-CZ 3.58Å; L454-F509 HydrophobicContact CD2-CE1 4.15Å; L454-F509 HydrophobicContact CG-CE1 3.93Å; L454-F509 HydrophobicContact CG-CZ 4.36Å; L502-F509 HydrophobicContact CD1-CD1 4.42Å; L502-F509 HydrophobicContact CD2-CD1 4.2Å; L502-F509 HydrophobicContact CD2-CE1 4.21Å; L502-F509 HydrophobicContact CG-CD1 4.4Å; A506-F509 HydrophobicContact CB-CB 3.75Å; A506-F509 VanDerWaalsContact O-CB 3.24Å; A506-F509 WeakPolarHBondContact O-CB 3.34Å; A506-F509 PolarHBondContact O-N 3.24Å; A506-F509 VanDerWaalsContact O-N 3.09Å; F509-M511 VanDerWaalsContact C-N 3.33Å; F509-M511 PolarHBondContact O-N 3.25Å; F509-M511 VanDerWaalsContact O-N 3.15Å; F509-G512 PolarHBondContact O-N 2.78Å; F509-I513 PolarHBondContact O-N 3.34Å | ||
| 510 | Q | 83.5 | Confident | 85.3 | Confident | 44 Ų | 44 | 24.8 Ų | 24.8 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -47.1 | -47.5 | -169.4 | -170.6 | -176.7 | -26 | 0 | 0 | 114.1 | G508 G512 I513 Y514 C536 N540 F543 | G508-Q510 PolarHBondContact O-N 2.76Å; Q510-G512 PolarHBondContact O-N 3.02Å; Q510-I513 PolarHBondContact O-N 3.43Å; Q510-Y514 PolarHBondContact O-N 2.82Å; Q510-C536 VanDerWaalsContact CG-SG 3.58Å; Q510-N540 PolarHBondContact OE1-ND2 3.29Å; Q510-F543 VanDerWaalsContact NE2-CB 3.26Å |
| 511 | M | 83.4 | Confident | 85.3 | Confident | 28 Ų | 28 | 21.3 Ų | 21.3 | 14% | 0.138 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68 | -35.7 | -178 | -169.2 | 62.7 | -171.3 | 0 | 0 | 112.7 | L454 F509 Y514 L515 Y625 F627 | L454-M511 HydrophobicContact CD1-CB 4.05Å; L454-M511 HydrophobicContact CD1-CG 3.87Å; L454-M511 HydrophobicContact CD2-CG 4.11Å; F509-M511 VanDerWaalsContact C-N 3.33Å; F509-M511 PolarHBondContact O-N 3.25Å; F509-M511 VanDerWaalsContact O-N 3.15Å; M511-Y514 HydrophobicContact CE-CD1 4.1Å; M511-Y514 HydrophobicContact CE-CE1 4.49Å; M511-Y514 PolarHBondContact O-N 3.43Å; M511-Y514 HydrophobicContact SD-CD1 4.1Å; M511-L515 HydrophobicContact CE-CD1 4.12Å; M511-L515 HydrophobicContact CE-CD2 3.85Å; M511-L515 HydrophobicContact CE-CG 3.89Å; M511-L515 HydrophobicContact CG-CD1 4.41Å; M511-L515 WeakPolarHBondContact O-CG 3.23Å; M511-L515 PolarHBondContact O-N 3.49Å; M511-Y625 WeakPolarHBondContact CE-O 3.36Å; M511-F627 HydrophobicContact CE-CD2 4.2Å; M511-F627 HydrophobicContact CE-CE2 4.08Å |
| 512 | G | 85.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F509 Q510 L515 T516 | F509-G512 PolarHBondContact O-N 2.78Å; Q510-G512 PolarHBondContact O-N 3.02Å; G512-L515 PolarHBondContact O-N 3.24Å; G512-T516 WeakPolarHBondContact O-CB 3.26Å; G512-T516 PolarHBondContact O-N 3.17Å; G512-T516 PolarHBondContact O-OG1 3.48Å |
| 513 | I | 87.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.046 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 177 | -53.2 | 168.2 | 0 | 0 | 0 | 110.7 | T503 P507 F509 Q510 T516 A517 N532 K535 C536 | T503-I513 HydrophobicContact CG2-CG1 4.44Å; P507-I513 WeakPolarHBondContact O-CD1 3.45Å; F509-I513 PolarHBondContact O-N 3.34Å; Q510-I513 PolarHBondContact O-N 3.43Å; I513-T516 WeakPolarHBondContact O-CB 3.48Å; I513-T516 PolarHBondContact O-N 3.33Å; I513-A517 PolarHBondContact O-N 3.31Å; I513-N532 HydrophobicContact CG2-CB 4.06Å; I513-N532 WeakPolarHBondContact CG2-O 3.34Å; I513-K535 HydrophobicContact CG2-CB 4.33Å; I513-C536 HydrophobicContact CB-CB 4.38Å; I513-C536 HydrophobicContact CG2-CB 4.02Å |
| 514 | Y | 89 | Confident | 84.1 | Confident | 11 Ų | 11 | 23 Ų | 23 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 178.2 | 173.5 | -99.5 | 0 | 0 | 0 | 112.2 | Q510 M511 T516 A517 Y518 F543 D545 L549 F627 | Q510-Y514 PolarHBondContact O-N 2.82Å; M511-Y514 HydrophobicContact CE-CD1 4.1Å; M511-Y514 HydrophobicContact CE-CE1 4.49Å; M511-Y514 PolarHBondContact O-N 3.43Å; M511-Y514 HydrophobicContact SD-CD1 4.1Å; Y514-T516 VanDerWaalsContact C-N 3.32Å; Y514-T516 PolarHBondContact O-N 2.92Å; Y514-A517 WeakPolarHBondContact O-CB 3.3Å; Y514-A517 PolarHBondContact O-N 2.71Å; Y514-Y518 PolarHBondContact O-N 3.5Å; Y514-F543 AromaticContact CD2-CE1 3.58Å; Y514-F543 HydrophobicContact CD2-CE1 3.58Å; Y514-F543 AromaticContact CD2-CZ 3.91Å; Y514-F543 HydrophobicContact CD2-CZ 3.91Å; Y514-F543 HydrophobicContact CE2-CE1 4.27Å; Y514-F543 HydrophobicContact CE2-CZ 4.44Å; Y514-F543 AromaticContact CG-CE1 3.94Å; Y514-F543 HydrophobicContact CG-CE1 3.94Å; Y514-F543 AromaticContact CG-CZ 3.95Å; Y514-F543 HydrophobicContact CG-CZ 3.95Å; Y514-D545 HydrophobicContact CD2-CB 4.4Å; Y514-D545 HydrophobicContact CE2-CB 3.71Å; Y514-D545 WeakPolarHBondContact CE2-O 3.4Å; Y514-L549 HydrophobicContact CD2-CD2 4Å; Y514-L549 HydrophobicContact CE2-CB 3.93Å; Y514-L549 HydrophobicContact CE2-CD2 3.64Å; Y514-L549 HydrophobicContact CE2-CG 4.43Å; Y514-F627 AromaticContact CE1-CD2 3.76Å; Y514-F627 HydrophobicContact CE1-CD2 3.76Å; Y514-F627 AromaticContact CE1-CE2 3.86Å; Y514-F627 HydrophobicContact CE1-CE2 3.86Å |
| 515 | L | 86.9 | Confident | 84 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 177.9 | -71 | 179.2 | 0 | 0 | 0 | 112.2 | L454 I457 L461 L499 M511 G512 A517 Y518 V519 F627 | L454-L515 HydrophobicContact CD2-CD1 3.48Å; L454-L515 VanDerWaalsContact CD2-CD1 3.48Å; I457-L515 HydrophobicContact CB-CD1 4.46Å; I457-L515 HydrophobicContact CG2-CD1 3.89Å; L461-L515 HydrophobicContact CD1-CD2 3.78Å; L499-L515 HydrophobicContact CD1-CB 4.05Å; L499-L515 HydrophobicContact CD2-CB 3.8Å; M511-L515 HydrophobicContact CE-CD1 4.12Å; M511-L515 HydrophobicContact CE-CD2 3.85Å; M511-L515 HydrophobicContact CE-CG 3.89Å; M511-L515 HydrophobicContact CG-CD1 4.41Å; M511-L515 WeakPolarHBondContact O-CG 3.23Å; M511-L515 PolarHBondContact O-N 3.49Å; G512-L515 PolarHBondContact O-N 3.24Å; L515-A517 VanDerWaalsContact C-N 3.33Å; L515-A517 PolarHBondContact O-N 2.99Å; L515-Y518 PolarHBondContact O-N 3.28Å; L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.23Å; L515-V519 PolarHBondContact O-N 3.05Å; L515-F627 HydrophobicContact CD2-CE2 4.1Å |
| 516 | T | 88.2 | Confident | 84 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 174.6 | -51.3 | 0 | 0 | 0 | 0 | 111 | L496 T503 G512 I513 Y514 H520 N532 | L496-T516 HydrophobicContact CD2-CG2 4.46Å; T503-T516 VanDerWaalsContact CG2-OG1 3.3Å; T503-T516 WeakPolarHBondContact CG2-OG1 3.22Å; G512-T516 WeakPolarHBondContact O-CB 3.26Å; G512-T516 PolarHBondContact O-N 3.17Å; G512-T516 PolarHBondContact O-OG1 3.48Å; I513-T516 WeakPolarHBondContact O-CB 3.48Å; I513-T516 PolarHBondContact O-N 3.33Å; Y514-T516 VanDerWaalsContact C-N 3.32Å; Y514-T516 PolarHBondContact O-N 2.92Å; T516-H520 PolarHBondContact O-CD2 3.03Å; T516-H520 PolarHBondContact O-N 3.29Å; T516-H520 VanDerWaalsContact O-N 3.09Å; T516-N532 WeakPolarHBondContact CG2-ND2 3.47Å |
| 517 | A | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I513 Y514 L515 H520 Y521 A529 N532 V533 L549 | I513-A517 PolarHBondContact O-N 3.31Å; Y514-A517 WeakPolarHBondContact O-CB 3.3Å; Y514-A517 PolarHBondContact O-N 2.71Å; L515-A517 VanDerWaalsContact C-N 3.33Å; L515-A517 PolarHBondContact O-N 2.99Å; A517-H520 PolarHBondContact O-N 2.94Å; A517-Y521 WeakPolarHBondContact O-CB 3.49Å; A517-Y521 PolarHBondContact O-N 3.36Å; A517-A529 WeakPolarHBondContact O-CB 3.49Å; A517-N532 HydrophobicContact CB-CB 3.87Å; A517-V533 HydrophobicContact CB-CB 4.48Å; A517-V533 HydrophobicContact CB-CG2 3.39Å; A517-L549 HydrophobicContact CB-CD2 3.94Å |
| 518 | Y | 86.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 14% | 0.137 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | -179.8 | -177.2 | -92.3 | 0 | 0 | 0 | 112.3 | L461 Y514 L515 Y521 M522 L549 | L461-Y518 HydrophobicContact CD1-CD1 4.37Å; L461-Y518 HydrophobicContact CD1-CE1 4.48Å; L461-Y518 HydrophobicContact CD2-CD1 4.17Å; L461-Y518 HydrophobicContact CD2-CE1 4.04Å; Y514-Y518 PolarHBondContact O-N 3.5Å; L515-Y518 PolarHBondContact O-N 3.28Å; Y518-Y521 WeakPolarHBondContact O-CB 3.3Å; Y518-Y521 PolarHBondContact O-N 3.43Å; Y518-M522 HydrophobicContact CD1-CG 4.31Å; Y518-M522 HydrophobicContact CE1-CE 3.77Å; Y518-M522 HydrophobicContact CE1-CG 3.99Å; Y518-M522 HydrophobicContact CE2-CE 4.03Å; Y518-M522 WeakPolarHBondContact O-CG 3.38Å; Y518-M522 PolarHBondContact O-N 3.23Å; Y518-M522 WeakPolarHBondContact OH-CE 3.25Å; Y518-L549 HydrophobicContact CD2-CD1 3.98Å |
| 519 | V | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L461 L492 C495 L496 L499 L515 Y521 M522 L523 | L461-V519 HydrophobicContact CD2-CG2 4.11Å; L492-V519 HydrophobicContact CB-CG1 4.14Å; L492-V519 HydrophobicContact CD2-CG1 4.23Å; L492-V519 VanDerWaalsContact O-CG1 3.28Å; L492-V519 WeakPolarHBondContact O-CG1 3.25Å; C495-V519 HydrophobicContact CB-CG1 4.28Å; C495-V519 HydrophobicContact CB-CG2 3.87Å; L496-V519 HydrophobicContact CD1-CG1 4.37Å; L496-V519 HydrophobicContact CD2-CB 4.04Å; L496-V519 HydrophobicContact CD2-CG1 3.61Å; L496-V519 HydrophobicContact CG-CG1 3.59Å; L499-V519 HydrophobicContact CD1-CB 4.44Å; L499-V519 HydrophobicContact CD1-CG2 3.86Å; L515-V519 VanDerWaalsContact O-CG2 3.31Å; L515-V519 WeakPolarHBondContact O-CG2 3.23Å; L515-V519 PolarHBondContact O-N 3.05Å; V519-Y521 VanDerWaalsContact C-N 3.32Å; V519-Y521 PolarHBondContact O-N 3.5Å; V519-M522 PolarHBondContact O-N 3.4Å; V519-L523 HydrophobicContact CG1-CD1 4.02Å; V519-L523 WeakPolarHBondContact O-CG 3.32Å; V519-L523 PolarHBondContact O-N 3.32Å |
| 520 | H | 86 | Confident | 85 | Confident | 14 Ų | 14 | 32.5 Ų | 32.5 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 173.6 | -78.4 | -53.4 | 0 | 0 | 0 | 113.1 | T516 A517 L523 R524 N525 I528 A529 | T516-H520 PolarHBondContact O-CD2 3.03Å; T516-H520 PolarHBondContact O-N 3.29Å; T516-H520 VanDerWaalsContact O-N 3.09Å; A517-H520 PolarHBondContact O-N 2.94Å; H520-L523 CarbonylContact O-C 3.25Å; H520-L523 PolarHBondContact O-N 3.35Å; H520-R524 PolarHBondContact O-N 3.47Å; H520-R524 VanDerWaalsContact O-N 3.13Å; H520-N525 HydrophobicContact CB-CB 4.14Å; H520-N525 PolarHBondContact O-N 2.91Å; H520-I528 VanDerWaalsContact CD2-CG2 3.41Å; H520-I528 WeakPolarHBondContact CD2-CG2 2.87Å; H520-A529 HydrophobicContact CB-CB 4.01Å |
| 521 | Y | 85 | Confident | 85.4 | Confident | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 172 | 162.4 | -108.5 | 0 | 0 | 0 | 111.4 | P468 A517 Y518 V519 L523 R524 L549 I553 Y556 | P468-Y521 HydrophobicContact CG-CE1 4.46Å; P468-Y521 HydrophobicContact CG-CE2 4.35Å; A517-Y521 WeakPolarHBondContact O-CB 3.49Å; A517-Y521 PolarHBondContact O-N 3.36Å; Y518-Y521 WeakPolarHBondContact O-CB 3.3Å; Y518-Y521 PolarHBondContact O-N 3.43Å; V519-Y521 VanDerWaalsContact C-N 3.32Å; V519-Y521 PolarHBondContact O-N 3.5Å; Y521-L523 VanDerWaalsContact C-N 3.34Å; Y521-L523 PolarHBondContact O-N 3.2Å; Y521-R524 PolarHBondContact O-N 2.93Å; Y521-L549 HydrophobicContact CD1-CD1 4.1Å; Y521-L549 HydrophobicContact CG-CD1 4.31Å; Y521-I553 HydrophobicContact CD2-CB 4.34Å; Y521-I553 HydrophobicContact CD2-CG1 3.53Å; Y521-I553 HydrophobicContact CE2-CG1 4.23Å; Y521-I553 HydrophobicContact CG-CG1 3.97Å; Y521-Y556 HydrophobicContact CE2-CG 4.25Å |
| 522 | M | 79.1 | Confident | 85.7 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 176.6 | -70.2 | -60.3 | -169.2 | 0 | 0 | 113 | L492 Y518 V519 R524 | L492-M522 HydrophobicContact CD1-CB 3.66Å; L492-M522 HydrophobicContact CD2-CB 3.85Å; L492-M522 HydrophobicContact CD2-CG 4.37Å; L492-M522 HydrophobicContact CG-CB 4.43Å; Y518-M522 HydrophobicContact CD1-CG 4.31Å; Y518-M522 HydrophobicContact CE1-CE 3.77Å; Y518-M522 HydrophobicContact CE1-CG 3.99Å; Y518-M522 HydrophobicContact CE2-CE 4.03Å; Y518-M522 WeakPolarHBondContact O-CG 3.38Å; Y518-M522 PolarHBondContact O-N 3.23Å; Y518-M522 WeakPolarHBondContact OH-CE 3.25Å; V519-M522 PolarHBondContact O-N 3.4Å; M522-R524 PolarHBondContact O-N 3.25Å |
| 523 | L | 77.6 | Confident | 85.9 | Confident | 40 Ų | 40 | 32.9 Ų | 32.9 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -0.6 | 173.3 | -70 | 169.6 | 0 | 0 | 0 | 113.8 | L492 M493 L496 V519 H520 Y521 N525 | L492-L523 HydrophobicContact CB-CD1 4.28Å; L492-L523 HydrophobicContact CB-CD2 3.74Å; L492-L523 HydrophobicContact CB-CG 3.92Å; L492-L523 HydrophobicContact CD1-CD2 3.92Å; L492-L523 HydrophobicContact CD1-CG 4.11Å; M493-L523 HydrophobicContact SD-CD1 3.82Å; M493-L523 HydrophobicContact SD-CD2 4.33Å; L496-L523 HydrophobicContact CD1-CD1 3.37Å; L496-L523 HydrophobicContact CG-CD1 4.12Å; V519-L523 HydrophobicContact CG1-CD1 4.02Å; V519-L523 WeakPolarHBondContact O-CG 3.32Å; V519-L523 PolarHBondContact O-N 3.32Å; H520-L523 CarbonylContact O-C 3.25Å; H520-L523 PolarHBondContact O-N 3.35Å; Y521-L523 VanDerWaalsContact C-N 3.34Å; Y521-L523 PolarHBondContact O-N 3.2Å; L523-N525 PolarHBondContact O-N 2.98Å |
| 524 | R | 73.4 | Confident | 86.1 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 25% | 0.249 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 14.5 | -177.1 | -51.9 | 168.9 | 159.5 | -143.3 | -17.9 | 114.8 | P468 S469 H520 Y521 M522 T526 Y556 | P468-R524 HydrophobicContact CB-CG 4.43Å; S469-R524 PolarHBondContact O-NE 3.33Å; S469-R524 PolarHBondContact O-NH2 2.87Å; H520-R524 PolarHBondContact O-N 3.47Å; H520-R524 VanDerWaalsContact O-N 3.13Å; Y521-R524 PolarHBondContact O-N 2.93Å; M522-R524 PolarHBondContact O-N 3.25Å; R524-T526 PolarHBondContact O-N 2.66Å; R524-Y556 PolarHBondContact NE-OH 3.47Å |
| 525 | N | 82.5 | Confident | 85.9 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | trans | -81.1 | 65.7 | 171.9 | -74.4 | -9.6 | 0 | 0 | 0 | 110.8 | H520 L523 K527 I528 A529 | H520-N525 HydrophobicContact CB-CB 4.14Å; H520-N525 PolarHBondContact O-N 2.91Å; L523-N525 PolarHBondContact O-N 2.98Å; N525-K527 VanDerWaalsContact C-N 3.33Å; N525-K527 PolarHBondContact O-N 3.03Å; N525-I528 PolarHBondContact O-N 3.05Å; N525-A529 PolarHBondContact O-N 3.36Å; N525-A529 VanDerWaalsContact O-N 3.11Å | ||
| 526 | T | 83.7 | Confident | 85.9 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 17% | 0.172 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -32.5 | -168.9 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | R524 A529 I530 I553 Y556 M557 | R524-T526 PolarHBondContact O-N 2.66Å; T526-A529 PolarHBondContact O-N 2.91Å; T526-I530 WeakPolarHBondContact O-CG1 3.38Å; T526-I530 PolarHBondContact O-N 3.19Å; T526-I553 HydrophobicContact CG2-CG2 4.38Å; T526-Y556 HydrophobicContact CG2-CD1 3.91Å; T526-Y556 HydrophobicContact CG2-CE1 4.07Å; T526-M557 HydrophobicContact CG2-CE 4.12Å; T526-M557 VanDerWaalsContact OG1-CE 3.28Å; T526-M557 WeakPolarHBondContact OG1-CE 3.36Å |
| 527 | K | 86.8 | Confident | 85.8 | Confident | 181 Ų | 181 | 42.9 Ų | 42.9 | 79% | 0.787 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.3 | -47.9 | 178.3 | -67.2 | -176.4 | 179.5 | 179.9 | 0 | 112.1 | N525 I530 S531 | N525-K527 VanDerWaalsContact C-N 3.33Å; N525-K527 PolarHBondContact O-N 3.03Å; K527-I530 PolarHBondContact O-N 3.41Å; K527-S531 PolarHBondContact O-N 3.39Å |
| 528 | I | 87.3 | Confident | 85.6 | Confident | 80 Ų | 80 | 50 Ų | 50 | 41% | 0.41 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 179.3 | -57.7 | 172.1 | 0 | 0 | 0 | 109.5 | H520 N525 I530 S531 N532 | H520-I528 VanDerWaalsContact CD2-CG2 3.41Å; H520-I528 WeakPolarHBondContact CD2-CG2 2.87Å; N525-I528 PolarHBondContact O-N 3.05Å; I528-I530 PolarHBondContact O-N 3Å; I528-S531 PolarHBondContact O-N 2.94Å; I528-N532 PolarHBondContact O-N 3.31Å |
| 529 | A | 88.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.5 | -50.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A517 H520 N525 T526 S531 N532 V533 I553 | A517-A529 WeakPolarHBondContact O-CB 3.49Å; H520-A529 HydrophobicContact CB-CB 4.01Å; N525-A529 PolarHBondContact O-N 3.36Å; N525-A529 VanDerWaalsContact O-N 3.11Å; T526-A529 PolarHBondContact O-N 2.91Å; A529-S531 VanDerWaalsContact C-N 3.35Å; A529-S531 PolarHBondContact O-N 3.43Å; A529-N532 PolarHBondContact O-N 3.4Å; A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 3.41Å; A529-I553 HydrophobicContact CB-CD1 3.75Å |
| 530 | I | 91.5 | Very high | 85 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.3 | -69.4 | 172.6 | 0 | 0 | 0 | 111.9 | T526 K527 I528 V533 K534 L550 I553 M557 | T526-I530 WeakPolarHBondContact O-CG1 3.38Å; T526-I530 PolarHBondContact O-N 3.19Å; K527-I530 PolarHBondContact O-N 3.41Å; I528-I530 PolarHBondContact O-N 3Å; I530-V533 PolarHBondContact O-N 3.05Å; I530-K534 HydrophobicContact CG2-CD 4.19Å; I530-K534 HydrophobicContact CG2-CG 4.5Å; I530-K534 WeakPolarHBondContact O-CG 3.28Å; I530-K534 PolarHBondContact O-N 3.22Å; I530-L550 HydrophobicContact CB-CD1 4.48Å; I530-L550 HydrophobicContact CG1-CD1 4.11Å; I530-L550 HydrophobicContact CG2-CD1 4.15Å; I530-I553 HydrophobicContact CD1-CG2 3.97Å; I530-I553 HydrophobicContact CG1-CD1 4.49Å; I530-I553 HydrophobicContact CG1-CG2 3.72Å; I530-M557 HydrophobicContact CD1-CE 3.35Å; I530-M557 HydrophobicContact CD1-SD 4.1Å; I530-M557 HydrophobicContact CG1-CE 4.45Å |
| 531 | S | 91.9 | Very high | 84.9 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 179.9 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | K527 I528 A529 K534 K535 | K527-S531 PolarHBondContact O-N 3.39Å; I528-S531 PolarHBondContact O-N 2.94Å; A529-S531 VanDerWaalsContact C-N 3.35Å; A529-S531 PolarHBondContact O-N 3.43Å; S531-K534 PolarHBondContact O-N 3Å; S531-K535 WeakPolarHBondContact O-CG 3.33Å; S531-K535 PolarHBondContact O-N 3.49Å; S531-K535 VanDerWaalsContact O-N 3.1Å |
| 532 | N | 89.4 | Confident | 84.7 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 179.2 | -73.8 | -19.2 | 0 | 0 | 0 | 112.2 | I513 T516 A517 I528 A529 K534 K535 C536 | I513-N532 HydrophobicContact CG2-CB 4.06Å; I513-N532 WeakPolarHBondContact CG2-O 3.34Å; T516-N532 WeakPolarHBondContact CG2-ND2 3.47Å; A517-N532 HydrophobicContact CB-CB 3.87Å; I528-N532 PolarHBondContact O-N 3.31Å; A529-N532 PolarHBondContact O-N 3.4Å; N532-K534 VanDerWaalsContact C-N 3.33Å; N532-K534 PolarHBondContact O-N 3.35Å; N532-K535 PolarHBondContact O-N 3.02Å; N532-C536 PolarHBondContact O-N 3.46Å |
| 533 | V | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 174 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | A517 A529 I530 C536 L537 G546 L549 L550 I553 | A517-V533 HydrophobicContact CB-CB 4.48Å; A517-V533 HydrophobicContact CB-CG2 3.39Å; A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 3.41Å; I530-V533 PolarHBondContact O-N 3.05Å; V533-C536 WeakPolarHBondContact O-CB 3.5Å; V533-C536 PolarHBondContact O-N 3.23Å; V533-L537 HydrophobicContact CG1-CD1 4.16Å; V533-L537 HydrophobicContact CG1-CG 4.42Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.03Å; V533-G546 WeakPolarHBondContact CG1-O 3.46Å; V533-L549 HydrophobicContact CG2-CB 4.48Å; V533-L549 HydrophobicContact CG2-CD2 3.75Å; V533-L549 HydrophobicContact CG2-CG 3.98Å; V533-L550 HydrophobicContact CG1-CB 3.89Å; V533-I553 HydrophobicContact CG2-CD1 4.12Å |
| 534 | K | 90.5 | Very high | 85 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.6 | -74.4 | -179.2 | 176.8 | -172.2 | 0 | 112 | I530 S531 N532 C536 L537 E538 | I530-K534 HydrophobicContact CG2-CD 4.19Å; I530-K534 HydrophobicContact CG2-CG 4.5Å; I530-K534 WeakPolarHBondContact O-CG 3.28Å; I530-K534 PolarHBondContact O-N 3.22Å; S531-K534 PolarHBondContact O-N 3Å; N532-K534 VanDerWaalsContact C-N 3.33Å; N532-K534 PolarHBondContact O-N 3.35Å; K534-C536 VanDerWaalsContact C-N 3.29Å; K534-C536 PolarHBondContact O-N 3.14Å; K534-L537 PolarHBondContact O-N 2.93Å; K534-L537 VanDerWaalsContact O-N 3.08Å; K534-E538 WeakPolarHBondContact O-CG 3.44Å; K534-E538 PolarHBondContact O-N 3.27Å |
| 535 | K | 85.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.457 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 173.2 | -68.8 | 177.9 | -178.6 | -177.8 | 0 | 112.1 | I513 S531 N532 L537 E538 V539 | I513-K535 HydrophobicContact CG2-CB 4.33Å; S531-K535 WeakPolarHBondContact O-CG 3.33Å; S531-K535 PolarHBondContact O-N 3.49Å; S531-K535 VanDerWaalsContact O-N 3.1Å; N532-K535 PolarHBondContact O-N 3.02Å; K535-L537 VanDerWaalsContact C-N 3.29Å; K535-L537 PolarHBondContact O-N 3.33Å; K535-E538 WeakPolarHBondContact O-CB 3.24Å; K535-E538 PolarHBondContact O-N 2.9Å; K535-V539 PolarHBondContact O-N 3.5Å |
| 536 | C | 86 | Confident | 85.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -36 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | Q510 I513 N532 V533 K534 N540 F543 | Q510-C536 VanDerWaalsContact CG-SG 3.58Å; I513-C536 HydrophobicContact CB-CB 4.38Å; I513-C536 HydrophobicContact CG2-CB 4.02Å; N532-C536 PolarHBondContact O-N 3.46Å; V533-C536 WeakPolarHBondContact O-CB 3.5Å; V533-C536 PolarHBondContact O-N 3.23Å; K534-C536 VanDerWaalsContact C-N 3.29Å; K534-C536 PolarHBondContact O-N 3.14Å; C536-N540 PolarHBondContact O-N 3.31Å; C536-F543 WeakPolarHBondContact SG-CD1 3.49Å; C536-F543 WeakPolarHBondContact SG-CE1 3.43Å |
| 537 | L | 86.2 | Confident | 85.8 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -77.9 | -25.2 | 177.8 | -67.9 | 175.5 | 0 | 0 | 0 | 113 | V533 K534 K535 N540 P541 Y547 L550 | V533-L537 HydrophobicContact CG1-CD1 4.16Å; V533-L537 HydrophobicContact CG1-CG 4.42Å; V533-L537 WeakPolarHBondContact O-CG 3.43Å; V533-L537 PolarHBondContact O-N 3.03Å; K534-L537 PolarHBondContact O-N 2.93Å; K534-L537 VanDerWaalsContact O-N 3.08Å; K535-L537 VanDerWaalsContact C-N 3.29Å; K535-L537 PolarHBondContact O-N 3.33Å; L537-N540 CarbonylContact O-C 3.56Å; L537-P541 WeakPolarHBondContact O-CA 3.43Å; L537-Y547 HydrophobicContact CD1-CD1 3.96Å; L537-Y547 HydrophobicContact CD1-CE1 3.77Å; L537-Y547 HydrophobicContact CD1-CE2 4.47Å; L537-Y547 HydrophobicContact CD1-CG 4.38Å; L537-Y547 HydrophobicContact CD2-CD1 4.46Å; L537-Y547 HydrophobicContact CD2-CD2 3.71Å; L537-Y547 HydrophobicContact CD2-CE1 4.23Å; L537-Y547 HydrophobicContact CD2-CE2 3.41Å; L537-Y547 VanDerWaalsContact CD2-CE2 3.41Å; L537-Y547 HydrophobicContact CD2-CG 4.21Å; L537-L550 HydrophobicContact CD1-CD2 4.26Å |
| 538 | E | 85.5 | Confident | 85.8 | Confident | 150 Ų | 150 | 42.2 Ų | 42.2 | 70% | 0.701 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.7 | -39.8 | 171.5 | -73.1 | 166.5 | -173.6 | 0 | 0 | 111.4 | K534 K535 | K534-E538 WeakPolarHBondContact O-CG 3.44Å; K534-E538 PolarHBondContact O-N 3.27Å; K535-E538 WeakPolarHBondContact O-CB 3.24Å; K535-E538 PolarHBondContact O-N 2.9Å |
| 539 | V | 79.7 | Confident | 85.8 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 26% | 0.255 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.3 | -47.5 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | K535 | K535-V539 PolarHBondContact O-N 3.5Å |
| 540 | N | 79 | Confident | 85.8 | Confident | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.203 | S | C | . | . | trans | -138.8 | 97.7 | -179.9 | -174 | -5.8 | 0 | 0 | 0 | 111.3 | Q510 C536 L537 S542 F543 | Q510-N540 PolarHBondContact OE1-ND2 3.29Å; C536-N540 PolarHBondContact O-N 3.31Å; L537-N540 CarbonylContact O-C 3.56Å; N540-S542 PolarHBondContact O-N 3.39Å; N540-S542 VanDerWaalsContact O-N 3.1Å; N540-S542 WeakPolarHBondContact OD1-CB 3.36Å; N540-S542 PolarHBondContact OD1-N 3.08Å; N540-S542 PolarHBondContact OD1-OG 2.94Å; N540-F543 HydrophobicContact CB-CB 4.3Å; N540-F543 VanDerWaalsContact O-CB 3.24Å; N540-F543 WeakPolarHBondContact O-CB 3.38Å; N540-F543 PolarHBondContact O-N 3.39Å | ||
| 541 | P | 82.8 | Confident | 85.7 | Confident | 68 Ų | 68 | 37.7 Ų | 37.7 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.1 | 179.1 | -25.8 | 34.9 | 0 | 0 | 0 | 114.4 | L537 F543 Y547 N573 | L537-P541 WeakPolarHBondContact O-CA 3.43Å; P541-F543 VanDerWaalsContact C-N 3.32Å; P541-Y547 VanDerWaalsContact O-CE2 3.28Å; P541-Y547 WeakPolarHBondContact O-CE2 3.29Å; P541-Y547 PolarHBondContact O-OH 2.81Å; P541-N573 WeakPolarHBondContact O-CB 3.22Å; P541-N573 PolarHBondContact O-ND2 3.31Å; P541-N573 VanDerWaalsContact O-ND2 3.11Å |
| 542 | S | 82 | Confident | 85.5 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | N540 L544 | N540-S542 PolarHBondContact O-N 3.39Å; N540-S542 VanDerWaalsContact O-N 3.1Å; N540-S542 WeakPolarHBondContact OD1-CB 3.36Å; N540-S542 PolarHBondContact OD1-N 3.08Å; N540-S542 PolarHBondContact OD1-OG 2.94Å; S542-L544 PolarHBondContact O-N 3.26Å; S542-L544 VanDerWaalsContact O-N 3.15Å |
| 543 | F | 82.7 | Confident | 85.4 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | trans | -72.9 | 104.1 | -178.2 | -176.2 | -129.6 | 0 | 0 | 0 | 112.8 | Q510 Y514 C536 N540 P541 D545 Y547 | Q510-F543 VanDerWaalsContact NE2-CB 3.26Å; Y514-F543 AromaticContact CD2-CE1 3.58Å; Y514-F543 HydrophobicContact CD2-CE1 3.58Å; Y514-F543 AromaticContact CD2-CZ 3.91Å; Y514-F543 HydrophobicContact CD2-CZ 3.91Å; Y514-F543 HydrophobicContact CE2-CE1 4.27Å; Y514-F543 HydrophobicContact CE2-CZ 4.44Å; Y514-F543 AromaticContact CG-CE1 3.94Å; Y514-F543 HydrophobicContact CG-CE1 3.94Å; Y514-F543 AromaticContact CG-CZ 3.95Å; Y514-F543 HydrophobicContact CG-CZ 3.95Å; C536-F543 WeakPolarHBondContact SG-CD1 3.49Å; C536-F543 WeakPolarHBondContact SG-CE1 3.43Å; N540-F543 HydrophobicContact CB-CB 4.3Å; N540-F543 VanDerWaalsContact O-CB 3.24Å; N540-F543 WeakPolarHBondContact O-CB 3.38Å; N540-F543 PolarHBondContact O-N 3.39Å; P541-F543 VanDerWaalsContact C-N 3.32Å; F543-D545 HydrophobicContact CE1-CB 4.02Å; F543-D545 HydrophobicContact CE2-CB 3.87Å; F543-D545 HydrophobicContact CZ-CB 3.6Å; F543-Y547 WeakPolarHBondContact O-CD2 3.36Å | ||
| 544 | L | 80.6 | Confident | 85.4 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.183 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | -177.1 | -68.9 | 94.4 | 0 | 0 | 0 | 113.6 | S542 G546 Y547 I548 N574 V577 | S542-L544 PolarHBondContact O-N 3.26Å; S542-L544 VanDerWaalsContact O-N 3.15Å; L544-G546 PolarHBondContact O-N 3.29Å; L544-Y547 PolarHBondContact O-N 3.48Å; L544-Y547 VanDerWaalsContact O-N 3.07Å; L544-I548 PolarHBondContact O-N 2.88Å; L544-I548 VanDerWaalsContact O-N 3.17Å; L544-N574 HydrophobicContact CD1-CB 4.32Å; L544-N574 WeakPolarHBondContact CD1-ND2 3.42Å; L544-N574 HydrophobicContact CG-CB 4.34Å; L544-V577 HydrophobicContact CB-CG2 4.2Å; L544-V577 VanDerWaalsContact CD2-CA 3.41Å; L544-V577 HydrophobicContact CD2-CB 3.77Å; L544-V577 HydrophobicContact CD2-CG1 4.43Å; L544-V577 HydrophobicContact CD2-CG2 3.17Å; L544-V577 HydrophobicContact CG-CB 4.49Å; L544-V577 HydrophobicContact CG-CG2 3.41Å; L544-V577 VanDerWaalsContact CG-CG2 3.41Å |
| 545 | D | 80.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.027 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -31 | -170.8 | -69.1 | -34.9 | 0 | 0 | 0 | 111.6 | Y514 F543 I548 L549 | Y514-D545 HydrophobicContact CD2-CB 4.4Å; Y514-D545 HydrophobicContact CE2-CB 3.71Å; Y514-D545 WeakPolarHBondContact CE2-O 3.4Å; F543-D545 HydrophobicContact CE1-CB 4.02Å; F543-D545 HydrophobicContact CE2-CB 3.87Å; F543-D545 HydrophobicContact CZ-CB 3.6Å; D545-I548 PolarHBondContact O-N 2.94Å; D545-L549 WeakPolarHBondContact O-CB 3.45Å; D545-L549 PolarHBondContact O-N 2.97Å |
| 546 | G | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V533 L544 I548 L549 L550 | V533-G546 WeakPolarHBondContact CG1-O 3.46Å; L544-G546 PolarHBondContact O-N 3.29Å; G546-I548 PolarHBondContact O-N 3.24Å; G546-L549 PolarHBondContact O-N 2.92Å; G546-L550 WeakPolarHBondContact O-CB 3.41Å; G546-L550 PolarHBondContact O-N 2.93Å |
| 547 | Y | 88.9 | Confident | 85 | Confident | 25 Ų | 25 | 32.6 Ų | 32.6 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.9 | -67.4 | -77.1 | 0 | 0 | 0 | 112.2 | L537 P541 F543 L544 L550 A551 T566 G570 N573 | L537-Y547 HydrophobicContact CD1-CD1 3.96Å; L537-Y547 HydrophobicContact CD1-CE1 3.77Å; L537-Y547 HydrophobicContact CD1-CE2 4.47Å; L537-Y547 HydrophobicContact CD1-CG 4.38Å; L537-Y547 HydrophobicContact CD2-CD1 4.46Å; L537-Y547 HydrophobicContact CD2-CD2 3.71Å; L537-Y547 HydrophobicContact CD2-CE1 4.23Å; L537-Y547 HydrophobicContact CD2-CE2 3.41Å; L537-Y547 VanDerWaalsContact CD2-CE2 3.41Å; L537-Y547 HydrophobicContact CD2-CG 4.21Å; P541-Y547 VanDerWaalsContact O-CE2 3.28Å; P541-Y547 WeakPolarHBondContact O-CE2 3.29Å; P541-Y547 PolarHBondContact O-OH 2.81Å; F543-Y547 WeakPolarHBondContact O-CD2 3.36Å; L544-Y547 PolarHBondContact O-N 3.48Å; L544-Y547 VanDerWaalsContact O-N 3.07Å; Y547-L550 PolarHBondContact O-N 2.81Å; Y547-A551 WeakPolarHBondContact O-CB 3.37Å; Y547-A551 PolarHBondContact O-N 3.22Å; Y547-T566 WeakPolarHBondContact CD1-O 3.49Å; Y547-G570 VanDerWaalsContact CG-CA 3.45Å; Y547-N573 PolarHBondContact OH-ND2 3.48Å |
| 548 | I | 86.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.2 | -63.2 | 172.2 | 0 | 0 | 0 | 110.4 | L544 D545 G546 A551 K552 L582 V586 | L544-I548 PolarHBondContact O-N 2.88Å; L544-I548 VanDerWaalsContact O-N 3.17Å; D545-I548 PolarHBondContact O-N 2.94Å; G546-I548 PolarHBondContact O-N 3.24Å; I548-A551 PolarHBondContact O-N 3.44Å; I548-K552 WeakPolarHBondContact O-CG 3.36Å; I548-K552 PolarHBondContact O-N 3.42Å; I548-L582 HydrophobicContact CD1-CB 4.32Å; I548-L582 HydrophobicContact CG2-CB 3.9Å; I548-V586 HydrophobicContact CG2-CG2 4.13Å |
| 549 | L | 87 | Confident | 84.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 176.8 | -178.6 | 57.7 | 0 | 0 | 0 | 111.8 | Y514 A517 Y518 Y521 V533 D545 G546 A551 K552 I553 | Y514-L549 HydrophobicContact CD2-CD2 4Å; Y514-L549 HydrophobicContact CE2-CB 3.93Å; Y514-L549 HydrophobicContact CE2-CD2 3.64Å; Y514-L549 HydrophobicContact CE2-CG 4.43Å; A517-L549 HydrophobicContact CB-CD2 3.94Å; Y518-L549 HydrophobicContact CD2-CD1 3.98Å; Y521-L549 HydrophobicContact CD1-CD1 4.1Å; Y521-L549 HydrophobicContact CG-CD1 4.31Å; V533-L549 HydrophobicContact CG2-CB 4.48Å; V533-L549 HydrophobicContact CG2-CD2 3.75Å; V533-L549 HydrophobicContact CG2-CG 3.98Å; D545-L549 WeakPolarHBondContact O-CB 3.45Å; D545-L549 PolarHBondContact O-N 2.97Å; G546-L549 PolarHBondContact O-N 2.92Å; L549-A551 VanDerWaalsContact C-N 3.34Å; L549-A551 PolarHBondContact O-N 3.28Å; L549-K552 WeakPolarHBondContact O-CB 3.47Å; L549-K552 PolarHBondContact O-N 2.76Å; L549-I553 HydrophobicContact CD1-CD1 4.38Å; L549-I553 HydrophobicContact CD1-CG1 4.44Å; L549-I553 HydrophobicContact CG-CD1 4.09Å; L549-I553 VanDerWaalsContact O-CG1 3.28Å; L549-I553 WeakPolarHBondContact O-CG1 3.48Å; L549-I553 PolarHBondContact O-N 3.18Å |
| 550 | L | 90.2 | Very high | 85.2 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.4 | -169.8 | 53.1 | 0 | 0 | 0 | 111.6 | I530 V533 L537 G546 Y547 I553 H554 T566 | I530-L550 HydrophobicContact CB-CD1 4.48Å; I530-L550 HydrophobicContact CG1-CD1 4.11Å; I530-L550 HydrophobicContact CG2-CD1 4.15Å; V533-L550 HydrophobicContact CG1-CB 3.89Å; L537-L550 HydrophobicContact CD1-CD2 4.26Å; G546-L550 WeakPolarHBondContact O-CB 3.41Å; G546-L550 PolarHBondContact O-N 2.93Å; Y547-L550 PolarHBondContact O-N 2.81Å; L550-I553 PolarHBondContact O-N 3.09Å; L550-H554 PolarHBondContact O-CD2 3.33Å; L550-H554 PolarHBondContact O-N 3.05Å; L550-T566 HydrophobicContact CD2-CG2 3.74Å; L550-T566 HydrophobicContact CG-CG2 3.88Å |
| 551 | A | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y547 I548 L549 I553 H554 L555 T566 L567 V586 | Y547-A551 WeakPolarHBondContact O-CB 3.37Å; Y547-A551 PolarHBondContact O-N 3.22Å; I548-A551 PolarHBondContact O-N 3.44Å; L549-A551 VanDerWaalsContact C-N 3.34Å; L549-A551 PolarHBondContact O-N 3.28Å; A551-I553 VanDerWaalsContact C-N 3.35Å; A551-I553 PolarHBondContact O-N 2.79Å; A551-H554 PolarHBondContact O-N 3.18Å; A551-L555 WeakPolarHBondContact O-CB 3.3Å; A551-L555 WeakPolarHBondContact O-CG 3.42Å; A551-L555 PolarHBondContact O-N 3.07Å; A551-T566 WeakPolarHBondContact CB-OG1 3.41Å; A551-L567 HydrophobicContact CB-CD1 4.44Å; A551-L567 HydrophobicContact CB-CD2 3.47Å; A551-L567 VanDerWaalsContact CB-CD2 3.47Å; A551-L567 HydrophobicContact CB-CG 3.67Å; A551-V586 HydrophobicContact CB-CG1 3.67Å |
| 552 | K | 87 | Confident | 85.9 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 172 | -77.1 | -179 | 176.1 | -175.2 | 0 | 111.8 | I548 L549 L555 Y556 V586 D634 | I548-K552 WeakPolarHBondContact O-CG 3.36Å; I548-K552 PolarHBondContact O-N 3.42Å; L549-K552 WeakPolarHBondContact O-CB 3.47Å; L549-K552 PolarHBondContact O-N 2.76Å; K552-L555 PolarHBondContact O-N 3.16Å; K552-Y556 PolarHBondContact O-N 2.76Å; K552-V586 HydrophobicContact CD-CG2 4.26Å; K552-V586 HydrophobicContact CG-CG2 3.52Å; K552-D634 IonicContact NZ-OD1 3.75Å |
| 553 | I | 87.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 178.1 | -62.7 | 159.5 | 0 | 0 | 0 | 110.8 | Y521 T526 A529 I530 V533 L549 L550 A551 Y556 M557 | Y521-I553 HydrophobicContact CD2-CB 4.34Å; Y521-I553 HydrophobicContact CD2-CG1 3.53Å; Y521-I553 HydrophobicContact CE2-CG1 4.23Å; Y521-I553 HydrophobicContact CG-CG1 3.97Å; T526-I553 HydrophobicContact CG2-CG2 4.38Å; A529-I553 HydrophobicContact CB-CD1 3.75Å; I530-I553 HydrophobicContact CD1-CG2 3.97Å; I530-I553 HydrophobicContact CG1-CD1 4.49Å; I530-I553 HydrophobicContact CG1-CG2 3.72Å; V533-I553 HydrophobicContact CG2-CD1 4.12Å; L549-I553 HydrophobicContact CD1-CD1 4.38Å; L549-I553 HydrophobicContact CD1-CG1 4.44Å; L549-I553 HydrophobicContact CG-CD1 4.09Å; L549-I553 VanDerWaalsContact O-CG1 3.28Å; L549-I553 WeakPolarHBondContact O-CG1 3.48Å; L549-I553 PolarHBondContact O-N 3.18Å; L550-I553 PolarHBondContact O-N 3.09Å; A551-I553 VanDerWaalsContact C-N 3.35Å; A551-I553 PolarHBondContact O-N 2.79Å; I553-Y556 WeakPolarHBondContact O-CB 2.93Å; I553-Y556 PolarHBondContact O-N 2.81Å; I553-M557 HydrophobicContact CG2-CE 4.11Å; I553-M557 WeakPolarHBondContact O-CG 3.34Å; I553-M557 PolarHBondContact O-N 3.31Å; I553-M557 VanDerWaalsContact O-N 3.07Å |
| 554 | H | 89.5 | Confident | 86.4 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.6 | -76.9 | -55.6 | 0 | 0 | 0 | 113.1 | L550 A551 Y556 M557 S558 N559 A562 A563 | L550-H554 PolarHBondContact O-CD2 3.33Å; L550-H554 PolarHBondContact O-N 3.05Å; A551-H554 PolarHBondContact O-N 3.18Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; H554-M557 PolarHBondContact O-N 3.15Å; H554-S558 PolarHBondContact O-N 3.37Å; H554-N559 PolarHBondContact O-N 3.27Å; H554-A562 HydrophobicContact CB-CB 4.34Å; H554-A563 HydrophobicContact CB-CB 3.71Å |
| 555 | L | 85.9 | Confident | 86.9 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 170.4 | -84.5 | -178.8 | 0 | 0 | 0 | 111.9 | A551 K552 M557 S558 L560 A563 V586 R589 I590 | A551-L555 WeakPolarHBondContact O-CB 3.3Å; A551-L555 WeakPolarHBondContact O-CG 3.42Å; A551-L555 PolarHBondContact O-N 3.07Å; K552-L555 PolarHBondContact O-N 3.16Å; L555-M557 VanDerWaalsContact C-N 3.26Å; L555-M557 PolarHBondContact O-N 2.98Å; L555-S558 PolarHBondContact O-N 3.33Å; L555-L560 HydrophobicContact CD2-CD2 3.74Å; L555-A563 HydrophobicContact CD2-CB 4.31Å; L555-A563 HydrophobicContact CG-CB 4.06Å; L555-V586 HydrophobicContact CD1-CG1 3.64Å; L555-R589 HydrophobicContact CD1-CB 4.13Å; L555-R589 HydrophobicContact CD1-CG 4.22Å; L555-I590 HydrophobicContact CD1-CG1 3.92Å; L555-I590 HydrophobicContact CD2-CB 4.37Å; L555-I590 HydrophobicContact CD2-CD1 4.5Å; L555-I590 HydrophobicContact CD2-CG1 3.42Å; L555-I590 VanDerWaalsContact CD2-CG1 3.42Å; L555-I590 HydrophobicContact CG-CG1 3.84Å |
| 556 | Y | 83.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.9 | -30 | 177.2 | -179.9 | -96 | 0 | 0 | 0 | 113.2 | P468 R476 Y521 R524 T526 K552 I553 H554 S558 | P468-Y556 HydrophobicContact CB-CE2 4.22Å; P468-Y556 HydrophobicContact CG-CD2 3.93Å; P468-Y556 HydrophobicContact CG-CE2 3.85Å; R476-Y556 PolarHBondContact NH2-OH 3.44Å; Y521-Y556 HydrophobicContact CE2-CG 4.25Å; R524-Y556 PolarHBondContact NE-OH 3.47Å; T526-Y556 HydrophobicContact CG2-CD1 3.91Å; T526-Y556 HydrophobicContact CG2-CE1 4.07Å; K552-Y556 PolarHBondContact O-N 2.76Å; I553-Y556 WeakPolarHBondContact O-CB 2.93Å; I553-Y556 PolarHBondContact O-N 2.81Å; H554-Y556 VanDerWaalsContact C-N 3.34Å; Y556-S558 PolarHBondContact O-N 2.96Å |
| 557 | M | 84.4 | Confident | 87.3 | Confident | 74 Ų | 74 | 40.4 Ų | 40.4 | 37% | 0.365 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.2 | 172.3 | -66.8 | -174.7 | 178.2 | 0 | 0 | 114 | T526 I530 I553 H554 L555 N559 | T526-M557 HydrophobicContact CG2-CE 4.12Å; T526-M557 VanDerWaalsContact OG1-CE 3.28Å; T526-M557 WeakPolarHBondContact OG1-CE 3.36Å; I530-M557 HydrophobicContact CD1-CE 3.35Å; I530-M557 HydrophobicContact CD1-SD 4.1Å; I530-M557 HydrophobicContact CG1-CE 4.45Å; I553-M557 HydrophobicContact CG2-CE 4.11Å; I553-M557 WeakPolarHBondContact O-CG 3.34Å; I553-M557 PolarHBondContact O-N 3.31Å; I553-M557 VanDerWaalsContact O-N 3.07Å; H554-M557 PolarHBondContact O-N 3.15Å; L555-M557 VanDerWaalsContact C-N 3.26Å; L555-M557 PolarHBondContact O-N 2.98Å; M557-N559 HydrophobicContact CB-CB 4.49Å; M557-N559 PolarHBondContact O-N 3.36Å |
| 558 | S | 82.2 | Confident | 87.2 | Confident | 104 Ų | 104 | 45.1 Ų | 45.1 | 73% | 0.727 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 21.2 | -170.8 | -54.2 | 0 | 0 | 0 | 0 | 114.2 | H554 L555 Y556 L560 | H554-S558 PolarHBondContact O-N 3.37Å; L555-S558 PolarHBondContact O-N 3.33Å; Y556-S558 PolarHBondContact O-N 2.96Å; S558-L560 PolarHBondContact O-N 3.27Å |
| 559 | N | 86.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | trans | -93.5 | 78.2 | 175.5 | -169.9 | -11 | 0 | 0 | 0 | 110.4 | H554 M557 K561 A562 A563 | H554-N559 PolarHBondContact O-N 3.27Å; M557-N559 HydrophobicContact CB-CB 4.49Å; M557-N559 PolarHBondContact O-N 3.36Å; N559-K561 VanDerWaalsContact C-N 3.34Å; N559-K561 PolarHBondContact O-N 3.29Å; N559-A562 HydrophobicContact CB-CB 4.38Å; N559-A562 PolarHBondContact O-N 3.09Å; N559-A562 PolarHBondContact OD1-N 3.42Å; N559-A563 PolarHBondContact O-N 3.39Å | ||
| 560 | L | 86.7 | Confident | 87 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -38.9 | -174.6 | -58.1 | 178 | 0 | 0 | 0 | 112.9 | L555 S558 A563 E564 E593 Q594 | L555-L560 HydrophobicContact CD2-CD2 3.74Å; S558-L560 PolarHBondContact O-N 3.27Å; L560-A563 PolarHBondContact O-N 3.41Å; L560-E564 PolarHBondContact O-N 2.55Å; L560-E593 HydrophobicContact CD1-CB 4.09Å; L560-E593 HydrophobicContact CD2-CB 3.84Å; L560-E593 HydrophobicContact CD2-CG 4.35Å; L560-Q594 HydrophobicContact CD1-CG 4.4Å |
| 561 | K | 87.9 | Confident | 86.7 | Confident | 166 Ų | 166 | 48.5 Ų | 48.5 | 72% | 0.722 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.9 | -45.6 | -178.7 | -68.6 | -176.5 | 179.2 | 179.4 | 0 | 112.1 | N559 A563 E564 Q565 | N559-K561 VanDerWaalsContact C-N 3.34Å; N559-K561 PolarHBondContact O-N 3.29Å; K561-A563 VanDerWaalsContact C-N 3.33Å; K561-E564 PolarHBondContact O-N 3.21Å; K561-Q565 WeakPolarHBondContact O-CG 3.47Å; K561-Q565 PolarHBondContact O-N 3.32Å |
| 562 | A | 88.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H554 N559 Q565 T566 | H554-A562 HydrophobicContact CB-CB 4.34Å; N559-A562 HydrophobicContact CB-CB 4.38Å; N559-A562 PolarHBondContact O-N 3.09Å; N559-A562 PolarHBondContact OD1-N 3.42Å; A562-Q565 PolarHBondContact O-N 3.5Å; A562-T566 WeakPolarHBondContact O-CB 3.25Å; A562-T566 WeakPolarHBondContact O-CG2 3.28Å; A562-T566 PolarHBondContact O-N 2.97Å; A562-T566 PolarHBondContact O-OG1 2.85Å |
| 563 | A | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H554 L555 N559 L560 K561 T566 L567 I590 | H554-A563 HydrophobicContact CB-CB 3.71Å; L555-A563 HydrophobicContact CD2-CB 4.31Å; L555-A563 HydrophobicContact CG-CB 4.06Å; N559-A563 PolarHBondContact O-N 3.39Å; L560-A563 PolarHBondContact O-N 3.41Å; K561-A563 VanDerWaalsContact C-N 3.33Å; A563-T566 PolarHBondContact O-N 3.12Å; A563-T566 PolarHBondContact O-OG1 3.47Å; A563-L567 PolarHBondContact O-N 3.25Å; A563-L567 VanDerWaalsContact O-N 3.16Å; A563-I590 HydrophobicContact CB-CD1 3.84Å; A563-I590 HydrophobicContact CB-CG1 4.2Å |
| 564 | E | 88 | Confident | 85.5 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 178 | -172.6 | 166.6 | -154.7 | 0 | 0 | 112 | L560 K561 T566 L567 E568 I590 Q594 | L560-E564 PolarHBondContact O-N 2.55Å; K561-E564 PolarHBondContact O-N 3.21Å; E564-T566 VanDerWaalsContact C-N 3.29Å; E564-T566 PolarHBondContact O-N 3.06Å; E564-L567 PolarHBondContact O-N 3.42Å; E564-L567 VanDerWaalsContact O-N 3.16Å; E564-E568 WeakPolarHBondContact O-CG 3.48Å; E564-E568 PolarHBondContact O-N 3.23Å; E564-I590 HydrophobicContact CB-CG2 4.43Å; E564-Q594 PolarHBondContact OE2-NE2 3.14Å |
| 565 | Q | 90.2 | Very high | 84.9 | Confident | 124 Ų | 124 | 60.8 Ų | 60.8 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.2 | -41.4 | 176.4 | -73.2 | 175.8 | -12.1 | 0 | 0 | 112.3 | K561 A562 L567 E568 T569 | K561-Q565 WeakPolarHBondContact O-CG 3.47Å; K561-Q565 PolarHBondContact O-N 3.32Å; A562-Q565 PolarHBondContact O-N 3.5Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.89Å; Q565-E568 PolarHBondContact O-N 2.77Å; Q565-T569 WeakPolarHBondContact O-CG2 3.43Å; Q565-T569 PolarHBondContact O-N 3.29Å; Q565-T569 PolarHBondContact O-OG1 3.45Å |
| 566 | T | 89 | Confident | 84.2 | Confident | 17 Ų | 17 | 66.2 Ų | 66.2 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.6 | -33.6 | -179.7 | 60 | 0 | 0 | 0 | 0 | 112.9 | Y547 L550 A551 A562 A563 E564 T569 G570 | Y547-T566 WeakPolarHBondContact CD1-O 3.49Å; L550-T566 HydrophobicContact CD2-CG2 3.74Å; L550-T566 HydrophobicContact CG-CG2 3.88Å; A551-T566 WeakPolarHBondContact CB-OG1 3.41Å; A562-T566 WeakPolarHBondContact O-CB 3.25Å; A562-T566 WeakPolarHBondContact O-CG2 3.28Å; A562-T566 PolarHBondContact O-N 2.97Å; A562-T566 PolarHBondContact O-OG1 2.85Å; A563-T566 PolarHBondContact O-N 3.12Å; A563-T566 PolarHBondContact O-OG1 3.47Å; E564-T566 VanDerWaalsContact C-N 3.29Å; E564-T566 PolarHBondContact O-N 3.06Å; T566-T569 WeakPolarHBondContact CA-OG1 3.47Å; T566-T569 PolarHBondContact O-OG1 3.14Å; T566-G570 PolarHBondContact O-N 3.37Å; T566-G570 VanDerWaalsContact O-N 3.11Å |
| 567 | L | 86.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 172.8 | -71.8 | -172.3 | 0 | 0 | 0 | 111.4 | A551 A563 E564 Q565 T569 G570 V571 Y583 V586 R587 I590 | A551-L567 HydrophobicContact CB-CD1 4.44Å; A551-L567 HydrophobicContact CB-CD2 3.47Å; A551-L567 VanDerWaalsContact CB-CD2 3.47Å; A551-L567 HydrophobicContact CB-CG 3.67Å; A563-L567 PolarHBondContact O-N 3.25Å; A563-L567 VanDerWaalsContact O-N 3.16Å; E564-L567 PolarHBondContact O-N 3.42Å; E564-L567 VanDerWaalsContact O-N 3.16Å; Q565-L567 VanDerWaalsContact C-N 3.33Å; Q565-L567 PolarHBondContact O-N 2.89Å; L567-T569 PolarHBondContact O-N 2.98Å; L567-G570 PolarHBondContact O-N 2.89Å; L567-V571 WeakPolarHBondContact O-CG2 3.36Å; L567-V571 PolarHBondContact O-N 3.13Å; L567-Y583 HydrophobicContact CB-CE2 3.93Å; L567-Y583 HydrophobicContact CD1-CE2 4.21Å; L567-Y583 HydrophobicContact CD2-CD2 3.75Å; L567-Y583 HydrophobicContact CD2-CE2 3.9Å; L567-Y583 HydrophobicContact CG-CE2 4.24Å; L567-V586 HydrophobicContact CD1-CG1 4.01Å; L567-V586 HydrophobicContact CD2-CG1 4.32Å; L567-R587 HydrophobicContact CD1-CB 4.13Å; L567-I590 HydrophobicContact CD1-CD1 3.45Å; L567-I590 VanDerWaalsContact CD1-CD1 3.45Å; L567-I590 HydrophobicContact CG-CD1 4.29Å |
| 568 | E | 86.7 | Confident | 82.9 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 176.2 | -70.7 | -176.8 | 158.8 | 0 | 0 | 111.9 | E564 Q565 G570 V571 G572 | E564-E568 WeakPolarHBondContact O-CG 3.48Å; E564-E568 PolarHBondContact O-N 3.23Å; Q565-E568 PolarHBondContact O-N 2.77Å; E568-G570 VanDerWaalsContact C-N 3.32Å; E568-G570 PolarHBondContact O-N 3.49Å; E568-V571 PolarHBondContact O-N 3.23Å; E568-G572 PolarHBondContact O-N 2.88Å |
| 569 | T | 87.2 | Confident | 82.4 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 174.6 | 53.4 | 0 | 0 | 0 | 0 | 112 | Q565 T566 L567 G572 N573 | Q565-T569 WeakPolarHBondContact O-CG2 3.43Å; Q565-T569 PolarHBondContact O-N 3.29Å; Q565-T569 PolarHBondContact O-OG1 3.45Å; T566-T569 WeakPolarHBondContact CA-OG1 3.47Å; T566-T569 PolarHBondContact O-OG1 3.14Å; L567-T569 PolarHBondContact O-N 2.98Å; T569-G572 PolarHBondContact O-N 2.95Å; T569-N573 PolarHBondContact O-N 3.43Å |
| 570 | G | 82.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y547 T566 L567 E568 G572 N573 N574 | Y547-G570 VanDerWaalsContact CG-CA 3.45Å; T566-G570 PolarHBondContact O-N 3.37Å; T566-G570 VanDerWaalsContact O-N 3.11Å; L567-G570 PolarHBondContact O-N 2.89Å; E568-G570 VanDerWaalsContact C-N 3.32Å; E568-G570 PolarHBondContact O-N 3.49Å; G570-G572 VanDerWaalsContact C-N 3.28Å; G570-G572 PolarHBondContact O-N 2.9Å; G570-N573 PolarHBondContact O-N 3.44Å; G570-N574 PolarHBondContact O-N 3.26Å |
| 571 | V | 83.8 | Confident | 81.3 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -33 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | L567 E568 N573 N574 V577 R578 Y583 | L567-V571 WeakPolarHBondContact O-CG2 3.36Å; L567-V571 PolarHBondContact O-N 3.13Å; E568-V571 PolarHBondContact O-N 3.23Å; V571-N573 VanDerWaalsContact C-N 3.31Å; V571-N574 CarbonylContact O-C 3.36Å; V571-V577 HydrophobicContact CG2-CB 4.35Å; V571-V577 HydrophobicContact CG2-CG1 4.12Å; V571-R578 HydrophobicContact CG1-CG 4.24Å; V571-R578 HydrophobicContact CG2-CG 4.33Å; V571-Y583 HydrophobicContact CG2-CE2 3.65Å; V571-Y583 VanDerWaalsContact CG2-OH 3.3Å; V571-Y583 WeakPolarHBondContact CG2-OH 3.42Å |
| 572 | G | 82.4 | Confident | 80.8 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | E568 T569 G570 | E568-G572 PolarHBondContact O-N 2.88Å; T569-G572 PolarHBondContact O-N 2.95Å; G570-G572 VanDerWaalsContact C-N 3.28Å; G570-G572 PolarHBondContact O-N 2.9Å |
| 573 | N | 79.7 | Confident | 80.6 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -89.3 | -34.1 | -178.9 | -68.1 | -22.9 | 0 | 0 | 0 | 113.2 | P541 Y547 T569 G570 V571 | P541-N573 WeakPolarHBondContact O-CB 3.22Å; P541-N573 PolarHBondContact O-ND2 3.31Å; P541-N573 VanDerWaalsContact O-ND2 3.11Å; Y547-N573 PolarHBondContact OH-ND2 3.48Å; T569-N573 PolarHBondContact O-N 3.43Å; G570-N573 PolarHBondContact O-N 3.44Å; V571-N573 VanDerWaalsContact C-N 3.31Å |
| 574 | N | 75.9 | Confident | 80.5 | Confident | 33 Ų | 33 | 54.3 Ų | 54.3 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | trans | -139.6 | 114.2 | 175.3 | -170.2 | -21.8 | 0 | 0 | 0 | 111.3 | L544 G570 V571 E576 V577 | L544-N574 HydrophobicContact CD1-CB 4.32Å; L544-N574 WeakPolarHBondContact CD1-ND2 3.42Å; L544-N574 HydrophobicContact CG-CB 4.34Å; G570-N574 PolarHBondContact O-N 3.26Å; V571-N574 CarbonylContact O-C 3.36Å; N574-E576 VanDerWaalsContact C-N 3.26Å; N574-E576 PolarHBondContact O-N 3.44Å; N574-E576 VanDerWaalsContact OD1-CB 3.24Å; N574-E576 WeakPolarHBondContact OD1-CB 3.49Å; N574-E576 WeakPolarHBondContact OD1-CG 3.44Å; N574-E576 PolarHBondContact OD1-N 3.32Å; N574-V577 HydrophobicContact CB-CG2 3.99Å; N574-V577 VanDerWaalsContact O-CB 3.3Å; N574-V577 WeakPolarHBondContact O-CB 3.32Å; N574-V577 WeakPolarHBondContact O-CG2 3.47Å; N574-V577 PolarHBondContact O-N 3.01Å | ||
| 575 | F | 77.6 | Confident | 80.3 | Confident | 147 Ų | 147 | 52 Ų | 52 | 65% | 0.645 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -69.7 | -22 | -179.4 | -62.9 | -77.6 | 0 | 0 | 0 | 113.4 | V577 R578 | F575-V577 PolarHBondContact O-N 3.06Å; F575-R578 PolarHBondContact O-N 3.41Å |
| 576 | E | 70.4 | Confident | 80.1 | Confident | 137 Ų | 137 | 46.1 Ų | 46.1 | 64% | 0.64 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -66.3 | -19.1 | 178.4 | -59.1 | -174.9 | 160.4 | 0 | 0 | 112.3 | N574 R578 N579 | N574-E576 VanDerWaalsContact C-N 3.26Å; N574-E576 PolarHBondContact O-N 3.44Å; N574-E576 VanDerWaalsContact OD1-CB 3.24Å; N574-E576 WeakPolarHBondContact OD1-CB 3.49Å; N574-E576 WeakPolarHBondContact OD1-CG 3.44Å; N574-E576 PolarHBondContact OD1-N 3.32Å; E576-R578 PolarHBondContact O-N 3.09Å; E576-R578 VanDerWaalsContact O-N 3.09Å; E576-N579 PolarHBondContact O-N 3.06Å |
| 577 | V | 69.8 | Low | 80 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -50.7 | -36.4 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | L544 V571 N574 F575 N579 H580 Y583 | L544-V577 HydrophobicContact CB-CG2 4.2Å; L544-V577 VanDerWaalsContact CD2-CA 3.41Å; L544-V577 HydrophobicContact CD2-CB 3.77Å; L544-V577 HydrophobicContact CD2-CG1 4.43Å; L544-V577 HydrophobicContact CD2-CG2 3.17Å; L544-V577 HydrophobicContact CG-CB 4.49Å; L544-V577 HydrophobicContact CG-CG2 3.41Å; L544-V577 VanDerWaalsContact CG-CG2 3.41Å; V571-V577 HydrophobicContact CG2-CB 4.35Å; V571-V577 HydrophobicContact CG2-CG1 4.12Å; N574-V577 HydrophobicContact CB-CG2 3.99Å; N574-V577 VanDerWaalsContact O-CB 3.3Å; N574-V577 WeakPolarHBondContact O-CB 3.32Å; N574-V577 WeakPolarHBondContact O-CG2 3.47Å; N574-V577 PolarHBondContact O-N 3.01Å; F575-V577 PolarHBondContact O-N 3.06Å; V577-N579 PolarHBondContact O-N 3.12Å; V577-N579 VanDerWaalsContact O-N 3.16Å; V577-H580 WeakPolarHBondContact O-CB 3.3Å; V577-H580 PolarHBondContact O-N 3.19Å; V577-Y583 HydrophobicContact CG1-CD1 4.25Å; V577-Y583 HydrophobicContact CG1-CD2 3.15Å; V577-Y583 HydrophobicContact CG1-CE2 3.6Å; V577-Y583 HydrophobicContact CG1-CG 3.52Å; V577-Y583 VanDerWaalsContact O-CB 3.32Å; V577-Y583 WeakPolarHBondContact O-CB 3.4Å; V577-Y583 VanDerWaalsContact O-CD1 3.26Å; V577-Y583 WeakPolarHBondContact O-CD1 3.5Å; V577-Y583 VanDerWaalsContact O-CG 3.3Å |
| 578 | R | 72 | Confident | 80 | Confident | 133 Ų | 133 | 49.2 Ų | 49.2 | 50% | 0.502 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -61.9 | -25.1 | -179.8 | -65.2 | -177.7 | -179.1 | 179.1 | 1.7 | 112.8 | V571 F575 E576 Q584 | V571-R578 HydrophobicContact CG1-CG 4.24Å; V571-R578 HydrophobicContact CG2-CG 4.33Å; F575-R578 PolarHBondContact O-N 3.41Å; E576-R578 PolarHBondContact O-N 3.09Å; E576-R578 VanDerWaalsContact O-N 3.09Å; R578-Q584 PolarHBondContact O-NE2 3.37Å |
| 579 | N | 72.2 | Confident | 79.9 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -92 | -8.7 | 179.4 | -63.5 | -25.3 | 0 | 0 | 0 | 112.4 | E576 V577 P581 | E576-N579 PolarHBondContact O-N 3.06Å; V577-N579 PolarHBondContact O-N 3.12Å; V577-N579 VanDerWaalsContact O-N 3.16Å; N579-P581 WeakPolarHBondContact O-CD 3.45Å |
| 580 | H | 73.8 | Confident | 79.9 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -73.9 | 125.1 | -175.7 | -163 | -86.5 | 0 | 0 | 0 | 111.5 | V577 L582 Y583 Q584 | V577-H580 WeakPolarHBondContact O-CB 3.3Å; V577-H580 PolarHBondContact O-N 3.19Å; H580-L582 VanDerWaalsContact C-N 3.34Å; H580-L582 PolarHBondContact ND1-N 2.83Å; H580-L582 PolarHBondContact O-N 2.86Å; H580-Y583 WeakPolarHBondContact O-CB 3.35Å; H580-Y583 PolarHBondContact O-N 2.88Å; H580-Y583 VanDerWaalsContact O-N 3.08Å; H580-Q584 PolarHBondContact O-N 2.9Å; H580-Q584 VanDerWaalsContact O-N 3.11Å | ||
| 581 | P | 76.2 | Confident | 80.2 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -35.2 | -174.8 | -32.3 | 43.9 | 0 | 0 | 0 | 114.4 | N579 Q584 L585 L611 I630 L638 | N579-P581 WeakPolarHBondContact O-CD 3.45Å; P581-Q584 PolarHBondContact O-N 2.93Å; P581-L585 PolarHBondContact O-N 2.86Å; P581-L611 HydrophobicContact CG-CG 4.44Å; P581-I630 HydrophobicContact CB-CD1 3.7Å; P581-I630 HydrophobicContact CB-CG1 4.21Å; P581-I630 HydrophobicContact CG-CD1 3.5Å; P581-I630 VanDerWaalsContact CG-CD1 3.5Å; P581-I630 HydrophobicContact CG-CG1 4.32Å; P581-L638 HydrophobicContact CB-CD1 4.19Å |
| 582 | L | 76.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -34.8 | 174.5 | -59.6 | -178.2 | 0 | 0 | 0 | 112.7 | I548 H580 L585 V586 D634 | I548-L582 HydrophobicContact CD1-CB 4.32Å; I548-L582 HydrophobicContact CG2-CB 3.9Å; H580-L582 VanDerWaalsContact C-N 3.34Å; H580-L582 PolarHBondContact ND1-N 2.83Å; H580-L582 PolarHBondContact O-N 2.86Å; L582-L585 PolarHBondContact O-N 3.06Å; L582-V586 VanDerWaalsContact O-CG2 3.28Å; L582-V586 WeakPolarHBondContact O-CG2 3.42Å; L582-V586 PolarHBondContact O-N 3.26Å; L582-D634 HydrophobicContact CD2-CB 3.66Å; L582-D634 VanDerWaalsContact CD2-CG 3.47Å |
| 583 | Y | 84.4 | Confident | 80.3 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 174.9 | 166.9 | -93.6 | 0 | 0 | 0 | 110.1 | L567 V571 V577 H580 L585 V586 R587 | L567-Y583 HydrophobicContact CB-CE2 3.93Å; L567-Y583 HydrophobicContact CD1-CE2 4.21Å; L567-Y583 HydrophobicContact CD2-CD2 3.75Å; L567-Y583 HydrophobicContact CD2-CE2 3.9Å; L567-Y583 HydrophobicContact CG-CE2 4.24Å; V571-Y583 HydrophobicContact CG2-CE2 3.65Å; V571-Y583 VanDerWaalsContact CG2-OH 3.3Å; V571-Y583 WeakPolarHBondContact CG2-OH 3.42Å; V577-Y583 HydrophobicContact CG1-CD1 4.25Å; V577-Y583 HydrophobicContact CG1-CD2 3.15Å; V577-Y583 HydrophobicContact CG1-CE2 3.6Å; V577-Y583 HydrophobicContact CG1-CG 3.52Å; V577-Y583 VanDerWaalsContact O-CB 3.32Å; V577-Y583 WeakPolarHBondContact O-CB 3.4Å; V577-Y583 VanDerWaalsContact O-CD1 3.26Å; V577-Y583 WeakPolarHBondContact O-CD1 3.5Å; V577-Y583 VanDerWaalsContact O-CG 3.3Å; H580-Y583 WeakPolarHBondContact O-CB 3.35Å; H580-Y583 PolarHBondContact O-N 2.88Å; H580-Y583 VanDerWaalsContact O-N 3.08Å; Y583-L585 VanDerWaalsContact C-N 3.32Å; Y583-L585 PolarHBondContact O-N 3.47Å; Y583-V586 PolarHBondContact O-N 3.47Å; Y583-R587 VanDerWaalsContact O-CB 3.27Å; Y583-R587 WeakPolarHBondContact O-CB 3.27Å; Y583-R587 PolarHBondContact O-N 3.17Å |
| 584 | Q | 85.5 | Confident | 80.6 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 178.4 | -65.7 | -65.9 | 13.3 | 0 | 0 | 112.3 | R578 H580 P581 A588 I603 A607 | R578-Q584 PolarHBondContact O-NE2 3.37Å; H580-Q584 PolarHBondContact O-N 2.9Å; H580-Q584 VanDerWaalsContact O-N 3.11Å; P581-Q584 PolarHBondContact O-N 2.93Å; Q584-A588 WeakPolarHBondContact O-CB 3.45Å; Q584-A588 PolarHBondContact O-N 3.41Å; Q584-I603 HydrophobicContact CB-CG2 3.75Å; Q584-I603 HydrophobicContact CG-CG2 4.3Å; Q584-I603 WeakPolarHBondContact O-CG2 3.42Å; Q584-A607 HydrophobicContact CB-CB 3.81Å; Q584-A607 HydrophobicContact CG-CB 4.39Å |
| 585 | L | 84.4 | Confident | 80.8 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 6% | 0.058 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 171.8 | -177.5 | 140.7 | 0 | 0 | 0 | 111.9 | P581 L582 Y583 R587 A588 R589 S637 L638 | P581-L585 PolarHBondContact O-N 2.86Å; L582-L585 PolarHBondContact O-N 3.06Å; Y583-L585 VanDerWaalsContact C-N 3.32Å; Y583-L585 PolarHBondContact O-N 3.47Å; L585-R587 VanDerWaalsContact C-N 3.34Å; L585-R587 PolarHBondContact O-N 3.05Å; L585-A588 PolarHBondContact O-N 3.32Å; L585-R589 PolarHBondContact O-N 3.36Å; L585-S637 WeakPolarHBondContact CD1-OG 3.48Å; L585-L638 HydrophobicContact CB-CD2 3.66Å; L585-L638 HydrophobicContact CB-CG 4.4Å; L585-L638 HydrophobicContact CD1-CD2 3.86Å; L585-L638 HydrophobicContact CD1-CG 3.82Å; L585-L638 HydrophobicContact CG-CD2 4.18Å |
| 586 | V | 85 | Confident | 81.3 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | -177.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | I548 A551 K552 L555 L567 L582 Y583 R589 I590 | I548-V586 HydrophobicContact CG2-CG2 4.13Å; A551-V586 HydrophobicContact CB-CG1 3.67Å; K552-V586 HydrophobicContact CD-CG2 4.26Å; K552-V586 HydrophobicContact CG-CG2 3.52Å; L555-V586 HydrophobicContact CD1-CG1 3.64Å; L567-V586 HydrophobicContact CD1-CG1 4.01Å; L567-V586 HydrophobicContact CD2-CG1 4.32Å; L582-V586 VanDerWaalsContact O-CG2 3.28Å; L582-V586 WeakPolarHBondContact O-CG2 3.42Å; L582-V586 PolarHBondContact O-N 3.26Å; Y583-V586 PolarHBondContact O-N 3.47Å; V586-R589 PolarHBondContact O-N 3.4Å; V586-I590 HydrophobicContact CG1-CD1 4.22Å; V586-I590 WeakPolarHBondContact O-CG1 3.36Å; V586-I590 PolarHBondContact O-N 3.39Å |
| 587 | R | 87.6 | Confident | 81.9 | Confident | 87 Ų | 87 | 40.8 Ų | 40.8 | 33% | 0.328 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -44 | 175.9 | -171.2 | -178.4 | 179.5 | -156.4 | 0.5 | 112.2 | L567 Y583 L585 R589 I590 M591 I603 | L567-R587 HydrophobicContact CD1-CB 4.13Å; Y583-R587 VanDerWaalsContact O-CB 3.27Å; Y583-R587 WeakPolarHBondContact O-CB 3.27Å; Y583-R587 PolarHBondContact O-N 3.17Å; L585-R587 VanDerWaalsContact C-N 3.34Å; L585-R587 PolarHBondContact O-N 3.05Å; R587-R589 VanDerWaalsContact C-N 3.29Å; R587-R589 PolarHBondContact O-N 3.36Å; R587-I590 PolarHBondContact O-N 2.87Å; R587-M591 VanDerWaalsContact O-CG 3.22Å; R587-M591 WeakPolarHBondContact O-CG 3.47Å; R587-M591 PolarHBondContact O-N 3.41Å; R587-I603 HydrophobicContact CG-CD1 4.06Å |
| 588 | A | 86.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q584 L585 M591 S592 S600 I603 L604 | Q584-A588 WeakPolarHBondContact O-CB 3.45Å; Q584-A588 PolarHBondContact O-N 3.41Å; L585-A588 PolarHBondContact O-N 3.32Å; A588-M591 PolarHBondContact O-N 2.77Å; A588-S592 WeakPolarHBondContact O-CB 3.46Å; A588-S592 PolarHBondContact O-N 3.27Å; A588-S600 WeakPolarHBondContact CB-OG 3.45Å; A588-S600 WeakPolarHBondContact O-CB 2.98Å; A588-S600 PolarHBondContact O-OG 3.33Å; A588-S600 VanDerWaalsContact O-OG 3.04Å; A588-I603 HydrophobicContact CB-CB 4.37Å; A588-I603 HydrophobicContact CB-CG2 3.98Å; A588-L604 HydrophobicContact CB-CD1 3.87Å; A588-L604 HydrophobicContact CB-CD2 3.65Å; A588-L604 HydrophobicContact CB-CG 3.49Å; A588-L604 VanDerWaalsContact CB-CG 3.49Å |
| 589 | R | 85.4 | Confident | 83.7 | Confident | 93 Ų | 93 | 45 Ų | 45 | 35% | 0.351 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 176.1 | -167.2 | 167.5 | -179.3 | 160.3 | -3.6 | 112.8 | L555 L585 V586 R587 M591 S592 E593 E641 | L555-R589 HydrophobicContact CD1-CB 4.13Å; L555-R589 HydrophobicContact CD1-CG 4.22Å; L585-R589 PolarHBondContact O-N 3.36Å; V586-R589 PolarHBondContact O-N 3.4Å; R587-R589 VanDerWaalsContact C-N 3.29Å; R587-R589 PolarHBondContact O-N 3.36Å; R589-M591 VanDerWaalsContact C-N 3.33Å; R589-M591 PolarHBondContact O-N 3.2Å; R589-S592 WeakPolarHBondContact O-CB 3.45Å; R589-S592 PolarHBondContact O-N 3.21Å; R589-E593 WeakPolarHBondContact O-CG 3.48Å; R589-E593 PolarHBondContact O-N 2.78Å; R589-E641 IonicContact CZ-OE1 2.91Å; R589-E641 IonicContact NE-OE1 2.73Å; R589-E641 IonicContact NH1-OE1 3.85Å; R589-E641 PolarHBondContact NH1-OE1 3.25Å; R589-E641 VanDerWaalsContact NH1-OE1 3.15Å |
| 590 | I | 86.8 | Confident | 84.4 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 172.5 | -67.1 | 164.2 | 0 | 0 | 0 | 110.4 | L555 A563 E564 L567 V586 R587 S592 E593 Q594 | L555-I590 HydrophobicContact CD1-CG1 3.92Å; L555-I590 HydrophobicContact CD2-CB 4.37Å; L555-I590 HydrophobicContact CD2-CD1 4.5Å; L555-I590 HydrophobicContact CD2-CG1 3.42Å; L555-I590 VanDerWaalsContact CD2-CG1 3.42Å; L555-I590 HydrophobicContact CG-CG1 3.84Å; A563-I590 HydrophobicContact CB-CD1 3.84Å; A563-I590 HydrophobicContact CB-CG1 4.2Å; E564-I590 HydrophobicContact CB-CG2 4.43Å; L567-I590 HydrophobicContact CD1-CD1 3.45Å; L567-I590 VanDerWaalsContact CD1-CD1 3.45Å; L567-I590 HydrophobicContact CG-CD1 4.29Å; V586-I590 HydrophobicContact CG1-CD1 4.22Å; V586-I590 WeakPolarHBondContact O-CG1 3.36Å; V586-I590 PolarHBondContact O-N 3.39Å; R587-I590 PolarHBondContact O-N 2.87Å; I590-S592 VanDerWaalsContact C-N 3.32Å; I590-S592 PolarHBondContact O-N 2.76Å; I590-E593 PolarHBondContact O-N 3.37Å; I590-Q594 HydrophobicContact CG2-CG 4.46Å; I590-Q594 WeakPolarHBondContact O-CB 3.33Å; I590-Q594 VanDerWaalsContact O-CG 3.32Å; I590-Q594 WeakPolarHBondContact O-CG 2.98Å; I590-Q594 PolarHBondContact O-N 3.03Å |
| 591 | M | 88.5 | Confident | 85.1 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -34.6 | -179.6 | -66.4 | -72.9 | 145.6 | 0 | 0 | 112.4 | R587 A588 R589 G595 S596 I599 I603 | R587-M591 VanDerWaalsContact O-CG 3.22Å; R587-M591 WeakPolarHBondContact O-CG 3.47Å; R587-M591 PolarHBondContact O-N 3.41Å; A588-M591 PolarHBondContact O-N 2.77Å; R589-M591 VanDerWaalsContact C-N 3.33Å; R589-M591 PolarHBondContact O-N 3.2Å; M591-G595 PolarHBondContact O-N 2.93Å; M591-S596 CarbonylContact O-C 3.5Å; M591-S596 WeakPolarHBondContact O-CA 3.41Å; M591-S596 WeakPolarHBondContact O-CB 3.49Å; M591-S596 PolarHBondContact O-N 2.93Å; M591-I599 HydrophobicContact CG-CG2 4.26Å; M591-I599 HydrophobicContact SD-CG2 4.31Å; M591-I603 HydrophobicContact CG-CD1 4.39Å |
| 592 | S | 85 | Confident | 85.8 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 175.3 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | A588 R589 I590 Q594 G595 | A588-S592 WeakPolarHBondContact O-CB 3.46Å; A588-S592 PolarHBondContact O-N 3.27Å; R589-S592 WeakPolarHBondContact O-CB 3.45Å; R589-S592 PolarHBondContact O-N 3.21Å; I590-S592 VanDerWaalsContact C-N 3.32Å; I590-S592 PolarHBondContact O-N 2.76Å; S592-Q594 VanDerWaalsContact C-N 3.33Å; S592-Q594 PolarHBondContact O-N 3.48Å; S592-G595 PolarHBondContact O-N 3.48Å |
| 593 | E | 83 | Confident | 86.3 | Confident | 125 Ų | 125 | 46.6 Ų | 46.6 | 58% | 0.584 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.6 | -30.3 | 177.6 | -67.4 | -69.8 | 165 | 0 | 0 | 113 | L560 R589 I590 G595 | L560-E593 HydrophobicContact CD1-CB 4.09Å; L560-E593 HydrophobicContact CD2-CB 3.84Å; L560-E593 HydrophobicContact CD2-CG 4.35Å; R589-E593 WeakPolarHBondContact O-CG 3.48Å; R589-E593 PolarHBondContact O-N 2.78Å; I590-E593 PolarHBondContact O-N 3.37Å; E593-G595 PolarHBondContact O-N 3.07Å |
| 594 | Q | 85.5 | Confident | 86.4 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.5 | 171.7 | -72.1 | 176.8 | -10.1 | 0 | 0 | 113.5 | L560 E564 I590 S592 | L560-Q594 HydrophobicContact CD1-CG 4.4Å; E564-Q594 PolarHBondContact OE2-NE2 3.14Å; I590-Q594 HydrophobicContact CG2-CG 4.46Å; I590-Q594 WeakPolarHBondContact O-CB 3.33Å; I590-Q594 VanDerWaalsContact O-CG 3.32Å; I590-Q594 WeakPolarHBondContact O-CG 2.98Å; I590-Q594 PolarHBondContact O-N 3.03Å; S592-Q594 VanDerWaalsContact C-N 3.33Å; S592-Q594 PolarHBondContact O-N 3.48Å |
| 595 | G | 81.2 | Confident | 86.5 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 68% | 0.68 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 7.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M591 S592 E593 A597 | M591-G595 PolarHBondContact O-N 2.93Å; S592-G595 PolarHBondContact O-N 3.48Å; E593-G595 PolarHBondContact O-N 3.07Å; G595-A597 PolarHBondContact O-N 3.28Å |
| 596 | S | 86.6 | Confident | 86.6 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | trans | -97.9 | 53.6 | -179 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | M591 K598 I599 S600 | M591-S596 CarbonylContact O-C 3.5Å; M591-S596 WeakPolarHBondContact O-CA 3.41Å; M591-S596 WeakPolarHBondContact O-CB 3.49Å; M591-S596 PolarHBondContact O-N 2.93Å; S596-K598 PolarHBondContact O-N 3.48Å; S596-K598 VanDerWaalsContact O-N 3.12Å; S596-I599 PolarHBondContact O-N 3.31Å; S596-S600 PolarHBondContact O-N 2.86Å | ||
| 597 | A | 84.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.5 | -31 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G595 I599 S600 V601 T648 L649 | G595-A597 PolarHBondContact O-N 3.28Å; A597-I599 VanDerWaalsContact C-N 3.33Å; A597-I599 PolarHBondContact O-N 3.48Å; A597-S600 WeakPolarHBondContact O-CB 3.33Å; A597-S600 PolarHBondContact O-N 3.29Å; A597-V601 PolarHBondContact O-N 3.05Å; A597-T648 VanDerWaalsContact CB-OG1 3.31Å; A597-T648 WeakPolarHBondContact CB-OG1 3.5Å; A597-L649 HydrophobicContact CB-CD2 3.8Å; A597-L649 HydrophobicContact CB-CG 3.86Å |
| 598 | K | 89.3 | Confident | 86.2 | Confident | 154 Ų | 154 | 51.8 Ų | 51.8 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 176.3 | -67.9 | -173.6 | 178.1 | 177.3 | 0 | 112.5 | S596 Q602 L649 | S596-K598 PolarHBondContact O-N 3.48Å; S596-K598 VanDerWaalsContact O-N 3.12Å; K598-Q602 WeakPolarHBondContact O-CG 3.27Å; K598-Q602 PolarHBondContact O-N 2.67Å; K598-L649 HydrophobicContact CB-CD2 4.43Å; K598-L649 HydrophobicContact CG-CD1 4.32Å; K598-L649 HydrophobicContact CG-CD2 3.46Å; K598-L649 VanDerWaalsContact CG-CD2 3.46Å |
| 599 | I | 88.9 | Confident | 85.9 | Confident | 70 Ų | 70 | 54.4 Ų | 54.4 | 36% | 0.359 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 178.6 | -58.9 | 178.4 | 0 | 0 | 0 | 109.3 | M591 S596 A597 V601 Q602 I603 | M591-I599 HydrophobicContact CG-CG2 4.26Å; M591-I599 HydrophobicContact SD-CG2 4.31Å; S596-I599 PolarHBondContact O-N 3.31Å; A597-I599 VanDerWaalsContact C-N 3.33Å; A597-I599 PolarHBondContact O-N 3.48Å; I599-V601 PolarHBondContact O-N 2.89Å; I599-Q602 PolarHBondContact O-N 3.22Å; I599-I603 HydrophobicContact CG2-CD1 3.79Å; I599-I603 HydrophobicContact CG2-CG1 4.38Å; I599-I603 WeakPolarHBondContact O-CG1 3.33Å; I599-I603 PolarHBondContact O-N 3.11Å |
| 600 | S | 87.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | A588 S596 A597 Q602 I603 L604 | A588-S600 WeakPolarHBondContact CB-OG 3.45Å; A588-S600 WeakPolarHBondContact O-CB 2.98Å; A588-S600 PolarHBondContact O-OG 3.33Å; A588-S600 VanDerWaalsContact O-OG 3.04Å; S596-S600 PolarHBondContact O-N 2.86Å; A597-S600 WeakPolarHBondContact O-CB 3.33Å; A597-S600 PolarHBondContact O-N 3.29Å; S600-Q602 PolarHBondContact O-N 2.75Å; S600-I603 PolarHBondContact O-N 2.99Å; S600-L604 WeakPolarHBondContact O-CB 2.99Å; S600-L604 VanDerWaalsContact O-CG 3.3Å; S600-L604 WeakPolarHBondContact O-CG 3.46Å; S600-L604 PolarHBondContact O-N 3.46Å |
| 601 | V | 89.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | A597 I599 I603 L604 K605 L642 A645 H646 L649 | A597-V601 PolarHBondContact O-N 3.05Å; I599-V601 PolarHBondContact O-N 2.89Å; V601-I603 PolarHBondContact O-N 2.89Å; V601-L604 PolarHBondContact O-N 3.06Å; V601-K605 HydrophobicContact CG1-CD 3.97Å; V601-K605 HydrophobicContact CG1-CG 4.3Å; V601-K605 WeakPolarHBondContact O-CB 3.48Å; V601-K605 WeakPolarHBondContact O-CG 3.31Å; V601-K605 PolarHBondContact O-N 3.4Å; V601-L642 HydrophobicContact CG1-CD1 4.19Å; V601-L642 HydrophobicContact CG2-CD1 4.45Å; V601-A645 HydrophobicContact CG2-CB 3.55Å; V601-H646 VanDerWaalsContact CG1-CE1 3.48Å; V601-H646 WeakPolarHBondContact CG1-CE1 3.43Å; V601-L649 HydrophobicContact CB-CD1 4.28Å; V601-L649 HydrophobicContact CG2-CD1 3.54Å |
| 602 | Q | 89.3 | Confident | 83.6 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 177.9 | -72.4 | 175.9 | -8.3 | 0 | 0 | 111.6 | K598 I599 S600 Q606 | K598-Q602 WeakPolarHBondContact O-CG 3.27Å; K598-Q602 PolarHBondContact O-N 2.67Å; I599-Q602 PolarHBondContact O-N 3.22Å; S600-Q602 PolarHBondContact O-N 2.75Å; Q602-Q606 WeakPolarHBondContact O-CB 3.23Å; Q602-Q606 VanDerWaalsContact O-CG 3.24Å; Q602-Q606 WeakPolarHBondContact O-CG 3.14Å; Q602-Q606 PolarHBondContact O-N 3.02Å; Q602-Q606 VanDerWaalsContact O-N 3.1Å |
| 603 | I | 87.7 | Confident | 82.2 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 178.4 | -71.4 | 169.6 | 0 | 0 | 0 | 111.1 | Q584 R587 A588 M591 I599 S600 V601 Q606 A607 | Q584-I603 HydrophobicContact CB-CG2 3.75Å; Q584-I603 HydrophobicContact CG-CG2 4.3Å; Q584-I603 WeakPolarHBondContact O-CG2 3.42Å; R587-I603 HydrophobicContact CG-CD1 4.06Å; A588-I603 HydrophobicContact CB-CB 4.37Å; A588-I603 HydrophobicContact CB-CG2 3.98Å; M591-I603 HydrophobicContact CG-CD1 4.39Å; I599-I603 HydrophobicContact CG2-CD1 3.79Å; I599-I603 HydrophobicContact CG2-CG1 4.38Å; I599-I603 WeakPolarHBondContact O-CG1 3.33Å; I599-I603 PolarHBondContact O-N 3.11Å; S600-I603 PolarHBondContact O-N 2.99Å; V601-I603 PolarHBondContact O-N 2.89Å; I603-Q606 WeakPolarHBondContact O-CB 3.36Å; I603-Q606 PolarHBondContact O-N 3.4Å; I603-A607 WeakPolarHBondContact O-CB 3.47Å; I603-A607 PolarHBondContact O-N 3.1Å |
| 604 | L | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.4 | -39.4 | -176.6 | -70.5 | 167.9 | 0 | 0 | 0 | 112.3 | A588 S600 V601 Q606 A607 I608 L638 E641 L642 A645 | A588-L604 HydrophobicContact CB-CD1 3.87Å; A588-L604 HydrophobicContact CB-CD2 3.65Å; A588-L604 HydrophobicContact CB-CG 3.49Å; A588-L604 VanDerWaalsContact CB-CG 3.49Å; S600-L604 WeakPolarHBondContact O-CB 2.99Å; S600-L604 VanDerWaalsContact O-CG 3.3Å; S600-L604 WeakPolarHBondContact O-CG 3.46Å; S600-L604 PolarHBondContact O-N 3.46Å; V601-L604 PolarHBondContact O-N 3.06Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; L604-Q606 PolarHBondContact O-N 2.75Å; L604-A607 PolarHBondContact O-N 3.03Å; L604-I608 WeakPolarHBondContact O-CG1 3.49Å; L604-I608 PolarHBondContact O-N 2.98Å; L604-L638 HydrophobicContact CD2-CD2 3.6Å; L604-E641 HydrophobicContact CD1-CB 4.12Å; L604-L642 HydrophobicContact CB-CB 4.1Å; L604-L642 HydrophobicContact CB-CD1 3.8Å; L604-L642 HydrophobicContact CB-CG 4.44Å; L604-L642 HydrophobicContact CD1-CB 4.11Å; L604-L642 HydrophobicContact CD1-CD1 4.46Å; L604-A645 HydrophobicContact CD1-CB 4.37Å |
| 605 | K | 87.3 | Confident | 79 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 172.5 | -75.9 | -174.4 | 176.1 | -173.8 | 0 | 111.5 | V601 A609 L642 H646 | V601-K605 HydrophobicContact CG1-CD 3.97Å; V601-K605 HydrophobicContact CG1-CG 4.3Å; V601-K605 WeakPolarHBondContact O-CB 3.48Å; V601-K605 WeakPolarHBondContact O-CG 3.31Å; V601-K605 PolarHBondContact O-N 3.4Å; K605-A609 WeakPolarHBondContact O-CB 3.4Å; K605-A609 PolarHBondContact O-N 3.28Å; K605-L642 HydrophobicContact CG-CD1 4Å; K605-L642 HydrophobicContact CG-CD2 4.34Å; K605-H646 WeakPolarHBondContact CE-NE2 3.43Å; K605-H646 PolarHBondContact NZ-CE1 2.7Å |
| 606 | Q | 85.4 | Confident | 77.1 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.1 | -73.4 | 173.5 | 0.7 | 0 | 0 | 111.7 | Q602 I603 L604 A609 N610 | Q602-Q606 WeakPolarHBondContact O-CB 3.23Å; Q602-Q606 VanDerWaalsContact O-CG 3.24Å; Q602-Q606 WeakPolarHBondContact O-CG 3.14Å; Q602-Q606 PolarHBondContact O-N 3.02Å; Q602-Q606 VanDerWaalsContact O-N 3.1Å; I603-Q606 WeakPolarHBondContact O-CB 3.36Å; I603-Q606 PolarHBondContact O-N 3.4Å; L604-Q606 VanDerWaalsContact C-N 3.32Å; L604-Q606 PolarHBondContact O-N 2.75Å; Q606-A609 PolarHBondContact O-N 3.31Å; Q606-N610 WeakPolarHBondContact O-CB 3.26Å; Q606-N610 PolarHBondContact O-N 2.98Å; Q606-N610 PolarHBondContact O-ND2 2.69Å |
| 607 | A | 82.4 | Confident | 74.9 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q584 I603 L604 N610 L611 L638 | Q584-A607 HydrophobicContact CB-CB 3.81Å; Q584-A607 HydrophobicContact CG-CB 4.39Å; I603-A607 WeakPolarHBondContact O-CB 3.47Å; I603-A607 PolarHBondContact O-N 3.1Å; L604-A607 PolarHBondContact O-N 3.03Å; A607-N610 PolarHBondContact O-N 3.03Å; A607-L611 PolarHBondContact O-N 3.33Å; A607-L638 HydrophobicContact CB-CD2 4.22Å |
| 608 | I | 82.2 | Confident | 72.6 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 178.2 | -69.2 | 160.6 | 0 | 0 | 0 | 111.7 | L604 N610 L611 L638 Y639 L642 | L604-I608 WeakPolarHBondContact O-CG1 3.49Å; L604-I608 PolarHBondContact O-N 2.98Å; I608-N610 VanDerWaalsContact C-N 3.33Å; I608-L611 HydrophobicContact CG1-CD1 4.4Å; I608-L611 WeakPolarHBondContact O-CB 3.33Å; I608-L611 PolarHBondContact O-N 3.5Å; I608-L638 HydrophobicContact CD1-CB 4.44Å; I608-L638 HydrophobicContact CG1-CB 4.27Å; I608-Y639 HydrophobicContact CG2-CE1 4.49Å; I608-L642 HydrophobicContact CD1-CB 4.26Å; I608-L642 HydrophobicContact CD1-CD2 3.49Å; I608-L642 VanDerWaalsContact CD1-CD2 3.49Å; I608-L642 HydrophobicContact CD1-CG 4.46Å |
| 609 | A | 81.3 | Confident | 70.1 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | K605 Q606 S612 | K605-A609 WeakPolarHBondContact O-CB 3.4Å; K605-A609 PolarHBondContact O-N 3.28Å; Q606-A609 PolarHBondContact O-N 3.31Å; A609-S612 PolarHBondContact O-OG 2.96Å |
| 610 | N | 76.6 | Confident | 67.6 | Low | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.2 | -31.5 | 177.5 | -70.4 | -14.4 | 0 | 0 | 0 | 112.3 | Q606 A607 I608 S612 N613 Y614 | Q606-N610 WeakPolarHBondContact O-CB 3.26Å; Q606-N610 PolarHBondContact O-N 2.98Å; Q606-N610 PolarHBondContact O-ND2 2.69Å; A607-N610 PolarHBondContact O-N 3.03Å; I608-N610 VanDerWaalsContact C-N 3.33Å; N610-S612 VanDerWaalsContact C-N 3.28Å; N610-S612 PolarHBondContact O-N 2.97Å; N610-N613 WeakPolarHBondContact O-CB 3.36Å; N610-N613 PolarHBondContact O-N 3.23Å; N610-Y614 WeakPolarHBondContact O-CD2 3.45Å; N610-Y614 PolarHBondContact O-N 3.37Å |
| 611 | L | 71.4 | Confident | 65.1 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54.7 | -37.3 | 178 | -103.7 | 147.5 | 0 | 0 | 0 | 113.8 | P581 A607 I608 N613 Y614 S615 I630 K635 L638 | P581-L611 HydrophobicContact CG-CG 4.44Å; A607-L611 PolarHBondContact O-N 3.33Å; I608-L611 HydrophobicContact CG1-CD1 4.4Å; I608-L611 WeakPolarHBondContact O-CB 3.33Å; I608-L611 PolarHBondContact O-N 3.5Å; L611-N613 VanDerWaalsContact C-N 3.29Å; L611-N613 PolarHBondContact O-N 3.39Å; L611-Y614 PolarHBondContact O-N 3.46Å; L611-S615 PolarHBondContact O-N 3.38Å; L611-I630 HydrophobicContact CD2-CD1 3.29Å; L611-I630 HydrophobicContact CD2-CG1 4.46Å; L611-I630 HydrophobicContact CD2-CG2 4.34Å; L611-I630 HydrophobicContact CG-CD1 3.85Å; L611-K635 HydrophobicContact CD2-CD 4.37Å; L611-K635 HydrophobicContact CD2-CG 4.21Å; L611-L638 HydrophobicContact CD1-CD1 3.37Å |
| 612 | S | 63.2 | Low | 62.7 | Low | 66 Ų | 66 | 74.2 Ų | 74.2 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 112 | A609 N610 S615 | A609-S612 PolarHBondContact O-OG 2.96Å; N610-S612 VanDerWaalsContact C-N 3.28Å; N610-S612 PolarHBondContact O-N 2.97Å; S612-S615 PolarHBondContact O-OG 2.97Å |
| 613 | N | 56.8 | Low | 60.6 | Low | 111 Ų | 111 | 69.2 Ų | 69.2 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -74.4 | -33.9 | 177.4 | -63 | -12.4 | 0 | 0 | 0 | 111.4 | N610 L611 | N610-N613 WeakPolarHBondContact O-CB 3.36Å; N610-N613 PolarHBondContact O-N 3.23Å; L611-N613 VanDerWaalsContact C-N 3.29Å; L611-N613 PolarHBondContact O-N 3.39Å |
| 614 | Y | 53.3 | Low | 58.8 | Low | 78 Ų | 78 | 72.7 Ų | 72.7 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 174.9 | -93.1 | -91.7 | 0 | 0 | 0 | 113 | N610 L611 Q616 S617 L618 | N610-Y614 WeakPolarHBondContact O-CD2 3.45Å; N610-Y614 PolarHBondContact O-N 3.37Å; L611-Y614 PolarHBondContact O-N 3.46Å; Y614-Q616 PolarHBondContact O-N 3.34Å; Y614-S617 PolarHBondContact O-N 3Å; Y614-S617 PolarHBondContact O-OG 3.15Å; Y614-S617 VanDerWaalsContact O-OG 3.04Å; Y614-L618 HydrophobicContact CD1-CD1 4.33Å; Y614-L618 WeakPolarHBondContact O-CD1 3.38Å; Y614-L618 WeakPolarHBondContact O-CG 3.2Å; Y614-L618 PolarHBondContact O-N 2.9Å |
| 615 | S | 48 | Very low | 57 | Low | 71 Ų | 71 | 74.5 Ų | 74.5 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -20.4 | -177.6 | 71.3 | 0 | 0 | 0 | 0 | 114.9 | L611 S612 | L611-S615 PolarHBondContact O-N 3.38Å; S612-S615 PolarHBondContact O-OG 2.97Å |
| 616 | Q | 40.2 | Very low | 55.2 | Low | 160 Ų | 160 | 72 Ų | 72 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -88.8 | -27.2 | 178.3 | -71.4 | -176 | -10.5 | 0 | 0 | 112.9 | Y614 | Y614-Q616 PolarHBondContact O-N 3.34Å |
| 617 | S | 39.6 | Very low | 53.5 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -83.7 | -22.5 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | Y614 S620 | Y614-S617 PolarHBondContact O-N 3Å; Y614-S617 PolarHBondContact O-OG 3.15Å; Y614-S617 VanDerWaalsContact O-OG 3.04Å; S617-S620 PolarHBondContact O-OG 3.44Å |
| 618 | L | 36.7 | Very low | 51.8 | Low | 41 Ų | 41 | 71.6 Ų | 71.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -86.6 | -9.1 | -174 | -73.4 | 163.5 | 0 | 0 | 0 | 115.1 | Y614 S620 N621 | Y614-L618 HydrophobicContact CD1-CD1 4.33Å; Y614-L618 WeakPolarHBondContact O-CD1 3.38Å; Y614-L618 WeakPolarHBondContact O-CG 3.2Å; Y614-L618 PolarHBondContact O-N 2.9Å; L618-S620 PolarHBondContact O-N 2.6Å; L618-N621 PolarHBondContact O-N 3.48Å |
| 619 | K | 38.3 | Very low | 50.4 | Low | 188 Ų | 188 | 72.5 Ų | 72.5 | 82% | 0.817 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -61.9 | -8.7 | 178.6 | -74.7 | -172.7 | 178.9 | -178.3 | 0 | 114.4 | ||
| 620 | S | 34.9 | Very low | 49.3 | Very low | 83 Ų | 83 | 71.3 Ų | 71.3 | 58% | 0.58 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -107.1 | -8.6 | 179.7 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | S617 L618 | S617-S620 PolarHBondContact O-OG 3.44Å; L618-S620 PolarHBondContact O-N 2.6Å |
| 621 | N | 36.3 | Very low | 48.6 | Very low | 93 Ų | 93 | 71.5 Ų | 71.5 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -129.5 | 36.3 | -165.4 | -84.9 | 6.1 | 0 | 0 | 0 | 115.7 | L618 F623 | L618-N621 PolarHBondContact O-N 3.48Å; N621-F623 PolarHBondContact O-N 3Å | ||
| 622 | C | 37.6 | Very low | 48.3 | Very low | 93 Ų | 93 | 74 Ų | 74 | 63% | 0.628 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 13.3 | 175.9 | -71.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 623 | F | 46.5 | Very low | 48.4 | Very low | 18 Ų | 18 | 72.2 Ų | 72.2 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -12.3 | -169.6 | -70.7 | -84.3 | 0 | 0 | 0 | 114.6 | R306 L340 G343 L345 L375 N621 | R306-F623 WeakPolarHBondContact CD-O 3.41Å; R306-F623 PolarHBondContact NH1-O 2.95Å; L340-F623 HydrophobicContact CD1-CE1 4.02Å; L340-F623 HydrophobicContact CD1-CZ 4.21Å; L340-F623 HydrophobicContact CG-CE1 4.26Å; L340-F623 VanDerWaalsContact O-CD1 3.25Å; L340-F623 WeakPolarHBondContact O-CD1 3.25Å; L340-F623 VanDerWaalsContact O-CE1 3.28Å; L340-F623 WeakPolarHBondContact O-CE1 3.35Å; G343-F623 VanDerWaalsContact CA-CE2 3.5Å; G343-F623 VanDerWaalsContact CA-CG 3.48Å; L345-F623 HydrophobicContact CD1-CE2 3.88Å; L345-F623 HydrophobicContact CD1-CZ 3.87Å; L345-F623 HydrophobicContact CD2-CZ 3.8Å; L345-F623 HydrophobicContact CG-CE2 3.91Å; L345-F623 HydrophobicContact CG-CZ 3.61Å; L375-F623 HydrophobicContact CD1-CE1 3.94Å; L375-F623 HydrophobicContact CD1-CZ 4.08Å; N621-F623 PolarHBondContact O-N 3Å |
| 624 | N | 48.7 | Very low | 48.9 | Very low | 80 Ų | 80 | 67.8 Ų | 67.8 | 43% | 0.428 | 37% | 0.37 | S | S | . | . | trans | -89.1 | 125.9 | 179.3 | -73.9 | -8.8 | 0 | 0 | 0 | 110.2 | S626 | N624-S626 PolarHBondContact O-N 2.92Š| ||
| 625 | Y | 51.5 | Low | 50 | Low | 38 Ų | 38 | 67.4 Ų | 67.4 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -65.8 | 3.2 | 172.3 | -64.9 | -70.4 | 0 | 0 | 0 | 114.3 | R306 D451 L454 Q455 M511 F627 | R306-Y625 HydrophobicContact CG-CD2 4.38Å; R306-Y625 HydrophobicContact CG-CE2 3.94Å; R306-Y625 VanDerWaalsContact CZ-OH 3.31Å; R306-Y625 PolarHBondContact NH2-OH 3.28Å; R306-Y625 VanDerWaalsContact NH2-OH 3.09Å; D451-Y625 PolarHBondContact O-OH 2.89Å; D451-Y625 VanDerWaalsContact O-OH 3.09Å; D451-Y625 WeakPolarHBondContact OD1-CE2 3.45Å; D451-Y625 PolarHBondContact OD1-OH 3.32Å; D451-Y625 PolarHBondContact OD2-OH 3.43Å; L454-Y625 HydrophobicContact CB-CD1 4.28Å; L454-Y625 HydrophobicContact CB-CE1 3.79Å; L454-Y625 HydrophobicContact CD1-CD1 4.46Å; L454-Y625 HydrophobicContact CD1-CD2 4.08Å; L454-Y625 HydrophobicContact CD1-CE1 4.45Å; L454-Y625 HydrophobicContact CD1-CE2 4.04Å; L454-Y625 HydrophobicContact CD1-CG 4.29Å; Q455-Y625 HydrophobicContact CG-CE1 4.4Å; Q455-Y625 VanDerWaalsContact CG-OH 3.26Å; Q455-Y625 WeakPolarHBondContact CG-OH 3.41Å; M511-Y625 WeakPolarHBondContact CE-O 3.36Å; Y625-F627 PolarHBondContact O-N 2.94Å | ||
| 626 | S | 48.4 | Very low | 51.5 | Low | 40 Ų | 40 | 64 Ų | 64 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -66.5 | 129.2 | 168.5 | 172.6 | 0 | 0 | 0 | 0 | 108.6 | N624 N628 | N624-S626 PolarHBondContact O-N 2.92Å; S626-N628 PolarHBondContact O-N 3.46Å; S626-N628 PolarHBondContact OG-N 3.38Å; S626-N628 PolarHBondContact OG-ND2 2.95Å; S626-N628 PolarHBondContact OG-OD1 3.32Å |
| 627 | F | 49.5 | Very low | 53.5 | Low | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 29.4 | 172.2 | -91.5 | -88.3 | 0 | 0 | 0 | 112.8 | M511 Y514 L515 Y625 D629 M631 | M511-F627 HydrophobicContact CE-CD2 4.2Å; M511-F627 HydrophobicContact CE-CE2 4.08Å; Y514-F627 AromaticContact CE1-CD2 3.76Å; Y514-F627 HydrophobicContact CE1-CD2 3.76Å; Y514-F627 AromaticContact CE1-CE2 3.86Å; Y514-F627 HydrophobicContact CE1-CE2 3.86Å; L515-F627 HydrophobicContact CD2-CE2 4.1Å; Y625-F627 PolarHBondContact O-N 2.94Å; F627-D629 PolarHBondContact O-N 2.96Å; F627-M631 HydrophobicContact CE1-CG 4.36Å |
| 628 | N | 46.8 | Very low | 55.6 | Low | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.1 | 165.7 | -78.5 | -17.7 | 0 | 0 | 0 | 111.3 | S626 I630 | S626-N628 PolarHBondContact O-N 3.46Å; S626-N628 PolarHBondContact OG-N 3.38Å; S626-N628 PolarHBondContact OG-ND2 2.95Å; S626-N628 PolarHBondContact OG-OD1 3.32Å; N628-I630 PolarHBondContact O-N 3.18Å |
| 629 | D | 52.7 | Low | 58 | Low | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -77.7 | 101.9 | 169.9 | -76.1 | -14.3 | 0 | 0 | 0 | 109.8 | F627 M631 | F627-D629 PolarHBondContact O-N 2.96Å; D629-M631 HydrophobicContact CB-CE 4.16Å; D629-M631 WeakPolarHBondContact O-CE 3.45Å; D629-M631 PolarHBondContact O-N 3.3Å |
| 630 | I | 58.6 | Low | 60.2 | Low | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.159 | 25% | 0.254 | C | S | . | . | trans | -62.4 | 111.3 | 174.2 | -59.1 | 154.9 | 0 | 0 | 0 | 107.4 | P581 L611 N628 D634 K635 | P581-I630 HydrophobicContact CB-CD1 3.7Å; P581-I630 HydrophobicContact CB-CG1 4.21Å; P581-I630 HydrophobicContact CG-CD1 3.5Å; P581-I630 VanDerWaalsContact CG-CD1 3.5Å; P581-I630 HydrophobicContact CG-CG1 4.32Å; L611-I630 HydrophobicContact CD2-CD1 3.29Å; L611-I630 HydrophobicContact CD2-CG1 4.46Å; L611-I630 HydrophobicContact CD2-CG2 4.34Å; L611-I630 HydrophobicContact CG-CD1 3.85Å; N628-I630 PolarHBondContact O-N 3.18Å; I630-D634 HydrophobicContact CG2-CB 3.83Å; I630-K635 HydrophobicContact CG2-CB 3.85Å | ||
| 631 | M | 62.6 | Low | 62.6 | Low | 61 Ų | 61 | 42.8 Ų | 42.8 | 30% | 0.3 | 23% | 0.233 | S | C | . | . | trans | -57.6 | 146.9 | 175.2 | -70.2 | -65 | 103.2 | 0 | 0 | 109.6 | F627 D629 S633 D634 K635 | F627-M631 HydrophobicContact CE1-CG 4.36Å; D629-M631 HydrophobicContact CB-CE 4.16Å; D629-M631 WeakPolarHBondContact O-CE 3.45Å; D629-M631 PolarHBondContact O-N 3.3Å; M631-S633 WeakPolarHBondContact CB-OG 3.48Å; M631-S633 PolarHBondContact O-N 3.43Å; M631-S633 VanDerWaalsContact O-N 3.07Å; M631-D634 PolarHBondContact O-N 3.42Å; M631-K635 PolarHBondContact O-N 2.91Å | ||
| 632 | P | 63.5 | Low | 65.2 | Low | 70 Ų | 70 | 38.8 Ų | 38.8 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50 | -36.3 | 174.8 | -26.5 | 33.7 | 0 | 0 | 0 | 112.3 | K635 L636 F666 | P632-K635 PolarHBondContact O-N 3.37Å; P632-L636 WeakPolarHBondContact O-CB 3.4Å; P632-L636 PolarHBondContact O-N 3.1Å; P632-F666 HydrophobicContact CB-CE1 4.19Å; P632-F666 WeakPolarHBondContact O-CE1 3.36Å; P632-F666 WeakPolarHBondContact O-CZ 3.39Å |
| 633 | S | 65.9 | Low | 67.6 | Low | 28 Ų | 28 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 173.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | M631 L636 S637 | M631-S633 WeakPolarHBondContact CB-OG 3.48Å; M631-S633 PolarHBondContact O-N 3.43Å; M631-S633 VanDerWaalsContact O-N 3.07Å; S633-L636 PolarHBondContact O-N 2.93Å; S633-S637 WeakPolarHBondContact O-CB 3.13Å; S633-S637 PolarHBondContact O-N 3.33Å |
| 634 | D | 68.4 | Low | 69.5 | Low | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | 177.9 | -73.3 | -46.8 | 0 | 0 | 0 | 110.6 | K552 L582 I630 M631 L636 S637 L638 | K552-D634 IonicContact NZ-OD1 3.75Å; L582-D634 HydrophobicContact CD2-CB 3.66Å; L582-D634 VanDerWaalsContact CD2-CG 3.47Å; I630-D634 HydrophobicContact CG2-CB 3.83Å; M631-D634 PolarHBondContact O-N 3.42Å; D634-L636 VanDerWaalsContact C-N 3.28Å; D634-L636 PolarHBondContact O-N 3.28Å; D634-S637 WeakPolarHBondContact CA-OG 3.39Å; D634-S637 PolarHBondContact O-N 3.19Å; D634-S637 VanDerWaalsContact O-N 3.16Å; D634-S637 PolarHBondContact O-OG 2.9Å; D634-L638 PolarHBondContact O-N 3Å; D634-L638 VanDerWaalsContact O-N 3.09Å |
| 635 | K | 75.4 | Confident | 71.3 | Confident | 69 Ų | 69 | 32.3 Ų | 32.3 | 30% | 0.3 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 172.7 | -173.9 | -176.6 | 176.9 | -177.4 | 0 | 110.2 | L611 I630 M631 P632 S637 L638 Y639 F666 | L611-K635 HydrophobicContact CD2-CD 4.37Å; L611-K635 HydrophobicContact CD2-CG 4.21Å; I630-K635 HydrophobicContact CG2-CB 3.85Å; M631-K635 PolarHBondContact O-N 2.91Å; P632-K635 PolarHBondContact O-N 3.37Å; K635-S637 VanDerWaalsContact C-N 3.34Å; K635-S637 PolarHBondContact O-N 3.25Å; K635-L638 WeakPolarHBondContact O-CB 3.36Å; K635-L638 PolarHBondContact O-N 3.24Å; K635-Y639 HydrophobicContact CG-CD2 4.47Å; K635-Y639 HydrophobicContact CG-CE2 4.07Å; K635-Y639 VanDerWaalsContact O-CD2 3.25Å; K635-Y639 WeakPolarHBondContact O-CD2 3.29Å; K635-Y639 PolarHBondContact O-N 3.28Å; K635-F666 HydrophobicContact CB-CE1 4.5Å; K635-F666 HydrophobicContact CB-CZ 3.89Å; K635-F666 HydrophobicContact CD-CE1 4.49Å; K635-F666 HydrophobicContact CD-CZ 3.93Å; K635-F666 HydrophobicContact CG-CZ 3.81Å |
| 636 | L | 79.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.2 | 174.3 | 57.8 | 0 | 0 | 0 | 111.8 | P632 S633 D634 L638 Y639 I640 A662 F666 D671 Q674 V675 | P632-L636 WeakPolarHBondContact O-CB 3.4Å; P632-L636 PolarHBondContact O-N 3.1Å; S633-L636 PolarHBondContact O-N 2.93Å; D634-L636 VanDerWaalsContact C-N 3.28Å; D634-L636 PolarHBondContact O-N 3.28Å; L636-L638 PolarHBondContact O-N 3.35Å; L636-Y639 WeakPolarHBondContact O-CB 3.47Å; L636-Y639 PolarHBondContact O-N 3.07Å; L636-I640 HydrophobicContact CD1-CD1 3.92Å; L636-I640 HydrophobicContact CD1-CG1 3.9Å; L636-I640 HydrophobicContact CD2-CD1 4.19Å; L636-I640 HydrophobicContact CG-CD1 3.75Å; L636-I640 HydrophobicContact CG-CG1 4.18Å; L636-I640 PolarHBondContact O-N 3.19Å; L636-A662 HydrophobicContact CD1-CB 4.36Å; L636-F666 HydrophobicContact CB-CD2 4.21Å; L636-F666 HydrophobicContact CB-CE1 4.13Å; L636-F666 HydrophobicContact CB-CE2 3.73Å; L636-F666 HydrophobicContact CB-CZ 3.68Å; L636-F666 HydrophobicContact CD1-CD2 3.8Å; L636-F666 HydrophobicContact CD1-CE2 3.85Å; L636-F666 HydrophobicContact CG-CD2 4.48Å; L636-F666 HydrophobicContact CG-CE2 4.37Å; L636-D671 HydrophobicContact CD2-CB 3.56Å; L636-D671 WeakPolarHBondContact CD2-O 3.44Å; L636-Q674 HydrophobicContact CD2-CB 3.9Å; L636-V675 HydrophobicContact CD1-CG2 3.27Å; L636-V675 HydrophobicContact CD2-CG2 4.11Å; L636-V675 HydrophobicContact CG-CG2 4.37Å |
| 637 | S | 81.3 | Confident | 75 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -32.8 | 178.5 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | L585 S633 D634 K635 I640 E641 | L585-S637 WeakPolarHBondContact CD1-OG 3.48Å; S633-S637 WeakPolarHBondContact O-CB 3.13Å; S633-S637 PolarHBondContact O-N 3.33Å; D634-S637 WeakPolarHBondContact CA-OG 3.39Å; D634-S637 PolarHBondContact O-N 3.19Å; D634-S637 VanDerWaalsContact O-N 3.16Å; D634-S637 PolarHBondContact O-OG 2.9Å; K635-S637 VanDerWaalsContact C-N 3.34Å; K635-S637 PolarHBondContact O-N 3.25Å; S637-I640 PolarHBondContact O-N 3.07Å; S637-E641 WeakPolarHBondContact O-CB 3.23Å; S637-E641 WeakPolarHBondContact O-CG 3.45Å; S637-E641 PolarHBondContact O-N 3.03Å |
| 638 | L | 84.1 | Confident | 76.7 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 171 | -74.3 | 165.3 | 0 | 0 | 0 | 112.6 | P581 L585 L604 A607 I608 L611 D634 K635 L636 L642 | P581-L638 HydrophobicContact CB-CD1 4.19Å; L585-L638 HydrophobicContact CB-CD2 3.66Å; L585-L638 HydrophobicContact CB-CG 4.4Å; L585-L638 HydrophobicContact CD1-CD2 3.86Å; L585-L638 HydrophobicContact CD1-CG 3.82Å; L585-L638 HydrophobicContact CG-CD2 4.18Å; L604-L638 HydrophobicContact CD2-CD2 3.6Å; A607-L638 HydrophobicContact CB-CD2 4.22Å; I608-L638 HydrophobicContact CD1-CB 4.44Å; I608-L638 HydrophobicContact CG1-CB 4.27Å; L611-L638 HydrophobicContact CD1-CD1 3.37Å; D634-L638 PolarHBondContact O-N 3Å; D634-L638 VanDerWaalsContact O-N 3.09Å; K635-L638 WeakPolarHBondContact O-CB 3.36Å; K635-L638 PolarHBondContact O-N 3.24Å; L636-L638 PolarHBondContact O-N 3.35Å; L638-L642 VanDerWaalsContact O-CB 3.23Å; L638-L642 WeakPolarHBondContact O-CB 3.22Å; L638-L642 PolarHBondContact O-N 3.47Å |
| 639 | Y | 87.1 | Confident | 78.6 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.6 | -77.6 | -87.1 | 0 | 0 | 0 | 112 | I608 K635 L636 L642 A643 V658 D661 A662 F666 | I608-Y639 HydrophobicContact CG2-CE1 4.49Å; K635-Y639 HydrophobicContact CG-CD2 4.47Å; K635-Y639 HydrophobicContact CG-CE2 4.07Å; K635-Y639 VanDerWaalsContact O-CD2 3.25Å; K635-Y639 WeakPolarHBondContact O-CD2 3.29Å; K635-Y639 PolarHBondContact O-N 3.28Å; L636-Y639 WeakPolarHBondContact O-CB 3.47Å; L636-Y639 PolarHBondContact O-N 3.07Å; Y639-L642 PolarHBondContact O-N 3.13Å; Y639-A643 WeakPolarHBondContact O-CB 3.47Å; Y639-A643 PolarHBondContact O-N 3.45Å; Y639-V658 HydrophobicContact CD1-CG1 3.98Å; Y639-V658 WeakPolarHBondContact O-CG1 3.46Å; Y639-D661 HydrophobicContact CE1-CB 4.35Å; Y639-A662 HydrophobicContact CD1-CB 3.97Å; Y639-A662 HydrophobicContact CG-CB 3.87Å; Y639-F666 AromaticContact CD2-CE2 3.95Å; Y639-F666 HydrophobicContact CD2-CE2 3.95Å; Y639-F666 HydrophobicContact CE2-CE2 4.26Å |
| 640 | I | 86 | Confident | 80 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 179.1 | -65.9 | 175.1 | 0 | 0 | 0 | 110.3 | L636 S637 L642 A643 D644 Q674 A678 | L636-I640 HydrophobicContact CD1-CD1 3.92Å; L636-I640 HydrophobicContact CD1-CG1 3.9Å; L636-I640 HydrophobicContact CD2-CD1 4.19Å; L636-I640 HydrophobicContact CG-CD1 3.75Å; L636-I640 HydrophobicContact CG-CG1 4.18Å; L636-I640 PolarHBondContact O-N 3.19Å; S637-I640 PolarHBondContact O-N 3.07Å; I640-L642 VanDerWaalsContact C-N 3.28Å; I640-L642 PolarHBondContact O-N 2.91Å; I640-A643 PolarHBondContact O-N 3.36Å; I640-D644 PolarHBondContact O-N 3.12Å; I640-Q674 HydrophobicContact CD1-CB 4.05Å; I640-A678 HydrophobicContact CG1-CB 4.33Å; I640-A678 HydrophobicContact CG2-CB 4.4Å |
| 641 | E | 85.2 | Confident | 81.5 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | 178.2 | -66.2 | -76.4 | -178.2 | 0 | 0 | 111.4 | R589 L604 S637 D644 A645 | R589-E641 IonicContact CZ-OE1 2.91Å; R589-E641 IonicContact NE-OE1 2.73Å; R589-E641 IonicContact NH1-OE1 3.85Å; R589-E641 PolarHBondContact NH1-OE1 3.25Å; R589-E641 VanDerWaalsContact NH1-OE1 3.15Å; L604-E641 HydrophobicContact CD1-CB 4.12Å; S637-E641 WeakPolarHBondContact O-CB 3.23Å; S637-E641 WeakPolarHBondContact O-CG 3.45Å; S637-E641 PolarHBondContact O-N 3.03Å; E641-D644 PolarHBondContact O-N 3.4Å; E641-A645 VanDerWaalsContact O-CB 3.28Å; E641-A645 WeakPolarHBondContact O-CB 3.21Å; E641-A645 PolarHBondContact O-N 3.04Å |
| 642 | L | 89.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 174.1 | 177.3 | 64 | 0 | 0 | 0 | 111.2 | V601 L604 K605 I608 L638 Y639 I640 D644 A645 H646 V658 | V601-L642 HydrophobicContact CG1-CD1 4.19Å; V601-L642 HydrophobicContact CG2-CD1 4.45Å; L604-L642 HydrophobicContact CB-CB 4.1Å; L604-L642 HydrophobicContact CB-CD1 3.8Å; L604-L642 HydrophobicContact CB-CG 4.44Å; L604-L642 HydrophobicContact CD1-CB 4.11Å; L604-L642 HydrophobicContact CD1-CD1 4.46Å; K605-L642 HydrophobicContact CG-CD1 4Å; K605-L642 HydrophobicContact CG-CD2 4.34Å; I608-L642 HydrophobicContact CD1-CB 4.26Å; I608-L642 HydrophobicContact CD1-CD2 3.49Å; I608-L642 VanDerWaalsContact CD1-CD2 3.49Å; I608-L642 HydrophobicContact CD1-CG 4.46Å; L638-L642 VanDerWaalsContact O-CB 3.23Å; L638-L642 WeakPolarHBondContact O-CB 3.22Å; L638-L642 PolarHBondContact O-N 3.47Å; Y639-L642 PolarHBondContact O-N 3.13Å; I640-L642 VanDerWaalsContact C-N 3.28Å; I640-L642 PolarHBondContact O-N 2.91Å; L642-D644 VanDerWaalsContact C-N 3.34Å; L642-A645 PolarHBondContact O-N 2.98Å; L642-H646 PolarHBondContact O-CD2 2.85Å; L642-H646 VanDerWaalsContact O-CD2 3.26Å; L642-H646 PolarHBondContact O-N 2.96Å; L642-V658 HydrophobicContact CB-CG1 4.13Å; L642-V658 HydrophobicContact CD2-CB 4.46Å; L642-V658 HydrophobicContact CD2-CG1 3.78Å; L642-V658 HydrophobicContact CD2-CG2 3.72Å; L642-V658 HydrophobicContact CG-CG1 3.98Å; L642-V658 HydrophobicContact CG-CG2 4.09Å |
| 643 | A | 88.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y639 I640 H646 R647 A655 V658 L659 | Y639-A643 WeakPolarHBondContact O-CB 3.47Å; Y639-A643 PolarHBondContact O-N 3.45Å; I640-A643 PolarHBondContact O-N 3.36Å; A643-H646 PolarHBondContact O-N 2.9Å; A643-R647 WeakPolarHBondContact O-CB 3.45Å; A643-R647 PolarHBondContact O-N 3.31Å; A643-A655 WeakPolarHBondContact O-CB 3.31Å; A643-V658 HydrophobicContact CB-CB 4.49Å; A643-V658 HydrophobicContact CB-CG1 4.17Å; A643-L659 HydrophobicContact CB-CD1 4.2Å; A643-L659 HydrophobicContact CB-CD2 3.57Å; A643-L659 HydrophobicContact CB-CG 3.59Å |
| 644 | D | 85.8 | Confident | 84.9 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 174.5 | -90.4 | -41.2 | 0 | 0 | 0 | 112.3 | I640 E641 L642 H646 R647 T648 | I640-D644 PolarHBondContact O-N 3.12Å; E641-D644 PolarHBondContact O-N 3.4Å; L642-D644 VanDerWaalsContact C-N 3.34Å; D644-H646 PolarHBondContact O-N 3.22Å; D644-R647 WeakPolarHBondContact O-CB 3.32Å; D644-R647 PolarHBondContact O-N 3.42Å; D644-R647 IonicContact OD1-CZ 2.71Å; D644-R647 IonicContact OD1-NE 3.67Å; D644-R647 PolarHBondContact OD1-NE 3.06Å; D644-R647 IonicContact OD1-NH2 2.91Å; D644-R647 PolarHBondContact OD1-NH2 3.36Å; D644-T648 WeakPolarHBondContact O-CG2 3.43Å; D644-T648 PolarHBondContact O-N 3.27Å; D644-T648 PolarHBondContact O-OG1 3.39Å |
| 645 | A | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V601 L604 E641 L642 R647 T648 L649 | V601-A645 HydrophobicContact CG2-CB 3.55Å; L604-A645 HydrophobicContact CD1-CB 4.37Å; E641-A645 VanDerWaalsContact O-CB 3.28Å; E641-A645 WeakPolarHBondContact O-CB 3.21Å; E641-A645 PolarHBondContact O-N 3.04Å; L642-A645 PolarHBondContact O-N 2.98Å; A645-R647 PolarHBondContact O-N 3.26Å; A645-T648 PolarHBondContact O-N 2.66Å; A645-T648 PolarHBondContact O-OG1 2.91Å; A645-L649 WeakPolarHBondContact O-CG 3.44Å; A645-L649 PolarHBondContact O-N 3.23Å; A645-L649 VanDerWaalsContact O-N 3.14Å |
| 646 | H | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 171.8 | -81.9 | -61.7 | 0 | 0 | 0 | 112.7 | V601 K605 L642 A643 D644 T648 L649 G650 E651 A655 | V601-H646 VanDerWaalsContact CG1-CE1 3.48Å; V601-H646 WeakPolarHBondContact CG1-CE1 3.43Å; K605-H646 WeakPolarHBondContact CE-NE2 3.43Å; K605-H646 PolarHBondContact NZ-CE1 2.7Å; L642-H646 PolarHBondContact O-CD2 2.85Å; L642-H646 VanDerWaalsContact O-CD2 3.26Å; L642-H646 PolarHBondContact O-N 2.96Å; A643-H646 PolarHBondContact O-N 2.9Å; D644-H646 PolarHBondContact O-N 3.22Å; H646-T648 PolarHBondContact O-N 2.9Å; H646-L649 PolarHBondContact O-N 3.22Å; H646-G650 PolarHBondContact O-N 2.86Å; H646-E651 HydrophobicContact CB-CB 4.37Å; H646-E651 IonicContact CE1-OE2 2.94Å; H646-E651 PolarHBondContact CE1-OE2 3.44Å; H646-E651 IonicContact CG-OE2 3.63Å; H646-E651 IonicContact ND1-OE2 3.44Å; H646-E651 PolarHBondContact ND1-OE2 3.02Å; H646-E651 PolarHBondContact O-N 3.09Å; H646-A655 HydrophobicContact CB-CB 3.77Å |
| 647 | R | 87 | Confident | 87.2 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.5 | -175.6 | -176.1 | 62.6 | 74.9 | 1.4 | 111.5 | A643 D644 A645 L649 G650 L682 | A643-R647 WeakPolarHBondContact O-CB 3.45Å; A643-R647 PolarHBondContact O-N 3.31Å; D644-R647 WeakPolarHBondContact O-CB 3.32Å; D644-R647 PolarHBondContact O-N 3.42Å; D644-R647 IonicContact OD1-CZ 2.71Å; D644-R647 IonicContact OD1-NE 3.67Å; D644-R647 PolarHBondContact OD1-NE 3.06Å; D644-R647 IonicContact OD1-NH2 2.91Å; D644-R647 PolarHBondContact OD1-NH2 3.36Å; A645-R647 PolarHBondContact O-N 3.26Å; R647-L649 VanDerWaalsContact C-N 3.32Å; R647-L649 PolarHBondContact O-N 2.67Å; R647-G650 PolarHBondContact O-N 3.42Å; R647-L682 HydrophobicContact CB-CD1 4.45Å; R647-L682 HydrophobicContact CG-CD1 4.31Å |
| 648 | T | 85.1 | Confident | 87.6 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -27.8 | 177.5 | 60.6 | 0 | 0 | 0 | 0 | 113.6 | A597 D644 A645 H646 G650 | A597-T648 VanDerWaalsContact CB-OG1 3.31Å; A597-T648 WeakPolarHBondContact CB-OG1 3.5Å; D644-T648 WeakPolarHBondContact O-CG2 3.43Å; D644-T648 PolarHBondContact O-N 3.27Å; D644-T648 PolarHBondContact O-OG1 3.39Å; A645-T648 PolarHBondContact O-N 2.66Å; A645-T648 PolarHBondContact O-OG1 2.91Å; H646-T648 PolarHBondContact O-N 2.9Å; T648-G650 VanDerWaalsContact C-N 3.29Å |
| 649 | L | 86.6 | Confident | 87.9 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.8 | 172.9 | -70.7 | 172.8 | 0 | 0 | 0 | 114.1 | A597 K598 V601 A645 H646 R647 E651 | A597-L649 HydrophobicContact CB-CD2 3.8Å; A597-L649 HydrophobicContact CB-CG 3.86Å; K598-L649 HydrophobicContact CB-CD2 4.43Å; K598-L649 HydrophobicContact CG-CD1 4.32Å; K598-L649 HydrophobicContact CG-CD2 3.46Å; K598-L649 VanDerWaalsContact CG-CD2 3.46Å; V601-L649 HydrophobicContact CB-CD1 4.28Å; V601-L649 HydrophobicContact CG2-CD1 3.54Å; A645-L649 WeakPolarHBondContact O-CG 3.44Å; A645-L649 PolarHBondContact O-N 3.23Å; A645-L649 VanDerWaalsContact O-N 3.14Å; H646-L649 PolarHBondContact O-N 3.22Å; R647-L649 VanDerWaalsContact C-N 3.32Å; R647-L649 PolarHBondContact O-N 2.67Å; L649-E651 VanDerWaalsContact C-N 3.33Å; L649-E651 HydrophobicContact CB-CG 4.21Å |
| 650 | G | 83.5 | Confident | 88 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H646 R647 T648 Q652 | H646-G650 PolarHBondContact O-N 2.86Å; R647-G650 PolarHBondContact O-N 3.42Å; T648-G650 VanDerWaalsContact C-N 3.29Å; G650-Q652 PolarHBondContact O-N 3.4Å |
| 651 | E | 88.4 | Confident | 88.1 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | trans | -82.9 | 62.9 | 179.2 | -64.1 | 175.6 | 178 | 0 | 0 | 111 | H646 L649 H653 E654 A655 | H646-E651 HydrophobicContact CB-CB 4.37Å; H646-E651 IonicContact CE1-OE2 2.94Å; H646-E651 PolarHBondContact CE1-OE2 3.44Å; H646-E651 IonicContact CG-OE2 3.63Å; H646-E651 IonicContact ND1-OE2 3.44Å; H646-E651 PolarHBondContact ND1-OE2 3.02Å; H646-E651 PolarHBondContact O-N 3.09Å; L649-E651 VanDerWaalsContact C-N 3.33Å; L649-E651 HydrophobicContact CB-CG 4.21Å; E651-H653 VanDerWaalsContact C-N 3.32Å; E651-H653 PolarHBondContact O-N 3.25Å; E651-E654 HydrophobicContact CB-CB 4.27Å; E651-E654 PolarHBondContact O-N 3.11Å; E651-A655 PolarHBondContact O-N 3.01Å; E651-A655 VanDerWaalsContact O-N 3.08Å | ||
| 652 | Q | 85.7 | Confident | 88.1 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | -172.4 | -64.9 | -178.7 | -15.1 | 0 | 0 | 113.8 | G650 A655 T656 S685 | G650-Q652 PolarHBondContact O-N 3.4Å; Q652-A655 PolarHBondContact O-N 3.36Å; Q652-T656 PolarHBondContact O-N 3.14Å; Q652-T656 PolarHBondContact O-OG1 2.87Å; Q652-S685 PolarHBondContact NE2-O 2.93Å |
| 653 | H | 89.6 | Confident | 88 | Confident | 166 Ų | 166 | 55.8 Ų | 55.8 | 77% | 0.769 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 178 | -68.8 | -57.2 | 0 | 0 | 0 | 112.1 | E651 T656 K657 | E651-H653 VanDerWaalsContact C-N 3.32Å; E651-H653 PolarHBondContact O-N 3.25Å; H653-T656 PolarHBondContact O-N 3.05Å; H653-K657 PolarHBondContact O-N 2.97Å; H653-K657 VanDerWaalsContact O-N 3.08Å |
| 654 | E | 90.1 | Very high | 87.9 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 176.7 | -69.7 | -66.4 | 135.4 | 0 | 0 | 111 | E651 T656 K657 V658 | E651-E654 HydrophobicContact CB-CB 4.27Å; E651-E654 PolarHBondContact O-N 3.11Å; E654-T656 VanDerWaalsContact C-N 3.29Å; E654-T656 PolarHBondContact O-N 3.3Å; E654-K657 WeakPolarHBondContact O-CB 3.48Å; E654-K657 PolarHBondContact O-N 3.46Å; E654-V658 WeakPolarHBondContact O-CG2 3.45Å; E654-V658 PolarHBondContact O-N 3.41Å |
| 655 | A | 89.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A643 H646 E651 Q652 V658 L659 L682 | A643-A655 WeakPolarHBondContact O-CB 3.31Å; H646-A655 HydrophobicContact CB-CB 3.77Å; E651-A655 PolarHBondContact O-N 3.01Å; E651-A655 VanDerWaalsContact O-N 3.08Å; Q652-A655 PolarHBondContact O-N 3.36Å; A655-V658 PolarHBondContact O-N 3.29Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.24Å; A655-L682 HydrophobicContact CB-CD1 3.7Å; A655-L682 HydrophobicContact CB-CD2 4.09Å |
| 656 | T | 89.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 111 | Q652 H653 E654 L659 Q660 L682 Q686 | Q652-T656 PolarHBondContact O-N 3.14Å; Q652-T656 PolarHBondContact O-OG1 2.87Å; H653-T656 PolarHBondContact O-N 3.05Å; E654-T656 VanDerWaalsContact C-N 3.29Å; E654-T656 PolarHBondContact O-N 3.3Å; T656-L659 PolarHBondContact O-N 2.88Å; T656-Q660 WeakPolarHBondContact O-CG 3.46Å; T656-Q660 PolarHBondContact O-N 2.94Å; T656-L682 VanDerWaalsContact CA-CD2 3.45Å; T656-L682 HydrophobicContact CG2-CD2 4.49Å; T656-L682 WeakPolarHBondContact OG1-CD2 3.45Å; T656-Q686 PolarHBondContact OG1-NE2 3.26Å |
| 657 | K | 91.2 | Very high | 86.7 | Confident | 111 Ų | 111 | 66 Ų | 66 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 178.3 | -175.1 | -178.4 | 175.5 | -174.2 | 0 | 111.7 | H653 E654 L659 Q660 D661 | H653-K657 PolarHBondContact O-N 2.97Å; H653-K657 VanDerWaalsContact O-N 3.08Å; E654-K657 WeakPolarHBondContact O-CB 3.48Å; E654-K657 PolarHBondContact O-N 3.46Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 3.41Å; K657-Q660 PolarHBondContact O-N 3.19Å; K657-D661 VanDerWaalsContact O-CG 3.27Å; K657-D661 PolarHBondContact O-N 3.44Å |
| 658 | V | 90.9 | Very high | 86 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 178 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | Y639 L642 A643 E654 A655 D661 A662 | Y639-V658 HydrophobicContact CD1-CG1 3.98Å; Y639-V658 WeakPolarHBondContact O-CG1 3.46Å; L642-V658 HydrophobicContact CB-CG1 4.13Å; L642-V658 HydrophobicContact CD2-CB 4.46Å; L642-V658 HydrophobicContact CD2-CG1 3.78Å; L642-V658 HydrophobicContact CD2-CG2 3.72Å; L642-V658 HydrophobicContact CG-CG1 3.98Å; L642-V658 HydrophobicContact CG-CG2 4.09Å; A643-V658 HydrophobicContact CB-CB 4.49Å; A643-V658 HydrophobicContact CB-CG1 4.17Å; E654-V658 WeakPolarHBondContact O-CG2 3.45Å; E654-V658 PolarHBondContact O-N 3.41Å; A655-V658 PolarHBondContact O-N 3.29Å; V658-D661 PolarHBondContact O-N 3.31Å; V658-A662 WeakPolarHBondContact O-CB 3.31Å; V658-A662 PolarHBondContact O-N 3.46Å |
| 659 | L | 89.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.5 | -36.7 | 176.5 | -70.1 | -179.9 | 0 | 0 | 0 | 112.8 | A643 A655 T656 K657 D661 A662 Y663 A678 M679 L682 | A643-L659 HydrophobicContact CB-CD1 4.2Å; A643-L659 HydrophobicContact CB-CD2 3.57Å; A643-L659 HydrophobicContact CB-CG 3.59Å; A655-L659 WeakPolarHBondContact O-CG 3.36Å; A655-L659 PolarHBondContact O-N 3.24Å; T656-L659 PolarHBondContact O-N 2.88Å; K657-L659 VanDerWaalsContact C-N 3.32Å; K657-L659 PolarHBondContact O-N 3.41Å; L659-D661 VanDerWaalsContact C-N 3.34Å; L659-A662 WeakPolarHBondContact O-CB 3.32Å; L659-A662 PolarHBondContact O-N 3.27Å; L659-Y663 WeakPolarHBondContact O-CB 3.31Å; L659-Y663 PolarHBondContact O-N 2.95Å; L659-A678 HydrophobicContact CD1-CB 4.25Å; L659-A678 HydrophobicContact CD2-CB 3.76Å; L659-M679 VanDerWaalsContact C-CE 3.49Å; L659-M679 HydrophobicContact CB-CE 4.02Å; L659-M679 HydrophobicContact CB-CG 3.95Å; L659-M679 HydrophobicContact CD1-CB 4.5Å; L659-M679 HydrophobicContact CD1-CG 3.99Å; L659-M679 WeakPolarHBondContact O-CE 3.38Å; L659-L682 HydrophobicContact CD1-CB 3.97Å; L659-L682 HydrophobicContact CD1-CD2 3.76Å; L659-L682 HydrophobicContact CD1-CG 4.49Å |
| 660 | Q | 89.5 | Confident | 84.6 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 173 | -75.4 | 175 | -10.3 | 0 | 0 | 111.2 | T656 K657 A662 Y663 L664 M679 | T656-Q660 WeakPolarHBondContact O-CG 3.46Å; T656-Q660 PolarHBondContact O-N 2.94Å; K657-Q660 PolarHBondContact O-N 3.19Å; Q660-A662 VanDerWaalsContact C-N 3.33Å; Q660-A662 PolarHBondContact O-N 2.77Å; Q660-Y663 PolarHBondContact O-N 3.02Å; Q660-L664 WeakPolarHBondContact O-CG 3.41Å; Q660-L664 PolarHBondContact O-N 3.36Å; Q660-M679 HydrophobicContact CG-CE 4.33Å |
| 661 | D | 87.5 | Confident | 84 | Confident | 69 Ų | 69 | 64 Ų | 64 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174.1 | -67.4 | -17.4 | 0 | 0 | 0 | 111 | Y639 K657 V658 L659 L664 T665 | Y639-D661 HydrophobicContact CE1-CB 4.35Å; K657-D661 VanDerWaalsContact O-CG 3.27Å; K657-D661 PolarHBondContact O-N 3.44Å; V658-D661 PolarHBondContact O-N 3.31Å; L659-D661 VanDerWaalsContact C-N 3.34Å; D661-L664 PolarHBondContact O-N 3.5Å; D661-T665 WeakPolarHBondContact O-CB 3.42Å; D661-T665 VanDerWaalsContact O-CG2 3.24Å; D661-T665 WeakPolarHBondContact O-CG2 3.47Å; D661-T665 PolarHBondContact O-N 3.04Å; D661-T665 PolarHBondContact O-OG1 3.48Å |
| 662 | A | 85.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L636 Y639 V658 L659 Q660 L664 T665 F666 V675 | L636-A662 HydrophobicContact CD1-CB 4.36Å; Y639-A662 HydrophobicContact CD1-CB 3.97Å; Y639-A662 HydrophobicContact CG-CB 3.87Å; V658-A662 WeakPolarHBondContact O-CB 3.31Å; V658-A662 PolarHBondContact O-N 3.46Å; L659-A662 WeakPolarHBondContact O-CB 3.32Å; L659-A662 PolarHBondContact O-N 3.27Å; Q660-A662 VanDerWaalsContact C-N 3.33Å; Q660-A662 PolarHBondContact O-N 2.77Å; A662-L664 VanDerWaalsContact C-N 3.34Å; A662-L664 PolarHBondContact O-N 3.26Å; A662-T665 VanDerWaalsContact CA-OG1 3.29Å; A662-T665 WeakPolarHBondContact CA-OG1 3.47Å; A662-T665 PolarHBondContact O-N 3.42Å; A662-T665 PolarHBondContact O-OG1 3.19Å; A662-F666 WeakPolarHBondContact O-CD2 3.33Å; A662-F666 PolarHBondContact O-N 3.2Å; A662-V675 HydrophobicContact CB-CG1 4.13Å; A662-V675 HydrophobicContact CB-CG2 4.13Å |
| 663 | Y | 86.7 | Confident | 83.3 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | -179.9 | -172.9 | -89.4 | 0 | 0 | 0 | 111.9 | L659 Q660 A667 V672 V675 T676 M679 | L659-Y663 WeakPolarHBondContact O-CB 3.31Å; L659-Y663 PolarHBondContact O-N 2.95Å; Q660-Y663 PolarHBondContact O-N 3.02Å; Y663-A667 WeakPolarHBondContact O-CA 3.26Å; Y663-A667 WeakPolarHBondContact O-CB 3.42Å; Y663-A667 PolarHBondContact O-N 3.28Å; Y663-V672 HydrophobicContact CD2-CG1 3.9Å; Y663-V672 HydrophobicContact CE2-CG1 3.54Å; Y663-V675 HydrophobicContact CD2-CG1 4.25Å; Y663-T676 HydrophobicContact CD2-CG2 4.22Å; Y663-T676 HydrophobicContact CE2-CG2 3.79Å; Y663-M679 HydrophobicContact CD2-CE 4.14Å; Y663-M679 HydrophobicContact CD2-SD 4.25Å; Y663-M679 HydrophobicContact CG-CE 4.02Å |
| 664 | L | 86.9 | Confident | 82.8 | Confident | 128 Ų | 128 | 50.7 Ų | 50.7 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 176.6 | -68.7 | 172.6 | 0 | 0 | 0 | 112.2 | Q660 D661 A662 | Q660-L664 WeakPolarHBondContact O-CG 3.41Å; Q660-L664 PolarHBondContact O-N 3.36Å; D661-L664 PolarHBondContact O-N 3.5Å; A662-L664 VanDerWaalsContact C-N 3.34Å; A662-L664 PolarHBondContact O-N 3.26Å |
| 665 | T | 81.8 | Confident | 82.5 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.9 | -31.1 | -178.8 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | D661 A662 | D661-T665 WeakPolarHBondContact O-CB 3.42Å; D661-T665 VanDerWaalsContact O-CG2 3.24Å; D661-T665 WeakPolarHBondContact O-CG2 3.47Å; D661-T665 PolarHBondContact O-N 3.04Å; D661-T665 PolarHBondContact O-OG1 3.48Å; A662-T665 VanDerWaalsContact CA-OG1 3.29Å; A662-T665 WeakPolarHBondContact CA-OG1 3.47Å; A662-T665 PolarHBondContact O-N 3.42Å; A662-T665 PolarHBondContact O-OG1 3.19Å |
| 666 | F | 79.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -101.7 | 2.6 | 179.5 | -65.6 | -73.5 | 0 | 0 | 0 | 113.4 | P632 K635 L636 Y639 A662 G668 T669 V672 | P632-F666 HydrophobicContact CB-CE1 4.19Å; P632-F666 WeakPolarHBondContact O-CE1 3.36Å; P632-F666 WeakPolarHBondContact O-CZ 3.39Å; K635-F666 HydrophobicContact CB-CE1 4.5Å; K635-F666 HydrophobicContact CB-CZ 3.89Å; K635-F666 HydrophobicContact CD-CE1 4.49Å; K635-F666 HydrophobicContact CD-CZ 3.93Å; K635-F666 HydrophobicContact CG-CZ 3.81Å; L636-F666 HydrophobicContact CB-CD2 4.21Å; L636-F666 HydrophobicContact CB-CE1 4.13Å; L636-F666 HydrophobicContact CB-CE2 3.73Å; L636-F666 HydrophobicContact CB-CZ 3.68Å; L636-F666 HydrophobicContact CD1-CD2 3.8Å; L636-F666 HydrophobicContact CD1-CE2 3.85Å; L636-F666 HydrophobicContact CG-CD2 4.48Å; L636-F666 HydrophobicContact CG-CE2 4.37Å; Y639-F666 AromaticContact CD2-CE2 3.95Å; Y639-F666 HydrophobicContact CD2-CE2 3.95Å; Y639-F666 HydrophobicContact CE2-CE2 4.26Å; A662-F666 WeakPolarHBondContact O-CD2 3.33Å; A662-F666 PolarHBondContact O-N 3.2Å; F666-G668 PolarHBondContact O-N 3.07Å; F666-G668 VanDerWaalsContact O-N 3.14Å; F666-T669 PolarHBondContact O-N 2.99Å; F666-T669 PolarHBondContact O-OG1 2.92Å; F666-V672 VanDerWaalsContact C-CG2 3.49Å; F666-V672 HydrophobicContact CB-CG2 4.28Å; F666-V672 WeakPolarHBondContact O-CG2 3.24Å |
| 667 | A | 77 | Confident | 82.2 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 120.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y663 | Y663-A667 WeakPolarHBondContact O-CA 3.26Å; Y663-A667 WeakPolarHBondContact O-CB 3.42Å; Y663-A667 PolarHBondContact O-N 3.28Å |
| 668 | G | 71 | Confident | 81.9 | Confident | 84 Ų | 84 | 41.7 Ų | 41.7 | 87% | 0.866 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | -7.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F666 | F666-G668 PolarHBondContact O-N 3.07Å; F666-G668 VanDerWaalsContact O-N 3.14Å |
| 669 | T | 73.2 | Confident | 81.8 | Confident | 54 Ų | 54 | 43 Ų | 43 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -90.4 | 159.7 | 173.2 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | F666 D671 V672 | F666-T669 PolarHBondContact O-N 2.99Å; F666-T669 PolarHBondContact O-OG1 2.92Å; T669-D671 PolarHBondContact O-N 3.39Å; T669-D671 PolarHBondContact OG1-N 3.46Å; T669-V672 VanDerWaalsContact O-CG2 3.28Å; T669-V672 WeakPolarHBondContact O-CG2 3.48Å; T669-V672 PolarHBondContact O-N 2.98Å |
| 670 | V | 69.3 | Low | 81.7 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.3 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | V672 P704 Y705 | V670-V672 VanDerWaalsContact C-N 3.3Å; V670-V672 PolarHBondContact O-N 2.84Å; V670-P704 VanDerWaalsContact CG1-CD 3.46Å; V670-P704 HydrophobicContact CG1-CG 3.68Å; V670-Y705 HydrophobicContact CG1-CD2 4.49Å; V670-Y705 HydrophobicContact CG1-CE2 4.19Å; V670-Y705 WeakPolarHBondContact O-CE2 2.84Å |
| 671 | D | 71 | Confident | 81.5 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -15 | -176.9 | -55.6 | -42.8 | 0 | 0 | 0 | 113.7 | L636 T669 A673 Q674 V675 | L636-D671 HydrophobicContact CD2-CB 3.56Å; L636-D671 WeakPolarHBondContact CD2-O 3.44Å; T669-D671 PolarHBondContact O-N 3.39Å; T669-D671 PolarHBondContact OG1-N 3.46Å; D671-A673 PolarHBondContact O-N 3.4Å; D671-A673 VanDerWaalsContact O-N 3.11Å; D671-Q674 WeakPolarHBondContact O-CB 3.21Å; D671-Q674 PolarHBondContact O-N 2.99Å; D671-V675 PolarHBondContact O-N 3.34Å |
| 672 | V | 81.1 | Confident | 81.5 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.3 | -34.6 | 173 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | Y663 F666 T669 V670 Q674 V675 T676 | Y663-V672 HydrophobicContact CD2-CG1 3.9Å; Y663-V672 HydrophobicContact CE2-CG1 3.54Å; F666-V672 VanDerWaalsContact C-CG2 3.49Å; F666-V672 HydrophobicContact CB-CG2 4.28Å; F666-V672 WeakPolarHBondContact O-CG2 3.24Å; T669-V672 VanDerWaalsContact O-CG2 3.28Å; T669-V672 WeakPolarHBondContact O-CG2 3.48Å; T669-V672 PolarHBondContact O-N 2.98Å; V670-V672 VanDerWaalsContact C-N 3.3Å; V670-V672 PolarHBondContact O-N 2.84Å; V672-Q674 PolarHBondContact O-N 3.4Å; V672-V675 WeakPolarHBondContact O-CA 3.49Å; V672-V675 WeakPolarHBondContact O-CB 3.25Å; V672-V675 PolarHBondContact O-N 2.94Å; V672-T676 HydrophobicContact CG1-CG2 4.22Å; V672-T676 WeakPolarHBondContact O-CG2 3.4Å; V672-T676 PolarHBondContact O-N 2.94Å; V672-T676 PolarHBondContact O-OG1 3.39Å |
| 673 | A | 78.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -27.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D671 T676 I677 I699 Y705 | D671-A673 PolarHBondContact O-N 3.4Å; D671-A673 VanDerWaalsContact O-N 3.11Å; A673-T676 VanDerWaalsContact CA-OG1 3.28Å; A673-T676 WeakPolarHBondContact CA-OG1 3.46Å; A673-T676 PolarHBondContact O-OG1 3.11Å; A673-I677 WeakPolarHBondContact O-CD1 3.49Å; A673-I677 WeakPolarHBondContact O-CG1 3.35Å; A673-I677 PolarHBondContact O-N 3.27Å; A673-I677 VanDerWaalsContact O-N 3.1Å; A673-I699 HydrophobicContact CB-CD1 4.1Å; A673-I699 HydrophobicContact CB-CG1 4.21Å; A673-I699 HydrophobicContact CB-CG2 4.4Å; A673-Y705 HydrophobicContact CB-CD2 3.67Å; A673-Y705 HydrophobicContact CB-CG 4.05Å |
| 674 | Q | 78.2 | Confident | 81.6 | Confident | 27 Ų | 27 | 34.6 Ų | 34.6 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.3 | -38.2 | 170.7 | -65.1 | -171.2 | -9.2 | 0 | 0 | 111.5 | P466 L636 I640 D671 V672 T676 I677 A678 Y705 | P466-Q674 VanDerWaalsContact CG-NE2 3.32Å; L636-Q674 HydrophobicContact CD2-CB 3.9Å; I640-Q674 HydrophobicContact CD1-CB 4.05Å; D671-Q674 WeakPolarHBondContact O-CB 3.21Å; D671-Q674 PolarHBondContact O-N 2.99Å; V672-Q674 PolarHBondContact O-N 3.4Å; Q674-T676 VanDerWaalsContact C-N 3.33Å; Q674-I677 PolarHBondContact O-N 3.29Å; Q674-A678 WeakPolarHBondContact O-CB 3.46Å; Q674-A678 PolarHBondContact O-N 3Å; Q674-Y705 HydrophobicContact CG-CD1 3.92Å; Q674-Y705 HydrophobicContact CG-CD2 4.35Å; Q674-Y705 HydrophobicContact CG-CE1 3.46Å; Q674-Y705 VanDerWaalsContact CG-CE1 3.46Å; Q674-Y705 HydrophobicContact CG-CE2 3.9Å; Q674-Y705 HydrophobicContact CG-CG 4.34Å; Q674-Y705 VanDerWaalsContact CG-CZ 3.44Å; Q674-Y705 VanDerWaalsContact NE2-CE1 3.27Å; Q674-Y705 PolarHBondContact NE2-OH 3.31Å |
| 675 | V | 84.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 174 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | L636 A662 Y663 D671 V672 I677 A678 M679 | L636-V675 HydrophobicContact CD1-CG2 3.27Å; L636-V675 HydrophobicContact CD2-CG2 4.11Å; L636-V675 HydrophobicContact CG-CG2 4.37Å; A662-V675 HydrophobicContact CB-CG1 4.13Å; A662-V675 HydrophobicContact CB-CG2 4.13Å; Y663-V675 HydrophobicContact CD2-CG1 4.25Å; D671-V675 PolarHBondContact O-N 3.34Å; V672-V675 WeakPolarHBondContact O-CA 3.49Å; V672-V675 WeakPolarHBondContact O-CB 3.25Å; V672-V675 PolarHBondContact O-N 2.94Å; V675-I677 VanDerWaalsContact C-N 3.35Å; V675-I677 PolarHBondContact O-N 3.22Å; V675-A678 CarbonylContact O-C 3.54Å; V675-A678 WeakPolarHBondContact O-CB 3.44Å; V675-A678 PolarHBondContact O-N 2.94Å; V675-A678 VanDerWaalsContact O-N 3.16Å; V675-M679 HydrophobicContact CG1-CE 4.04Å; V675-M679 HydrophobicContact CG1-CG 4.38Å; V675-M679 HydrophobicContact CG1-SD 4.42Å; V675-M679 WeakPolarHBondContact O-CG 3.3Å; V675-M679 PolarHBondContact O-N 3.35Å |
| 676 | T | 86.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -35.3 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | Y663 V672 A673 Q674 M679 A680 I699 | Y663-T676 HydrophobicContact CD2-CG2 4.22Å; Y663-T676 HydrophobicContact CE2-CG2 3.79Å; V672-T676 HydrophobicContact CG1-CG2 4.22Å; V672-T676 WeakPolarHBondContact O-CG2 3.4Å; V672-T676 PolarHBondContact O-N 2.94Å; V672-T676 PolarHBondContact O-OG1 3.39Å; A673-T676 VanDerWaalsContact CA-OG1 3.28Å; A673-T676 WeakPolarHBondContact CA-OG1 3.46Å; A673-T676 PolarHBondContact O-OG1 3.11Å; Q674-T676 VanDerWaalsContact C-N 3.33Å; T676-M679 PolarHBondContact O-N 2.89Å; T676-A680 WeakPolarHBondContact O-CB 3.37Å; T676-A680 PolarHBondContact O-N 3.25Å; T676-I699 WeakPolarHBondContact OG1-CD1 3.49Å |
| 677 | I | 85.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 169.3 | -69.6 | 165 | 0 | 0 | 0 | 110.8 | A673 Q674 V675 M679 A680 N681 L696 I699 H712 | A673-I677 WeakPolarHBondContact O-CD1 3.49Å; A673-I677 WeakPolarHBondContact O-CG1 3.35Å; A673-I677 PolarHBondContact O-N 3.27Å; A673-I677 VanDerWaalsContact O-N 3.1Å; Q674-I677 PolarHBondContact O-N 3.29Å; V675-I677 VanDerWaalsContact C-N 3.35Å; V675-I677 PolarHBondContact O-N 3.22Å; I677-M679 PolarHBondContact O-N 3.26Å; I677-A680 WeakPolarHBondContact O-CB 3.48Å; I677-A680 PolarHBondContact O-N 3.35Å; I677-N681 PolarHBondContact O-N 3.14Å; I677-N681 PolarHBondContact O-ND2 2.94Å; I677-L696 HydrophobicContact CB-CD2 4.36Å; I677-L696 HydrophobicContact CG1-CD2 3.75Å; I677-I699 HydrophobicContact CD1-CD1 4.45Å; I677-I699 HydrophobicContact CG1-CD1 4.06Å; I677-H712 WeakPolarHBondContact CG2-NE2 3.41Å |
| 678 | A | 85 | Confident | 82.3 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I640 L659 Q674 V675 A680 N681 L682 | I640-A678 HydrophobicContact CG1-CB 4.33Å; I640-A678 HydrophobicContact CG2-CB 4.4Å; L659-A678 HydrophobicContact CD1-CB 4.25Å; L659-A678 HydrophobicContact CD2-CB 3.76Å; Q674-A678 WeakPolarHBondContact O-CB 3.46Å; Q674-A678 PolarHBondContact O-N 3Å; V675-A678 CarbonylContact O-C 3.54Å; V675-A678 WeakPolarHBondContact O-CB 3.44Å; V675-A678 PolarHBondContact O-N 2.94Å; V675-A678 VanDerWaalsContact O-N 3.16Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A678-N681 PolarHBondContact O-N 3Å; A678-L682 PolarHBondContact O-N 3.44Å |
| 679 | M | 89.3 | Confident | 83.2 | Confident | 41 Ų | 41 | 34.7 Ų | 34.7 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 173.1 | -74.6 | -178.4 | 169.7 | 0 | 0 | 111.8 | L659 Q660 Y663 V675 T676 I677 L682 A683 | L659-M679 VanDerWaalsContact C-CE 3.49Å; L659-M679 HydrophobicContact CB-CE 4.02Å; L659-M679 HydrophobicContact CB-CG 3.95Å; L659-M679 HydrophobicContact CD1-CB 4.5Å; L659-M679 HydrophobicContact CD1-CG 3.99Å; L659-M679 WeakPolarHBondContact O-CE 3.38Å; Q660-M679 HydrophobicContact CG-CE 4.33Å; Y663-M679 HydrophobicContact CD2-CE 4.14Å; Y663-M679 HydrophobicContact CD2-SD 4.25Å; Y663-M679 HydrophobicContact CG-CE 4.02Å; V675-M679 HydrophobicContact CG1-CE 4.04Å; V675-M679 HydrophobicContact CG1-CG 4.38Å; V675-M679 HydrophobicContact CG1-SD 4.42Å; V675-M679 WeakPolarHBondContact O-CG 3.3Å; V675-M679 PolarHBondContact O-N 3.35Å; T676-M679 PolarHBondContact O-N 2.89Å; I677-M679 PolarHBondContact O-N 3.26Å; M679-L682 PolarHBondContact O-N 3.14Å; M679-A683 WeakPolarHBondContact O-CB 3.12Å; M679-A683 PolarHBondContact O-N 3.02Å |
| 680 | A | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T676 I677 A678 L682 A683 L684 A692 T695 L696 | T676-A680 WeakPolarHBondContact O-CB 3.37Å; T676-A680 PolarHBondContact O-N 3.25Å; I677-A680 WeakPolarHBondContact O-CB 3.48Å; I677-A680 PolarHBondContact O-N 3.35Å; A678-A680 VanDerWaalsContact C-N 3.34Å; A680-L682 VanDerWaalsContact C-N 3.31Å; A680-L682 PolarHBondContact O-N 3Å; A680-A683 PolarHBondContact O-N 2.94Å; A680-L684 VanDerWaalsContact O-CG 3.31Å; A680-L684 WeakPolarHBondContact O-CG 3.25Å; A680-L684 PolarHBondContact O-N 3.43Å; A680-A692 HydrophobicContact CB-CB 4.24Å; A680-A692 WeakPolarHBondContact O-CB 3.32Å; A680-T695 WeakPolarHBondContact CB-OG1 3.35Å; A680-L696 HydrophobicContact CB-CD1 3.89Å; A680-L696 HydrophobicContact CB-CD2 3.82Å; A680-L696 HydrophobicContact CB-CG 3.56Å |
| 681 | N | 86.2 | Confident | 84.8 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 175.4 | -68.2 | -24.1 | 0 | 0 | 0 | 112.3 | I677 A678 L684 S685 | I677-N681 PolarHBondContact O-N 3.14Å; I677-N681 PolarHBondContact O-ND2 2.94Å; A678-N681 PolarHBondContact O-N 3Å; N681-L684 PolarHBondContact O-N 3.47Å; N681-S685 PolarHBondContact O-N 3.27Å; N681-S685 VanDerWaalsContact O-N 3.09Å |
| 682 | L | 87.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -45.3 | 174 | -175.4 | 66.2 | 0 | 0 | 0 | 111.7 | R647 A655 T656 L659 A678 M679 A680 L684 S685 Q686 | R647-L682 HydrophobicContact CB-CD1 4.45Å; R647-L682 HydrophobicContact CG-CD1 4.31Å; A655-L682 HydrophobicContact CB-CD1 3.7Å; A655-L682 HydrophobicContact CB-CD2 4.09Å; T656-L682 VanDerWaalsContact CA-CD2 3.45Å; T656-L682 HydrophobicContact CG2-CD2 4.49Å; T656-L682 WeakPolarHBondContact OG1-CD2 3.45Å; L659-L682 HydrophobicContact CD1-CB 3.97Å; L659-L682 HydrophobicContact CD1-CD2 3.76Å; L659-L682 HydrophobicContact CD1-CG 4.49Å; A678-L682 PolarHBondContact O-N 3.44Å; M679-L682 PolarHBondContact O-N 3.14Å; A680-L682 VanDerWaalsContact C-N 3.31Å; A680-L682 PolarHBondContact O-N 3Å; L682-L684 VanDerWaalsContact C-N 3.29Å; L682-L684 PolarHBondContact O-N 3.36Å; L682-S685 WeakPolarHBondContact O-CA 3.48Å; L682-S685 WeakPolarHBondContact O-CB 3.17Å; L682-S685 PolarHBondContact O-N 3.12Å; L682-S685 PolarHBondContact O-OG 3.45Å; L682-Q686 PolarHBondContact O-N 3.27Å; L682-Q686 VanDerWaalsContact O-N 3.12Å |
| 683 | A | 88.4 | Confident | 86.1 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | M679 A680 S685 Q686 N687 D688 T691 A692 | M679-A683 WeakPolarHBondContact O-CB 3.12Å; M679-A683 PolarHBondContact O-N 3.02Å; A680-A683 PolarHBondContact O-N 2.94Å; A683-S685 VanDerWaalsContact C-N 3.32Å; A683-S685 PolarHBondContact O-N 3.47Å; A683-Q686 CarbonylContact O-C 3.57Å; A683-Q686 WeakPolarHBondContact O-CA 3.35Å; A683-Q686 WeakPolarHBondContact O-CB 3.26Å; A683-Q686 PolarHBondContact O-N 3.49Å; A683-Q686 VanDerWaalsContact O-N 3.08Å; A683-N687 PolarHBondContact O-N 2.87Å; A683-D688 CarbonylContact C-O 3.58Å; A683-D688 PolarHBondContact O-N 2.87Å; A683-T691 WeakPolarHBondContact CB-OG1 3.46Å; A683-A692 HydrophobicContact CB-CB 3.9Å |
| 684 | L | 85.9 | Confident | 86.6 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 171.7 | -69.6 | 173.3 | 0 | 0 | 0 | 112.6 | A680 N681 L682 Q686 N687 A692 I716 | A680-L684 VanDerWaalsContact O-CG 3.31Å; A680-L684 WeakPolarHBondContact O-CG 3.25Å; A680-L684 PolarHBondContact O-N 3.43Å; N681-L684 PolarHBondContact O-N 3.47Å; L682-L684 VanDerWaalsContact C-N 3.29Å; L682-L684 PolarHBondContact O-N 3.36Å; L684-Q686 PolarHBondContact O-N 2.88Å; L684-N687 PolarHBondContact O-N 3.3Å; L684-A692 HydrophobicContact CD2-CB 3.84Å; L684-A692 HydrophobicContact CG-CB 3.83Å; L684-I716 HydrophobicContact CD1-CD1 3.77Å; L684-I716 HydrophobicContact CD1-CG1 3.56Å; L684-I716 HydrophobicContact CD2-CB 4.4Å; L684-I716 HydrophobicContact CD2-CD1 3.88Å; L684-I716 HydrophobicContact CD2-CG1 3.66Å; L684-I716 HydrophobicContact CD2-CG2 3.91Å; L684-I716 HydrophobicContact CG-CD1 4.11Å; L684-I716 HydrophobicContact CG-CG1 4.12Å |
| 685 | S | 83.4 | Confident | 87.1 | Confident | 41 Ų | 41 | 39.1 Ų | 39.1 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.8 | -21.7 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 113.6 | Q652 N681 L682 A683 N687 | Q652-S685 PolarHBondContact NE2-O 2.93Å; N681-S685 PolarHBondContact O-N 3.27Å; N681-S685 VanDerWaalsContact O-N 3.09Å; L682-S685 WeakPolarHBondContact O-CA 3.48Å; L682-S685 WeakPolarHBondContact O-CB 3.17Å; L682-S685 PolarHBondContact O-N 3.12Å; L682-S685 PolarHBondContact O-OG 3.45Å; A683-S685 VanDerWaalsContact C-N 3.32Å; A683-S685 PolarHBondContact O-N 3.47Å; S685-N687 VanDerWaalsContact C-N 3.27Å |
| 686 | Q | 85.1 | Confident | 87.2 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.5 | 172.3 | -66.1 | 171.2 | -6.8 | 0 | 0 | 112.6 | T656 L682 A683 L684 D688 | T656-Q686 PolarHBondContact OG1-NE2 3.26Å; L682-Q686 PolarHBondContact O-N 3.27Å; L682-Q686 VanDerWaalsContact O-N 3.12Å; A683-Q686 CarbonylContact O-C 3.57Å; A683-Q686 WeakPolarHBondContact O-CA 3.35Å; A683-Q686 WeakPolarHBondContact O-CB 3.26Å; A683-Q686 PolarHBondContact O-N 3.49Å; A683-Q686 VanDerWaalsContact O-N 3.08Å; L684-Q686 PolarHBondContact O-N 2.88Å; Q686-D688 PolarHBondContact O-N 3.23Å |
| 687 | N | 83.3 | Confident | 87.3 | Confident | 128 Ų | 128 | 45 Ų | 45 | 68% | 0.684 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 18 | -170.6 | -67.8 | -39.2 | 0 | 0 | 0 | 114.9 | A683 L684 S685 H689 | A683-N687 PolarHBondContact O-N 2.87Å; L684-N687 PolarHBondContact O-N 3.3Å; S685-N687 VanDerWaalsContact C-N 3.27Å; N687-H689 PolarHBondContact O-CE1 3.37Å; N687-H689 PolarHBondContact O-N 3.11Å; N687-H689 PolarHBondContact O-ND1 3.28Å |
| 688 | D | 88.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | trans | -94.5 | 92.9 | 176 | -172.2 | -7.1 | 0 | 0 | 0 | 110.6 | A683 Q686 E690 T691 A692 | A683-D688 CarbonylContact C-O 3.58Å; A683-D688 PolarHBondContact O-N 2.87Å; Q686-D688 PolarHBondContact O-N 3.23Å; D688-E690 PolarHBondContact OD1-N 3.25Å; D688-T691 WeakPolarHBondContact CB-OG1 3.48Å; D688-T691 PolarHBondContact O-OG1 3.04Å; D688-T691 PolarHBondContact OD1-N 3.28Å; D688-T691 VanDerWaalsContact OD1-N 3.15Å; D688-T691 PolarHBondContact OD1-OG1 3.32Å; D688-T691 WeakPolarHBondContact OD2-CB 3.28Å; D688-T691 WeakPolarHBondContact OD2-CG2 3.31Å; D688-T691 PolarHBondContact OD2-OG1 3.36Å; D688-A692 PolarHBondContact O-N 3.34Å | ||
| 689 | H | 88.5 | Confident | 87.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 22% | 0.222 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.1 | -27.1 | -175.2 | -53.4 | -3.7 | 0 | 0 | 0 | 111.8 | N687 L693 H720 R721 | N687-H689 PolarHBondContact O-CE1 3.37Å; N687-H689 PolarHBondContact O-N 3.11Å; N687-H689 PolarHBondContact O-ND1 3.28Å; H689-L693 WeakPolarHBondContact O-CB 3.34Å; H689-L693 WeakPolarHBondContact O-CD1 3.45Å; H689-L693 VanDerWaalsContact O-CG 3.23Å; H689-L693 WeakPolarHBondContact O-CG 3.47Å; H689-L693 PolarHBondContact O-N 3.33Å; H689-L693 VanDerWaalsContact O-N 3.1Å; H689-H720 AromaticContact CE1-ND1 3.98Å; H689-R721 HydrophobicContact CB-CG 4.39Å |
| 690 | E | 88.6 | Confident | 86.9 | Confident | 127 Ų | 127 | 54.4 Ų | 54.4 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -75.2 | -43.9 | -176.8 | -65.8 | -161.9 | 154.7 | 0 | 0 | 111.1 | D688 L693 N694 | D688-E690 PolarHBondContact OD1-N 3.25Å; E690-L693 PolarHBondContact O-N 3.06Å; E690-N694 WeakPolarHBondContact O-CB 3.49Å; E690-N694 PolarHBondContact O-N 3.28Å; E690-N694 PolarHBondContact O-ND2 3.26Å |
| 691 | T | 89.1 | Confident | 86.3 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | A683 D688 L693 N694 T695 | A683-T691 WeakPolarHBondContact CB-OG1 3.46Å; D688-T691 WeakPolarHBondContact CB-OG1 3.48Å; D688-T691 PolarHBondContact O-OG1 3.04Å; D688-T691 PolarHBondContact OD1-N 3.28Å; D688-T691 VanDerWaalsContact OD1-N 3.15Å; D688-T691 PolarHBondContact OD1-OG1 3.32Å; D688-T691 WeakPolarHBondContact OD2-CB 3.28Å; D688-T691 WeakPolarHBondContact OD2-CG2 3.31Å; D688-T691 PolarHBondContact OD2-OG1 3.36Å; T691-L693 VanDerWaalsContact C-N 3.31Å; T691-L693 PolarHBondContact O-N 3.41Å; T691-N694 PolarHBondContact O-N 2.88Å; T691-T695 WeakPolarHBondContact O-CG2 3.44Å; T691-T695 PolarHBondContact O-N 3.21Å; T691-T695 PolarHBondContact O-OG1 3.23Å; T691-T695 VanDerWaalsContact O-OG1 3.09Å |
| 692 | A | 88.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A680 A683 L684 D688 T695 L696 I716 | A680-A692 HydrophobicContact CB-CB 4.24Å; A680-A692 WeakPolarHBondContact O-CB 3.32Å; A683-A692 HydrophobicContact CB-CB 3.9Å; L684-A692 HydrophobicContact CD2-CB 3.84Å; L684-A692 HydrophobicContact CG-CB 3.83Å; D688-A692 PolarHBondContact O-N 3.34Å; A692-T695 PolarHBondContact O-OG1 3.25Å; A692-L696 WeakPolarHBondContact O-CD1 3.37Å; A692-L696 VanDerWaalsContact O-CG 3.28Å; A692-L696 WeakPolarHBondContact O-CG 2.94Å; A692-L696 PolarHBondContact O-N 2.91Å; A692-I716 HydrophobicContact CB-CD1 4.02Å |
| 693 | L | 89.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -38.9 | 176.8 | -73.5 | 169.3 | 0 | 0 | 0 | 112 | H689 E690 T691 R697 M713 I716 Y717 | H689-L693 WeakPolarHBondContact O-CB 3.34Å; H689-L693 WeakPolarHBondContact O-CD1 3.45Å; H689-L693 VanDerWaalsContact O-CG 3.23Å; H689-L693 WeakPolarHBondContact O-CG 3.47Å; H689-L693 PolarHBondContact O-N 3.33Å; H689-L693 VanDerWaalsContact O-N 3.1Å; E690-L693 PolarHBondContact O-N 3.06Å; T691-L693 VanDerWaalsContact C-N 3.31Å; T691-L693 PolarHBondContact O-N 3.41Å; L693-R697 WeakPolarHBondContact O-CB 3.47Å; L693-R697 WeakPolarHBondContact O-CG 3.41Å; L693-R697 PolarHBondContact O-N 3.1Å; L693-M713 HydrophobicContact CD2-CB 4.27Å; L693-M713 HydrophobicContact CD2-CG 4.29Å; L693-I716 HydrophobicContact CD1-CG2 4.16Å; L693-I716 HydrophobicContact CD2-CB 4.01Å; L693-I716 HydrophobicContact CD2-CD1 4.12Å; L693-I716 HydrophobicContact CD2-CG2 3.87Å; L693-I716 HydrophobicContact CG-CD1 4.49Å; L693-I716 HydrophobicContact CG-CG2 3.9Å; L693-Y717 HydrophobicContact CD1-CD1 4.16Å; L693-Y717 HydrophobicContact CD1-CE1 3.46Å; L693-Y717 VanDerWaalsContact CD1-CE1 3.46Å; L693-Y717 HydrophobicContact CD2-CD1 4.41Å; L693-Y717 HydrophobicContact CD2-CD2 4.41Å; L693-Y717 HydrophobicContact CD2-CE1 3.88Å; L693-Y717 HydrophobicContact CD2-CE2 3.9Å; L693-Y717 HydrophobicContact CG-CE1 4.33Å |
| 694 | N | 89.5 | Confident | 83.9 | Confident | 85 Ų | 85 | 67.1 Ų | 67.1 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 178.5 | -73.2 | -23.2 | 0 | 0 | 0 | 111.8 | E690 T691 Q698 | E690-N694 WeakPolarHBondContact O-CB 3.49Å; E690-N694 PolarHBondContact O-N 3.28Å; E690-N694 PolarHBondContact O-ND2 3.26Å; T691-N694 PolarHBondContact O-N 2.88Å; N694-Q698 WeakPolarHBondContact O-CG 3.39Å |
| 695 | T | 88.4 | Confident | 83.3 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | A680 T691 A692 R697 Q698 | A680-T695 WeakPolarHBondContact CB-OG1 3.35Å; T691-T695 WeakPolarHBondContact O-CG2 3.44Å; T691-T695 PolarHBondContact O-N 3.21Å; T691-T695 PolarHBondContact O-OG1 3.23Å; T691-T695 VanDerWaalsContact O-OG1 3.09Å; A692-T695 PolarHBondContact O-OG1 3.25Å; T695-R697 VanDerWaalsContact C-N 3.32Å; T695-R697 PolarHBondContact O-N 2.92Å; T695-Q698 WeakPolarHBondContact O-CB 3.34Å; T695-Q698 PolarHBondContact O-N 3.09Å |
| 696 | L | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 177.9 | -68.9 | 170.1 | 0 | 0 | 0 | 113 | I677 A680 A692 Q698 I699 A709 H712 M713 I716 | I677-L696 HydrophobicContact CB-CD2 4.36Å; I677-L696 HydrophobicContact CG1-CD2 3.75Å; A680-L696 HydrophobicContact CB-CD1 3.89Å; A680-L696 HydrophobicContact CB-CD2 3.82Å; A680-L696 HydrophobicContact CB-CG 3.56Å; A692-L696 WeakPolarHBondContact O-CD1 3.37Å; A692-L696 VanDerWaalsContact O-CG 3.28Å; A692-L696 WeakPolarHBondContact O-CG 2.94Å; A692-L696 PolarHBondContact O-N 2.91Å; L696-Q698 PolarHBondContact O-N 3.35Å; L696-I699 PolarHBondContact O-N 3.35Å; L696-A709 HydrophobicContact CD2-CB 4.32Å; L696-H712 HydrophobicContact CD1-CB 3.76Å; L696-H712 HydrophobicContact CD2-CB 4.16Å; L696-M713 HydrophobicContact CB-CG 3.4Å; L696-M713 VanDerWaalsContact CB-CG 3.4Å; L696-M713 HydrophobicContact CB-SD 3.9Å; L696-M713 HydrophobicContact CD1-CB 4.42Å; L696-M713 HydrophobicContact CD1-CG 3.62Å; L696-M713 HydrophobicContact CG-CG 4.14Å; L696-I716 HydrophobicContact CD1-CD1 3.55Å |
| 697 | R | 88.7 | Confident | 82.9 | Confident | 130 Ų | 130 | 64.8 Ų | 64.8 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -22.1 | 176.6 | -79.3 | 173.3 | -171.9 | -177 | 2.5 | 113.7 | L693 T695 I699 M713 Y717 | L693-R697 WeakPolarHBondContact O-CB 3.47Å; L693-R697 WeakPolarHBondContact O-CG 3.41Å; L693-R697 PolarHBondContact O-N 3.1Å; T695-R697 VanDerWaalsContact C-N 3.32Å; T695-R697 PolarHBondContact O-N 2.92Å; R697-I699 PolarHBondContact O-N 3.47Å; R697-M713 HydrophobicContact CG-CE 3.48Å; R697-M713 VanDerWaalsContact CG-CE 3.48Å; R697-M713 HydrophobicContact CG-SD 4.1Å; R697-Y717 PolarHBondContact NH2-OH 3.32Å |
| 698 | Q | 85.4 | Confident | 82.6 | Confident | 126 Ų | 126 | 60.8 Ų | 60.8 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.8 | 178.2 | -67 | 169.7 | -4.6 | 0 | 0 | 112.5 | N694 T695 L696 Q700 | N694-Q698 WeakPolarHBondContact O-CG 3.39Å; T695-Q698 WeakPolarHBondContact O-CB 3.34Å; T695-Q698 PolarHBondContact O-N 3.09Å; L696-Q698 PolarHBondContact O-N 3.35Å; Q698-Q700 PolarHBondContact O-N 3.15Å |
| 699 | I | 83.9 | Confident | 82.4 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -76.9 | 114.2 | 179.9 | -58.1 | 168.3 | 0 | 0 | 0 | 109.6 | A673 T676 I677 L696 R697 H703 A709 | A673-I699 HydrophobicContact CB-CD1 4.1Å; A673-I699 HydrophobicContact CB-CG1 4.21Å; A673-I699 HydrophobicContact CB-CG2 4.4Å; T676-I699 WeakPolarHBondContact OG1-CD1 3.49Å; I677-I699 HydrophobicContact CD1-CD1 4.45Å; I677-I699 HydrophobicContact CG1-CD1 4.06Å; L696-I699 PolarHBondContact O-N 3.35Å; R697-I699 PolarHBondContact O-N 3.47Å; I699-H703 HydrophobicContact CG2-CB 3.85Å; I699-A709 HydrophobicContact CB-CB 4.13Å; I699-A709 HydrophobicContact CD1-CB 3.43Å; I699-A709 VanDerWaalsContact CD1-CB 3.43Å; I699-A709 HydrophobicContact CG1-CB 4.37Å; I699-A709 HydrophobicContact CG2-CB 4.21Å |
| 700 | Q | 81.1 | Confident | 82.3 | Confident | 134 Ų | 134 | 56.2 Ų | 56.2 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | trans | -77.4 | 164.3 | 179.8 | -64.6 | -174.4 | -23.1 | 0 | 0 | 112.6 | Q698 D702 H703 Y706 | Q698-Q700 PolarHBondContact O-N 3.15Å; Q700-D702 PolarHBondContact O-N 3.44Å; Q700-H703 PolarHBondContact O-N 3.26Å; Q700-Y706 VanDerWaalsContact O-CD2 3.25Å; Q700-Y706 WeakPolarHBondContact O-CD2 3.37Å | ||
| 701 | A | 75.4 | Confident | 82.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H703 Y706 K737 | A701-H703 PolarHBondContact O-N 3.23Å; A701-Y706 HydrophobicContact CB-CD1 4.4Å; A701-Y706 HydrophobicContact CB-CD2 4.5Å; A701-Y706 HydrophobicContact CB-CE1 4.23Å; A701-Y706 HydrophobicContact CB-CE2 4.33Å; A701-K737 HydrophobicContact CB-CD 3.85Å |
| 702 | D | 71.1 | Confident | 81.9 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 79% | 0.791 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.4 | -178.2 | -54.7 | -25.3 | 0 | 0 | 0 | 112.6 | Q700 | Q700-D702 PolarHBondContact O-N 3.44Š|
| 703 | H | 72.8 | Confident | 81.9 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -78.3 | 138.7 | 179.1 | -96.7 | -83.3 | 0 | 0 | 0 | 112.1 | I699 Q700 A701 Y705 Y706 | I699-H703 HydrophobicContact CG2-CB 3.85Å; Q700-H703 PolarHBondContact O-N 3.26Å; A701-H703 PolarHBondContact O-N 3.23Å; H703-Y705 PolarHBondContact O-N 3.39Å; H703-Y705 VanDerWaalsContact O-N 3.1Å; H703-Y706 WeakPolarHBondContact O-CB 3.45Å; H703-Y706 PolarHBondContact O-N 2.71Å |
| 704 | P | 68.5 | Low | 81.8 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28 | 174.2 | -27.8 | 36.9 | 0 | 0 | 0 | 114.4 | V670 Y706 | V670-P704 VanDerWaalsContact CG1-CD 3.46Å; V670-P704 HydrophobicContact CG1-CG 3.68Å; P704-Y706 VanDerWaalsContact C-N 3.3Å; P704-Y706 PolarHBondContact O-N 3.29Å |
| 705 | Y | 72.6 | Confident | 81.6 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 10.8 | 178.7 | -57.4 | -74.5 | 0 | 0 | 0 | 113.4 | P466 V670 A673 Q674 H703 I707 T708 A709 | P466-Y705 WeakPolarHBondContact CG-OH 3.41Å; V670-Y705 HydrophobicContact CG1-CD2 4.49Å; V670-Y705 HydrophobicContact CG1-CE2 4.19Å; V670-Y705 WeakPolarHBondContact O-CE2 2.84Å; A673-Y705 HydrophobicContact CB-CD2 3.67Å; A673-Y705 HydrophobicContact CB-CG 4.05Å; Q674-Y705 HydrophobicContact CG-CD1 3.92Å; Q674-Y705 HydrophobicContact CG-CD2 4.35Å; Q674-Y705 HydrophobicContact CG-CE1 3.46Å; Q674-Y705 VanDerWaalsContact CG-CE1 3.46Å; Q674-Y705 HydrophobicContact CG-CE2 3.9Å; Q674-Y705 HydrophobicContact CG-CG 4.34Å; Q674-Y705 VanDerWaalsContact CG-CZ 3.44Å; Q674-Y705 VanDerWaalsContact NE2-CE1 3.27Å; Q674-Y705 PolarHBondContact NE2-OH 3.31Å; H703-Y705 PolarHBondContact O-N 3.39Å; H703-Y705 VanDerWaalsContact O-N 3.1Å; Y705-I707 PolarHBondContact O-N 3.19Å; Y705-T708 WeakPolarHBondContact CA-OG1 3.48Å; Y705-T708 PolarHBondContact O-N 3.41Å; Y705-T708 PolarHBondContact O-OG1 3.1Å; Y705-A709 WeakPolarHBondContact O-CB 3.5Å; Y705-A709 PolarHBondContact O-N 3.38Å |
| 706 | Y | 81.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 179 | -178.6 | -112.1 | 0 | 0 | 0 | 111.9 | Q700 A701 H703 P704 A709 R710 K737 | Q700-Y706 VanDerWaalsContact O-CD2 3.25Å; Q700-Y706 WeakPolarHBondContact O-CD2 3.37Å; A701-Y706 HydrophobicContact CB-CD1 4.4Å; A701-Y706 HydrophobicContact CB-CD2 4.5Å; A701-Y706 HydrophobicContact CB-CE1 4.23Å; A701-Y706 HydrophobicContact CB-CE2 4.33Å; H703-Y706 WeakPolarHBondContact O-CB 3.45Å; H703-Y706 PolarHBondContact O-N 2.71Å; P704-Y706 VanDerWaalsContact C-N 3.3Å; P704-Y706 PolarHBondContact O-N 3.29Å; Y706-A709 PolarHBondContact O-N 3.18Å; Y706-R710 HydrophobicContact CD2-CG 4.4Å; Y706-R710 HydrophobicContact CE1-CG 4.13Å; Y706-R710 HydrophobicContact CE2-CG 4.04Å; Y706-R710 WeakPolarHBondContact O-CG 3.47Å; Y706-R710 PolarHBondContact O-N 3.4Å; Y706-R710 PolarHBondContact OH-NE 2.95Å; Y706-R710 PolarHBondContact OH-NH2 3.28Å; Y706-K737 WeakPolarHBondContact OH-CD 3.28Å; Y706-K737 PolarHBondContact OH-NZ 3.47Å |
| 707 | I | 78.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 29% | 0.292 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 179.1 | -62.2 | 170.7 | 0 | 0 | 0 | 110.5 | Y705 A709 R710 Q711 L734 L738 L746 | Y705-I707 PolarHBondContact O-N 3.19Å; I707-A709 VanDerWaalsContact C-N 3.35Å; I707-A709 PolarHBondContact O-N 3.24Å; I707-R710 PolarHBondContact O-N 3.37Å; I707-Q711 WeakPolarHBondContact O-CG 3.43Å; I707-Q711 PolarHBondContact O-N 3.01Å; I707-L734 HydrophobicContact CB-CD1 4.3Å; I707-L734 HydrophobicContact CG1-CD1 4.16Å; I707-L734 HydrophobicContact CG2-CD1 4.22Å; I707-L738 HydrophobicContact CD1-CD1 3.96Å; I707-L738 HydrophobicContact CG1-CD1 3.8Å; I707-L746 HydrophobicContact CG2-CD1 4.34Å |
| 708 | T | 76.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | Y705 R710 Q711 H712 | Y705-T708 WeakPolarHBondContact CA-OG1 3.48Å; Y705-T708 PolarHBondContact O-N 3.41Å; Y705-T708 PolarHBondContact O-OG1 3.1Å; T708-R710 PolarHBondContact O-N 3.36Å; T708-Q711 WeakPolarHBondContact O-CB 3.5Å; T708-Q711 PolarHBondContact O-N 2.69Å; T708-H712 PolarHBondContact O-CD2 2.62Å; T708-H712 PolarHBondContact O-N 3.02Å |
| 709 | A | 84.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L696 I699 Y705 Y706 I707 H712 M713 | L696-A709 HydrophobicContact CD2-CB 4.32Å; I699-A709 HydrophobicContact CB-CB 4.13Å; I699-A709 HydrophobicContact CD1-CB 3.43Å; I699-A709 VanDerWaalsContact CD1-CB 3.43Å; I699-A709 HydrophobicContact CG1-CB 4.37Å; I699-A709 HydrophobicContact CG2-CB 4.21Å; Y705-A709 WeakPolarHBondContact O-CB 3.5Å; Y705-A709 PolarHBondContact O-N 3.38Å; Y706-A709 PolarHBondContact O-N 3.18Å; I707-A709 VanDerWaalsContact C-N 3.35Å; I707-A709 PolarHBondContact O-N 3.24Å; A709-H712 PolarHBondContact O-N 3.45Å; A709-M713 WeakPolarHBondContact O-CG 3.49Å; A709-M713 PolarHBondContact O-N 3.4Å |
| 710 | R | 86.7 | Confident | 81.5 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 176.7 | -66.3 | -40.3 | -174.9 | 101.4 | -10.8 | 113 | Y706 I707 T708 M713 A714 E733 L734 | Y706-R710 HydrophobicContact CD2-CG 4.4Å; Y706-R710 HydrophobicContact CE1-CG 4.13Å; Y706-R710 HydrophobicContact CE2-CG 4.04Å; Y706-R710 WeakPolarHBondContact O-CG 3.47Å; Y706-R710 PolarHBondContact O-N 3.4Å; Y706-R710 PolarHBondContact OH-NE 2.95Å; Y706-R710 PolarHBondContact OH-NH2 3.28Å; I707-R710 PolarHBondContact O-N 3.37Å; T708-R710 PolarHBondContact O-N 3.36Å; R710-M713 PolarHBondContact O-N 3.19Å; R710-A714 VanDerWaalsContact O-CB 3.29Å; R710-A714 WeakPolarHBondContact O-CB 3.39Å; R710-A714 PolarHBondContact O-N 2.84Å; R710-E733 IonicContact CZ-OE1 3.7Å; R710-E733 IonicContact CZ-OE2 2.77Å; R710-E733 IonicContact NH1-OE1 2.88Å; R710-E733 PolarHBondContact NH1-OE1 3.39Å; R710-E733 IonicContact NH1-OE2 3.77Å; R710-E733 PolarHBondContact NH1-OE2 2.9Å; R710-E733 IonicContact NH2-OE1 3.73Å; R710-E733 PolarHBondContact NH2-OE1 3.44Å; R710-E733 IonicContact NH2-OE2 2.68Å; R710-E733 PolarHBondContact NH2-OE2 3.29Å; R710-L734 HydrophobicContact CB-CD1 3.78Å; R710-L734 HydrophobicContact CG-CD1 4.12Å |
| 711 | Q | 84.6 | Confident | 81.7 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 171.5 | -73.1 | 174.3 | -18.9 | 0 | 0 | 111.6 | I707 T708 A714 N715 Y731 | I707-Q711 WeakPolarHBondContact O-CG 3.43Å; I707-Q711 PolarHBondContact O-N 3.01Å; T708-Q711 WeakPolarHBondContact O-CB 3.5Å; T708-Q711 PolarHBondContact O-N 2.69Å; Q711-A714 PolarHBondContact O-N 3.22Å; Q711-N715 WeakPolarHBondContact O-CB 3.27Å; Q711-N715 VanDerWaalsContact O-CG 3.22Å; Q711-N715 PolarHBondContact O-N 3.3Å; Q711-N715 PolarHBondContact O-ND2 3.16Å; Q711-Y731 HydrophobicContact CG-CE1 4.28Å |
| 712 | H | 84 | Confident | 82.1 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.1 | -79.7 | -75.8 | 0 | 0 | 0 | 111.1 | I677 L696 T708 A709 A714 N715 I716 | I677-H712 WeakPolarHBondContact CG2-NE2 3.41Å; L696-H712 HydrophobicContact CD1-CB 3.76Å; L696-H712 HydrophobicContact CD2-CB 4.16Å; T708-H712 PolarHBondContact O-CD2 2.62Å; T708-H712 PolarHBondContact O-N 3.02Å; A709-H712 PolarHBondContact O-N 3.45Å; H712-A714 VanDerWaalsContact C-N 3.34Å; H712-A714 PolarHBondContact O-N 3.3Å; H712-N715 PolarHBondContact O-N 2.91Å; H712-I716 VanDerWaalsContact O-CG1 3.26Å; H712-I716 WeakPolarHBondContact O-CG1 3.37Å; H712-I716 PolarHBondContact O-N 3.11Å |
| 713 | M | 89.5 | Confident | 82.9 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 175.3 | -71.9 | 177.5 | 64.4 | 0 | 0 | 112.1 | L693 L696 R697 A709 R710 I716 Y717 | L693-M713 HydrophobicContact CD2-CB 4.27Å; L693-M713 HydrophobicContact CD2-CG 4.29Å; L696-M713 HydrophobicContact CB-CG 3.4Å; L696-M713 VanDerWaalsContact CB-CG 3.4Å; L696-M713 HydrophobicContact CB-SD 3.9Å; L696-M713 HydrophobicContact CD1-CB 4.42Å; L696-M713 HydrophobicContact CD1-CG 3.62Å; L696-M713 HydrophobicContact CG-CG 4.14Å; R697-M713 HydrophobicContact CG-CE 3.48Å; R697-M713 VanDerWaalsContact CG-CE 3.48Å; R697-M713 HydrophobicContact CG-SD 4.1Å; A709-M713 WeakPolarHBondContact O-CG 3.49Å; A709-M713 PolarHBondContact O-N 3.4Å; R710-M713 PolarHBondContact O-N 3.19Å; M713-I716 WeakPolarHBondContact O-CB 3.44Å; M713-I716 PolarHBondContact O-N 3.41Å; M713-Y717 HydrophobicContact CB-CE2 4.41Å; M713-Y717 HydrophobicContact CE-CE2 4.25Å; M713-Y717 WeakPolarHBondContact O-CD2 3.44Å; M713-Y717 PolarHBondContact O-N 3.42Å |
| 714 | A | 87 | Confident | 83.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | R710 Q711 H712 I716 Y717 L718 Y727 C730 Y731 | R710-A714 VanDerWaalsContact O-CB 3.29Å; R710-A714 WeakPolarHBondContact O-CB 3.39Å; R710-A714 PolarHBondContact O-N 2.84Å; Q711-A714 PolarHBondContact O-N 3.22Å; H712-A714 VanDerWaalsContact C-N 3.34Å; H712-A714 PolarHBondContact O-N 3.3Å; A714-I716 VanDerWaalsContact C-N 3.26Å; A714-I716 PolarHBondContact O-N 3.34Å; A714-Y717 PolarHBondContact O-N 2.91Å; A714-L718 PolarHBondContact O-N 3.33Å; A714-Y727 HydrophobicContact CB-CD2 3.63Å; A714-Y727 HydrophobicContact CB-CE2 3.84Å; A714-Y727 HydrophobicContact CB-CG 4.42Å; A714-Y727 VanDerWaalsContact O-CD2 3.29Å; A714-Y727 WeakPolarHBondContact O-CD2 3.44Å; A714-C730 HydrophobicContact CB-CB 4.15Å; A714-Y731 HydrophobicContact CB-CD2 4.18Å; A714-Y731 HydrophobicContact CB-CE2 3.45Å; A714-Y731 VanDerWaalsContact CB-CE2 3.45Å |
| 715 | N | 85.5 | Confident | 84.6 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 176.7 | -71 | -16.9 | 0 | 0 | 0 | 112.2 | Q711 H712 L718 Y719 | Q711-N715 WeakPolarHBondContact O-CB 3.27Å; Q711-N715 VanDerWaalsContact O-CG 3.22Å; Q711-N715 PolarHBondContact O-N 3.3Å; Q711-N715 PolarHBondContact O-ND2 3.16Å; H712-N715 PolarHBondContact O-N 2.91Å; N715-L718 PolarHBondContact O-N 2.74Å; N715-Y719 HydrophobicContact CB-CD2 4.28Å; N715-Y719 WeakPolarHBondContact O-CB 3.2Å; N715-Y719 WeakPolarHBondContact O-CD2 3.42Å; N715-Y719 PolarHBondContact O-N 2.97Å |
| 716 | I | 87.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -63.2 | -47 | 173.8 | -62.2 | 167.8 | 0 | 0 | 0 | 111.2 | L684 A692 L693 L696 H712 M713 A714 L718 H720 R721 | L684-I716 HydrophobicContact CD1-CD1 3.77Å; L684-I716 HydrophobicContact CD1-CG1 3.56Å; L684-I716 HydrophobicContact CD2-CB 4.4Å; L684-I716 HydrophobicContact CD2-CD1 3.88Å; L684-I716 HydrophobicContact CD2-CG1 3.66Å; L684-I716 HydrophobicContact CD2-CG2 3.91Å; L684-I716 HydrophobicContact CG-CD1 4.11Å; L684-I716 HydrophobicContact CG-CG1 4.12Å; A692-I716 HydrophobicContact CB-CD1 4.02Å; L693-I716 HydrophobicContact CD1-CG2 4.16Å; L693-I716 HydrophobicContact CD2-CB 4.01Å; L693-I716 HydrophobicContact CD2-CD1 4.12Å; L693-I716 HydrophobicContact CD2-CG2 3.87Å; L693-I716 HydrophobicContact CG-CD1 4.49Å; L693-I716 HydrophobicContact CG-CG2 3.9Å; L696-I716 HydrophobicContact CD1-CD1 3.55Å; H712-I716 VanDerWaalsContact O-CG1 3.26Å; H712-I716 WeakPolarHBondContact O-CG1 3.37Å; H712-I716 PolarHBondContact O-N 3.11Å; M713-I716 WeakPolarHBondContact O-CB 3.44Å; M713-I716 PolarHBondContact O-N 3.41Å; A714-I716 VanDerWaalsContact C-N 3.26Å; A714-I716 PolarHBondContact O-N 3.34Å; I716-L718 VanDerWaalsContact C-N 3.31Å; I716-L718 PolarHBondContact O-N 2.99Å; I716-H720 HydrophobicContact CG2-CB 4.34Å; I716-H720 WeakPolarHBondContact O-CB 3.46Å; I716-H720 PolarHBondContact O-N 3.47Å; I716-H720 VanDerWaalsContact O-N 3.09Å; I716-R721 PolarHBondContact O-N 3.25Å |
| 717 | Y | 89.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -63 | -36.4 | 177.5 | -69.4 | -53.2 | 0 | 0 | 0 | 112.6 | L693 R697 M713 A714 K722 E723 L726 C730 | L693-Y717 HydrophobicContact CD1-CD1 4.16Å; L693-Y717 HydrophobicContact CD1-CE1 3.46Å; L693-Y717 VanDerWaalsContact CD1-CE1 3.46Å; L693-Y717 HydrophobicContact CD2-CD1 4.41Å; L693-Y717 HydrophobicContact CD2-CD2 4.41Å; L693-Y717 HydrophobicContact CD2-CE1 3.88Å; L693-Y717 HydrophobicContact CD2-CE2 3.9Å; L693-Y717 HydrophobicContact CG-CE1 4.33Å; R697-Y717 PolarHBondContact NH2-OH 3.32Å; M713-Y717 HydrophobicContact CB-CE2 4.41Å; M713-Y717 HydrophobicContact CE-CE2 4.25Å; M713-Y717 WeakPolarHBondContact O-CD2 3.44Å; M713-Y717 PolarHBondContact O-N 3.42Å; A714-Y717 PolarHBondContact O-N 2.91Å; Y717-K722 CarbonylContact O-C 3.41Å; Y717-K722 WeakPolarHBondContact O-CA 3.41Å; Y717-K722 PolarHBondContact O-N 3.3Å; Y717-E723 PolarHBondContact O-N 2.94Å; Y717-L726 HydrophobicContact CD1-CB 3.6Å; Y717-L726 HydrophobicContact CD1-CD1 3.65Å; Y717-L726 HydrophobicContact CD1-CG 4.28Å; Y717-L726 HydrophobicContact CD2-CB 3.79Å; Y717-L726 HydrophobicContact CE1-CB 3.82Å; Y717-L726 HydrophobicContact CE1-CD1 3.24Å; Y717-L726 HydrophobicContact CE1-CG 4.17Å; Y717-L726 HydrophobicContact CE2-CB 3.97Å; Y717-L726 HydrophobicContact CG-CB 3.6Å; Y717-L726 HydrophobicContact CG-CD1 4.49Å; Y717-C730 WeakPolarHBondContact CE2-SG 3.44Å |
| 718 | L | 87.3 | Confident | 86.2 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -78 | -53.3 | -178.5 | -173.3 | 66.1 | 0 | 0 | 0 | 113.2 | A714 N715 I716 K722 Y727 | A714-L718 PolarHBondContact O-N 3.33Å; N715-L718 PolarHBondContact O-N 2.74Å; I716-L718 VanDerWaalsContact C-N 3.31Å; I716-L718 PolarHBondContact O-N 2.99Å; L718-K722 WeakPolarHBondContact O-CA 3.21Å; L718-Y727 HydrophobicContact CB-CD2 3.65Å; L718-Y727 HydrophobicContact CB-CE2 4.02Å; L718-Y727 HydrophobicContact CB-CG 4.42Å; L718-Y727 HydrophobicContact CD2-CD2 4.26Å; L718-Y727 HydrophobicContact CD2-CE2 3.83Å; L718-Y727 HydrophobicContact CG-CD2 4.36Å; L718-Y727 HydrophobicContact CG-CE2 4.42Å |
| 719 | Y | 84.3 | Confident | 86.8 | Confident | 162 Ų | 162 | 57.4 Ų | 57.4 | 64% | 0.635 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -87.5 | -39.3 | -170.7 | -68.5 | -69.2 | 0 | 0 | 0 | 113.3 | N715 | N715-Y719 HydrophobicContact CB-CD2 4.28Å; N715-Y719 WeakPolarHBondContact O-CB 3.2Å; N715-Y719 WeakPolarHBondContact O-CD2 3.42Å; N715-Y719 PolarHBondContact O-N 2.97Å |
| 720 | H | 82.5 | Confident | 87 | Confident | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.375 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -92.8 | -55.4 | -174.6 | -66.1 | -88.7 | 0 | 0 | 0 | 112 | H689 I716 | H689-H720 AromaticContact CE1-ND1 3.98Å; I716-H720 HydrophobicContact CG2-CB 4.34Å; I716-H720 WeakPolarHBondContact O-CB 3.46Å; I716-H720 PolarHBondContact O-N 3.47Å; I716-H720 VanDerWaalsContact O-N 3.09Å |
| 721 | R | 85.1 | Confident | 87.1 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -83 | -19.9 | -179.7 | -66.9 | -174.4 | 66.3 | 149.2 | 4.1 | 114.1 | H689 I716 E723 | H689-R721 HydrophobicContact CB-CG 4.39Å; I716-R721 PolarHBondContact O-N 3.25Å; R721-E723 HydrophobicContact CB-CB 4.38Å; R721-E723 HydrophobicContact CB-CG 4.07Å; R721-E723 IonicContact CZ-OE1 2.86Å; R721-E723 IonicContact NE-OE1 3.75Å; R721-E723 PolarHBondContact NE-OE1 3.2Å; R721-E723 IonicContact NE-OE2 3Å; R721-E723 IonicContact NH2-OE1 2.69Å; R721-E723 PolarHBondContact NH2-OE1 3.44Å; R721-E723 IonicContact NH2-OE2 3.82Å; R721-E723 PolarHBondContact O-N 2.95Å |
| 722 | K | 84.3 | Confident | 87.3 | Confident | 167 Ų | 167 | 61.3 Ų | 61.3 | 73% | 0.726 | 28% | 0.277 | S | S | * | . | trans | 57.5 | 28 | -175.2 | -55.6 | 177.6 | -179.1 | 176.3 | 0 | 113.8 | Y717 L718 K724 | Y717-K722 CarbonylContact O-C 3.41Å; Y717-K722 WeakPolarHBondContact O-CA 3.41Å; Y717-K722 PolarHBondContact O-N 3.3Å; L718-K722 WeakPolarHBondContact O-CA 3.21Å; K722-K724 PolarHBondContact O-N 3.19Å | ||
| 723 | E | 88.3 | Confident | 87.5 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | trans | -95.9 | 86.7 | -178.1 | -71.4 | 179.5 | -145.5 | 0 | 0 | 111.5 | Y717 R721 K725 L726 Y727 | Y717-E723 PolarHBondContact O-N 2.94Å; R721-E723 HydrophobicContact CB-CB 4.38Å; R721-E723 HydrophobicContact CB-CG 4.07Å; R721-E723 IonicContact CZ-OE1 2.86Å; R721-E723 IonicContact NE-OE1 3.75Å; R721-E723 PolarHBondContact NE-OE1 3.2Å; R721-E723 IonicContact NE-OE2 3Å; R721-E723 IonicContact NH2-OE1 2.69Å; R721-E723 PolarHBondContact NH2-OE1 3.44Å; R721-E723 IonicContact NH2-OE2 3.82Å; R721-E723 PolarHBondContact O-N 2.95Å; E723-K725 VanDerWaalsContact C-N 3.3Å; E723-K725 PolarHBondContact O-N 2.94Å; E723-L726 HydrophobicContact CB-CB 4.4Å; E723-L726 HydrophobicContact CB-CG 4.46Å; E723-L726 PolarHBondContact O-N 3.21Å; E723-L726 WeakPolarHBondContact OE2-CD1 3.45Å; E723-Y727 PolarHBondContact O-N 3.16Å | ||
| 724 | K | 87.2 | Confident | 87.3 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.9 | -39.9 | -179 | -67.7 | 173.2 | 165 | -154.3 | 0 | 113.9 | K722 Y727 T728 I754 | K722-K724 PolarHBondContact O-N 3.19Å; K724-Y727 WeakPolarHBondContact O-CB 3.28Å; K724-Y727 PolarHBondContact O-N 3.23Å; K724-T728 PolarHBondContact O-N 3.47Å; K724-I754 HydrophobicContact CB-CD1 4.33Å; K724-I754 HydrophobicContact CB-CG1 4.28Å; K724-I754 HydrophobicContact CB-CG2 3.87Å; K724-I754 HydrophobicContact CD-CG2 3.9Å; K724-I754 HydrophobicContact CG-CG1 4.38Å; K724-I754 HydrophobicContact CG-CG2 4.04Å; K724-I754 PolarHBondContact NZ-O 3.37Å; K724-I754 VanDerWaalsContact O-CD1 3.28Å; K724-I754 WeakPolarHBondContact O-CD1 3.46Å |
| 725 | K | 88.4 | Confident | 87.1 | Confident | 177 Ų | 177 | 61.5 Ų | 61.5 | 77% | 0.77 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | -178.7 | -67.9 | -176.1 | -179.8 | 179.3 | 0 | 111.8 | E723 Y727 T728 A729 | E723-K725 VanDerWaalsContact C-N 3.3Å; E723-K725 PolarHBondContact O-N 2.94Å; K725-Y727 VanDerWaalsContact C-N 3.33Å; K725-Y727 PolarHBondContact O-N 2.58Å; K725-T728 PolarHBondContact O-N 3Å; K725-T728 PolarHBondContact O-OG1 3.44Å; K725-A729 PolarHBondContact O-N 3.42Å |
| 726 | L | 89.3 | Confident | 87.1 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.1 | -32.8 | 179.2 | -65.4 | -170.7 | 0 | 0 | 0 | 112.4 | Y717 E723 A729 C730 | Y717-L726 HydrophobicContact CD1-CB 3.6Å; Y717-L726 HydrophobicContact CD1-CD1 3.65Å; Y717-L726 HydrophobicContact CD1-CG 4.28Å; Y717-L726 HydrophobicContact CD2-CB 3.79Å; Y717-L726 HydrophobicContact CE1-CB 3.82Å; Y717-L726 HydrophobicContact CE1-CD1 3.24Å; Y717-L726 HydrophobicContact CE1-CG 4.17Å; Y717-L726 HydrophobicContact CE2-CB 3.97Å; Y717-L726 HydrophobicContact CG-CB 3.6Å; Y717-L726 HydrophobicContact CG-CD1 4.49Å; E723-L726 HydrophobicContact CB-CB 4.4Å; E723-L726 HydrophobicContact CB-CG 4.46Å; E723-L726 PolarHBondContact O-N 3.21Å; E723-L726 WeakPolarHBondContact OE2-CD1 3.45Å; L726-A729 WeakPolarHBondContact O-CB 3.47Å; L726-A729 PolarHBondContact O-N 3.4Å; L726-C730 PolarHBondContact O-N 2.91Å |
| 727 | Y | 89.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.8 | -48.9 | 170.7 | 174.1 | -84.5 | 0 | 0 | 0 | 111.8 | A714 L718 E723 K724 K725 A729 C730 Y731 A750 T753 I754 | A714-Y727 HydrophobicContact CB-CD2 3.63Å; A714-Y727 HydrophobicContact CB-CE2 3.84Å; A714-Y727 HydrophobicContact CB-CG 4.42Å; A714-Y727 VanDerWaalsContact O-CD2 3.29Å; A714-Y727 WeakPolarHBondContact O-CD2 3.44Å; L718-Y727 HydrophobicContact CB-CD2 3.65Å; L718-Y727 HydrophobicContact CB-CE2 4.02Å; L718-Y727 HydrophobicContact CB-CG 4.42Å; L718-Y727 HydrophobicContact CD2-CD2 4.26Å; L718-Y727 HydrophobicContact CD2-CE2 3.83Å; L718-Y727 HydrophobicContact CG-CD2 4.36Å; L718-Y727 HydrophobicContact CG-CE2 4.42Å; E723-Y727 PolarHBondContact O-N 3.16Å; K724-Y727 WeakPolarHBondContact O-CB 3.28Å; K724-Y727 PolarHBondContact O-N 3.23Å; K725-Y727 VanDerWaalsContact C-N 3.33Å; K725-Y727 PolarHBondContact O-N 2.58Å; Y727-A729 VanDerWaalsContact C-N 3.29Å; Y727-A729 PolarHBondContact O-N 3.49Å; Y727-C730 PolarHBondContact O-N 3.42Å; Y727-Y731 HydrophobicContact CD1-CD2 4.33Å; Y727-Y731 HydrophobicContact CD1-CE2 4.35Å; Y727-Y731 HydrophobicContact CD2-CE2 4.27Å; Y727-Y731 HydrophobicContact CE1-CD2 4.18Å; Y727-Y731 AromaticContact CE1-CE2 3.95Å; Y727-Y731 HydrophobicContact CE1-CE2 3.95Å; Y727-Y731 AromaticContact CE2-CE2 3.75Å; Y727-Y731 HydrophobicContact CE2-CE2 3.75Å; Y727-Y731 AromaticContact CZ-CE2 3.6Å; Y727-Y731 WeakPolarHBondContact O-CD2 3.44Å; Y727-A750 HydrophobicContact CD1-CB 4.13Å; Y727-A750 HydrophobicContact CE1-CB 3.44Å; Y727-A750 VanDerWaalsContact CE1-CB 3.44Å; Y727-A750 WeakPolarHBondContact CE1-O 3.48Å; Y727-T753 VanDerWaalsContact CE1-OG1 3.22Å; Y727-T753 WeakPolarHBondContact CE1-OG1 3.49Å; Y727-T753 VanDerWaalsContact CZ-OG1 3.31Å; Y727-T753 PolarHBondContact OH-OG1 3.06Å; Y727-I754 HydrophobicContact CD1-CD1 3.15Å; Y727-I754 HydrophobicContact CD1-CG1 3.76Å; Y727-I754 HydrophobicContact CE1-CD1 3.73Å; Y727-I754 HydrophobicContact CE1-CG1 3.98Å; Y727-I754 HydrophobicContact CG-CD1 4.04Å |
| 728 | T | 88.8 | Confident | 86.3 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | K724 K725 C730 Y731 R732 Y751 I754 | K724-T728 PolarHBondContact O-N 3.47Å; K725-T728 PolarHBondContact O-N 3Å; K725-T728 PolarHBondContact O-OG1 3.44Å; T728-C730 VanDerWaalsContact C-N 3.3Å; T728-C730 PolarHBondContact O-N 3.06Å; T728-Y731 PolarHBondContact O-N 3.49Å; T728-R732 WeakPolarHBondContact O-CB 3.48Å; T728-R732 PolarHBondContact O-N 2.79Å; T728-Y751 HydrophobicContact CG2-CD1 3.99Å; T728-Y751 HydrophobicContact CG2-CE1 3.7Å; T728-I754 HydrophobicContact CG2-CD1 3.11Å |
| 729 | A | 89.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K725 L726 Y727 Y731 R732 E733 | K725-A729 PolarHBondContact O-N 3.42Å; L726-A729 WeakPolarHBondContact O-CB 3.47Å; L726-A729 PolarHBondContact O-N 3.4Å; Y727-A729 VanDerWaalsContact C-N 3.29Å; Y727-A729 PolarHBondContact O-N 3.49Å; A729-Y731 PolarHBondContact O-N 2.94Å; A729-R732 PolarHBondContact O-N 3.27Å; A729-E733 WeakPolarHBondContact O-CB 3.45Å; A729-E733 PolarHBondContact O-N 3.34Å |
| 730 | C | 87.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.2 | -75 | 0 | 0 | 0 | 0 | 112.9 | A714 Y717 L726 Y727 T728 L734 | A714-C730 HydrophobicContact CB-CB 4.15Å; Y717-C730 WeakPolarHBondContact CE2-SG 3.44Å; L726-C730 PolarHBondContact O-N 2.91Å; Y727-C730 PolarHBondContact O-N 3.42Å; T728-C730 VanDerWaalsContact C-N 3.3Å; T728-C730 PolarHBondContact O-N 3.06Å; C730-L734 WeakPolarHBondContact O-CB 3.34Å; C730-L734 PolarHBondContact O-N 3.16Å; C730-L734 VanDerWaalsContact O-N 3.13Å |
| 731 | Y | 89 | Confident | 85.3 | Confident | 17 Ų | 17 | 70 Ų | 70 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -75.8 | -29.7 | 179.2 | -70.8 | -74.3 | 0 | 0 | 0 | 112.7 | Q711 A714 Y727 T728 A729 L734 A735 L746 A750 | Q711-Y731 HydrophobicContact CG-CE1 4.28Å; A714-Y731 HydrophobicContact CB-CD2 4.18Å; A714-Y731 HydrophobicContact CB-CE2 3.45Å; A714-Y731 VanDerWaalsContact CB-CE2 3.45Å; Y727-Y731 HydrophobicContact CD1-CD2 4.33Å; Y727-Y731 HydrophobicContact CD1-CE2 4.35Å; Y727-Y731 HydrophobicContact CD2-CE2 4.27Å; Y727-Y731 HydrophobicContact CE1-CD2 4.18Å; Y727-Y731 AromaticContact CE1-CE2 3.95Å; Y727-Y731 HydrophobicContact CE1-CE2 3.95Å; Y727-Y731 AromaticContact CE2-CE2 3.75Å; Y727-Y731 HydrophobicContact CE2-CE2 3.75Å; Y727-Y731 AromaticContact CZ-CE2 3.6Å; Y727-Y731 WeakPolarHBondContact O-CD2 3.44Å; T728-Y731 PolarHBondContact O-N 3.49Å; A729-Y731 PolarHBondContact O-N 2.94Å; Y731-L734 PolarHBondContact O-N 3.05Å; Y731-A735 WeakPolarHBondContact O-CB 3.3Å; Y731-A735 PolarHBondContact O-N 3.33Å; Y731-L746 HydrophobicContact CD1-CB 3.91Å; Y731-L746 HydrophobicContact CE1-CB 4.12Å; Y731-A750 HydrophobicContact CD2-CB 3.23Å; Y731-A750 HydrophobicContact CE2-CB 3.74Å; Y731-A750 HydrophobicContact CG-CB 3.68Å |
| 732 | R | 89.2 | Confident | 84.8 | Confident | 117 Ų | 117 | 72 Ų | 72 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 176.4 | -173.8 | -175.9 | -70.7 | 168.7 | -7.7 | 110.2 | T728 A729 L734 A735 E736 L747 Y751 | T728-R732 WeakPolarHBondContact O-CB 3.48Å; T728-R732 PolarHBondContact O-N 2.79Å; A729-R732 PolarHBondContact O-N 3.27Å; R732-L734 VanDerWaalsContact C-N 3.25Å; R732-L734 PolarHBondContact O-N 3.17Å; R732-A735 PolarHBondContact O-N 3.42Å; R732-E736 WeakPolarHBondContact CG-OE1 3.39Å; R732-E736 WeakPolarHBondContact O-CB 3.37Å; R732-E736 WeakPolarHBondContact O-CG 3.43Å; R732-E736 PolarHBondContact O-N 3.49Å; R732-L747 HydrophobicContact CB-CD1 4.08Å; R732-Y751 PolarHBondContact NH2-OH 3.07Å |
| 733 | E | 86.7 | Confident | 84.6 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 174.3 | -168.9 | -175.8 | 157.8 | 0 | 0 | 111.5 | R710 A729 E736 K737 | R710-E733 IonicContact CZ-OE1 3.7Å; R710-E733 IonicContact CZ-OE2 2.77Å; R710-E733 IonicContact NH1-OE1 2.88Å; R710-E733 PolarHBondContact NH1-OE1 3.39Å; R710-E733 IonicContact NH1-OE2 3.77Å; R710-E733 PolarHBondContact NH1-OE2 2.9Å; R710-E733 IonicContact NH2-OE1 3.73Å; R710-E733 PolarHBondContact NH2-OE1 3.44Å; R710-E733 IonicContact NH2-OE2 2.68Å; R710-E733 PolarHBondContact NH2-OE2 3.29Å; A729-E733 WeakPolarHBondContact O-CB 3.45Å; A729-E733 PolarHBondContact O-N 3.34Å; E733-E736 PolarHBondContact O-N 2.95Å; E733-K737 HydrophobicContact CG-CD 4.41Å; E733-K737 WeakPolarHBondContact O-CB 3.49Å; E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 PolarHBondContact O-N 2.89Å; E733-K737 WeakPolarHBondContact OE1-CE 3.43Å; E733-K737 IonicContact OE1-NZ 3.35Å; E733-K737 PolarHBondContact OE1-NZ 3.09Å |
| 734 | L | 85.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 175.6 | -177.3 | 140.8 | 0 | 0 | 0 | 112.1 | I707 R710 C730 Y731 R732 L738 A743 L746 | I707-L734 HydrophobicContact CB-CD1 4.3Å; I707-L734 HydrophobicContact CG1-CD1 4.16Å; I707-L734 HydrophobicContact CG2-CD1 4.22Å; R710-L734 HydrophobicContact CB-CD1 3.78Å; R710-L734 HydrophobicContact CG-CD1 4.12Å; C730-L734 WeakPolarHBondContact O-CB 3.34Å; C730-L734 PolarHBondContact O-N 3.16Å; C730-L734 VanDerWaalsContact O-N 3.13Å; Y731-L734 PolarHBondContact O-N 3.05Å; R732-L734 VanDerWaalsContact C-N 3.25Å; R732-L734 PolarHBondContact O-N 3.17Å; L734-L738 HydrophobicContact CD2-CD1 4.11Å; L734-L738 HydrophobicContact CG-CD1 3.91Å; L734-L738 WeakPolarHBondContact O-CB 3.24Å; L734-L738 PolarHBondContact O-N 3.49Å; L734-L738 VanDerWaalsContact O-N 3.12Å; L734-A743 HydrophobicContact CD2-CB 3.57Å; L734-L746 HydrophobicContact CD2-CD1 4.14Å |
| 735 | A | 84.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y731 R732 E739 A743 Y744 L747 | Y731-A735 WeakPolarHBondContact O-CB 3.3Å; Y731-A735 PolarHBondContact O-N 3.33Å; R732-A735 PolarHBondContact O-N 3.42Å; A735-E739 WeakPolarHBondContact O-CA 3.45Å; A735-E739 PolarHBondContact O-N 3.1Å; A735-A743 HydrophobicContact CB-CB 4.45Å; A735-Y744 HydrophobicContact CB-CD1 4.15Å; A735-Y744 HydrophobicContact CB-CE1 4.22Å; A735-Y744 HydrophobicContact CB-CG 4.47Å; A735-L747 HydrophobicContact CB-CB 4.35Å; A735-L747 HydrophobicContact CB-CD2 3.96Å |
| 736 | E | 85.5 | Confident | 84.2 | Confident | 123 Ų | 123 | 54.1 Ų | 54.1 | 58% | 0.575 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.1 | -35.8 | 177.6 | -74.7 | 170.9 | -172 | 0 | 0 | 112.4 | R732 E733 | R732-E736 WeakPolarHBondContact CG-OE1 3.39Å; R732-E736 WeakPolarHBondContact O-CB 3.37Å; R732-E736 WeakPolarHBondContact O-CG 3.43Å; R732-E736 PolarHBondContact O-N 3.49Å; E733-E736 PolarHBondContact O-N 2.95Å |
| 737 | K | 81.5 | Confident | 84.1 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 46% | 0.457 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -84.9 | -38.6 | -178.4 | -70 | -169.3 | -168.4 | 172.8 | 0 | 114.7 | A701 Y706 E733 | A701-K737 HydrophobicContact CB-CD 3.85Å; Y706-K737 WeakPolarHBondContact OH-CD 3.28Å; Y706-K737 PolarHBondContact OH-NZ 3.47Å; E733-K737 HydrophobicContact CG-CD 4.41Å; E733-K737 WeakPolarHBondContact O-CB 3.49Å; E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 PolarHBondContact O-N 2.89Å; E733-K737 WeakPolarHBondContact OE1-CE 3.43Å; E733-K737 IonicContact OE1-NZ 3.35Å; E733-K737 PolarHBondContact OE1-NZ 3.09Å |
| 738 | L | 77.9 | Confident | 84 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -87 | -27.8 | -177.2 | -65.4 | 175.2 | 0 | 0 | 0 | 112.3 | I707 L734 T740 A743 | I707-L738 HydrophobicContact CD1-CD1 3.96Å; I707-L738 HydrophobicContact CG1-CD1 3.8Å; L734-L738 HydrophobicContact CD2-CD1 4.11Å; L734-L738 HydrophobicContact CG-CD1 3.91Å; L734-L738 WeakPolarHBondContact O-CB 3.24Å; L734-L738 PolarHBondContact O-N 3.49Å; L734-L738 VanDerWaalsContact O-N 3.12Å; L738-T740 HydrophobicContact CB-CG2 4.28Å; L738-T740 WeakPolarHBondContact O-CG2 3.41Å; L738-T740 PolarHBondContact O-N 3.36Å; L738-A743 HydrophobicContact CB-CB 4.03Å; L738-A743 HydrophobicContact CD1-CB 4.26Å |
| 739 | E | 80 | Confident | 83.9 | Confident | 139 Ų | 139 | 51.7 Ų | 51.7 | 65% | 0.65 | 25% | 0.248 | S | C | * | . | trans | 51.5 | 15.3 | -174.7 | -59.8 | -170.6 | 170.4 | 0 | 0 | 115.4 | A735 | A735-E739 WeakPolarHBondContact O-CA 3.45Å; A735-E739 PolarHBondContact O-N 3.1Å | ||
| 740 | T | 76.1 | Confident | 83.8 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | trans | -84.8 | 150.3 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | L738 E742 A743 Y744 | L738-T740 HydrophobicContact CB-CG2 4.28Å; L738-T740 WeakPolarHBondContact O-CG2 3.41Å; L738-T740 PolarHBondContact O-N 3.36Å; T740-E742 PolarHBondContact O-N 3.4Å; T740-A743 WeakPolarHBondContact O-CB 3.43Å; T740-A743 PolarHBondContact O-N 3.1Å; T740-A743 VanDerWaalsContact OG1-CB 3.25Å; T740-A743 WeakPolarHBondContact OG1-CB 3.4Å; T740-A743 PolarHBondContact OG1-N 2.91Å; T740-Y744 VanDerWaalsContact O-CD2 3.24Å; T740-Y744 WeakPolarHBondContact O-CD2 3.36Å; T740-Y744 PolarHBondContact O-N 3.27Å; T740-Y744 VanDerWaalsContact O-N 3.09Å | ||
| 741 | N | 77.7 | Confident | 84 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.1 | -34.5 | 175.3 | -71.2 | -9.3 | 0 | 0 | 0 | 112 | Y744 F745 I767 K770 N771 | N741-Y744 PolarHBondContact O-N 3.43Å; N741-F745 WeakPolarHBondContact O-CB 3.49Å; N741-F745 PolarHBondContact O-N 3.33Å; N741-I767 HydrophobicContact CB-CG2 4.45Å; N741-K770 WeakPolarHBondContact OD1-CD 3.31Å; N741-N771 PolarHBondContact ND2-ND2 3.18Å; N741-N771 VanDerWaalsContact ND2-ND2 3.19Å |
| 742 | E | 73.4 | Confident | 83.9 | Confident | 128 Ų | 128 | 51.3 Ų | 51.3 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -42.1 | 174.7 | -63.4 | -177.9 | 169.2 | 0 | 0 | 112.1 | T740 F745 L746 | T740-E742 PolarHBondContact O-N 3.4Å; E742-F745 WeakPolarHBondContact O-CB 3.48Å; E742-F745 PolarHBondContact O-N 3.49Å; E742-L746 WeakPolarHBondContact O-CG 3.33Å; E742-L746 PolarHBondContact O-N 2.89Å |
| 743 | A | 81.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L734 A735 L738 T740 L746 L747 | L734-A743 HydrophobicContact CD2-CB 3.57Å; A735-A743 HydrophobicContact CB-CB 4.45Å; L738-A743 HydrophobicContact CB-CB 4.03Å; L738-A743 HydrophobicContact CD1-CB 4.26Å; T740-A743 WeakPolarHBondContact O-CB 3.43Å; T740-A743 PolarHBondContact O-N 3.1Å; T740-A743 VanDerWaalsContact OG1-CB 3.25Å; T740-A743 WeakPolarHBondContact OG1-CB 3.4Å; T740-A743 PolarHBondContact OG1-N 2.91Å; A743-L746 PolarHBondContact O-N 3.45Å; A743-L747 PolarHBondContact O-N 2.93Å |
| 744 | Y | 85.2 | Confident | 83.7 | Confident | 64 Ų | 64 | 46.6 Ų | 46.6 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 171.7 | -77.2 | -74.8 | 0 | 0 | 0 | 112.2 | A735 T740 N741 L747 A748 I763 | A735-Y744 HydrophobicContact CB-CD1 4.15Å; A735-Y744 HydrophobicContact CB-CE1 4.22Å; A735-Y744 HydrophobicContact CB-CG 4.47Å; T740-Y744 VanDerWaalsContact O-CD2 3.24Å; T740-Y744 WeakPolarHBondContact O-CD2 3.36Å; T740-Y744 PolarHBondContact O-N 3.27Å; T740-Y744 VanDerWaalsContact O-N 3.09Å; N741-Y744 PolarHBondContact O-N 3.43Å; Y744-L747 WeakPolarHBondContact O-CB 3.4Å; Y744-L747 PolarHBondContact O-N 3.23Å; Y744-A748 PolarHBondContact O-N 2.9Å; Y744-I763 HydrophobicContact CD1-CG2 4.09Å; Y744-I763 HydrophobicContact CG-CG2 4.5Å; Y744-I763 VanDerWaalsContact O-CG2 3.23Å; Y744-I763 WeakPolarHBondContact O-CG2 3.48Å |
| 745 | F | 85 | Confident | 83.7 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.3 | -174.4 | -93.1 | 0 | 0 | 0 | 111.3 | N741 E742 L747 A748 E749 Y764 I767 L777 K780 | N741-F745 WeakPolarHBondContact O-CB 3.49Å; N741-F745 PolarHBondContact O-N 3.33Å; E742-F745 WeakPolarHBondContact O-CB 3.48Å; E742-F745 PolarHBondContact O-N 3.49Å; F745-L747 VanDerWaalsContact C-N 3.29Å; F745-L747 PolarHBondContact O-N 3.39Å; F745-A748 PolarHBondContact O-N 2.9Å; F745-A748 VanDerWaalsContact O-N 3.14Å; F745-E749 HydrophobicContact CD1-CG 4.2Å; F745-E749 HydrophobicContact CE1-CG 3.87Å; F745-E749 VanDerWaalsContact CE1-OE1 3.23Å; F745-E749 WeakPolarHBondContact CE1-OE1 3.47Å; F745-E749 HydrophobicContact CZ-CG 4.27Å; F745-E749 WeakPolarHBondContact CZ-OE1 3.47Å; F745-E749 WeakPolarHBondContact O-CG 3.36Å; F745-E749 PolarHBondContact O-N 2.63Å; F745-Y764 HydrophobicContact CD2-CE1 4.05Å; F745-Y764 HydrophobicContact CE2-CE1 4.06Å; F745-I767 HydrophobicContact CB-CD1 4.08Å; F745-I767 HydrophobicContact CD2-CD1 4.5Å; F745-L777 HydrophobicContact CD2-CD2 3.91Å; F745-L777 HydrophobicContact CE2-CD2 4.08Å; F745-K780 HydrophobicContact CE2-CG 4.35Å; F745-K780 HydrophobicContact CZ-CG 4.37Å |
| 746 | L | 83.7 | Confident | 83.9 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 174.5 | -72 | 174.2 | 0 | 0 | 0 | 112.2 | I707 Y731 L734 E742 A743 E749 A750 | I707-L746 HydrophobicContact CG2-CD1 4.34Å; Y731-L746 HydrophobicContact CD1-CB 3.91Å; Y731-L746 HydrophobicContact CE1-CB 4.12Å; L734-L746 HydrophobicContact CD2-CD1 4.14Å; E742-L746 WeakPolarHBondContact O-CG 3.33Å; E742-L746 PolarHBondContact O-N 2.89Å; A743-L746 PolarHBondContact O-N 3.45Å; L746-E749 PolarHBondContact O-N 3.03Å; L746-A750 WeakPolarHBondContact O-CB 3.36Å; L746-A750 PolarHBondContact O-N 3.09Å |
| 747 | L | 88.7 | Confident | 84 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.6 | 177.5 | 61.7 | 0 | 0 | 0 | 112.4 | R732 A735 A743 Y744 F745 E749 A750 Y751 I763 | R732-L747 HydrophobicContact CB-CD1 4.08Å; A735-L747 HydrophobicContact CB-CB 4.35Å; A735-L747 HydrophobicContact CB-CD2 3.96Å; A743-L747 PolarHBondContact O-N 2.93Å; Y744-L747 WeakPolarHBondContact O-CB 3.4Å; Y744-L747 PolarHBondContact O-N 3.23Å; F745-L747 VanDerWaalsContact C-N 3.29Å; F745-L747 PolarHBondContact O-N 3.39Å; L747-E749 VanDerWaalsContact C-N 3.34Å; L747-A750 WeakPolarHBondContact O-CB 3.47Å; L747-A750 PolarHBondContact O-N 3.08Å; L747-Y751 HydrophobicContact CD1-CD2 4.05Å; L747-Y751 HydrophobicContact CD1-CE2 3.54Å; L747-Y751 HydrophobicContact CD2-CE2 4.25Å; L747-Y751 HydrophobicContact CG-CD2 4.04Å; L747-Y751 HydrophobicContact CG-CE2 3.71Å; L747-Y751 WeakPolarHBondContact O-CD2 3.28Å; L747-Y751 PolarHBondContact O-N 3.39Å; L747-I763 HydrophobicContact CB-CD1 4.4Å; L747-I763 HydrophobicContact CD2-CD1 3.51Å; L747-I763 HydrophobicContact CG-CD1 3.57Å |
| 748 | A | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y744 F745 A750 Y751 M752 A760 I763 Y764 | Y744-A748 PolarHBondContact O-N 2.9Å; F745-A748 PolarHBondContact O-N 2.9Å; F745-A748 VanDerWaalsContact O-N 3.14Å; A748-A750 VanDerWaalsContact C-N 3.34Å; A748-Y751 WeakPolarHBondContact O-CB 3.49Å; A748-Y751 PolarHBondContact O-N 3.29Å; A748-M752 WeakPolarHBondContact O-CG 3.2Å; A748-M752 PolarHBondContact O-N 3.12Å; A748-A760 HydrophobicContact CB-CB 4.43Å; A748-A760 WeakPolarHBondContact O-CB 3.03Å; A748-I763 HydrophobicContact CB-CB 4.02Å; A748-I763 HydrophobicContact CB-CG2 3.91Å; A748-Y764 HydrophobicContact CB-CD1 3.5Å; A748-Y764 VanDerWaalsContact CB-CD1 3.5Å; A748-Y764 HydrophobicContact CB-CD2 4.25Å; A748-Y764 HydrophobicContact CB-CE1 3.17Å; A748-Y764 HydrophobicContact CB-CE2 3.98Å; A748-Y764 HydrophobicContact CB-CG 4.03Å; A748-Y764 VanDerWaalsContact CB-CZ 3.42Å |
| 749 | E | 86.6 | Confident | 85 | Confident | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 172.6 | -69.1 | -161.9 | 141.9 | 0 | 0 | 112.7 | F475 F745 L746 L747 Y751 M752 T753 K780 | F475-E749 WeakPolarHBondContact CE2-OE2 3.28Å; F475-E749 VanDerWaalsContact CZ-OE1 3.26Å; F475-E749 WeakPolarHBondContact CZ-OE1 3.28Å; F475-E749 WeakPolarHBondContact CZ-OE2 3.41Å; F745-E749 HydrophobicContact CD1-CG 4.2Å; F745-E749 HydrophobicContact CE1-CG 3.87Å; F745-E749 VanDerWaalsContact CE1-OE1 3.23Å; F745-E749 WeakPolarHBondContact CE1-OE1 3.47Å; F745-E749 HydrophobicContact CZ-CG 4.27Å; F745-E749 WeakPolarHBondContact CZ-OE1 3.47Å; F745-E749 WeakPolarHBondContact O-CG 3.36Å; F745-E749 PolarHBondContact O-N 2.63Å; L746-E749 PolarHBondContact O-N 3.03Å; L747-E749 VanDerWaalsContact C-N 3.34Å; E749-Y751 VanDerWaalsContact C-N 3.3Å; E749-Y751 PolarHBondContact O-N 3.43Å; E749-M752 WeakPolarHBondContact O-CB 3.41Å; E749-M752 PolarHBondContact O-N 3.02Å; E749-M752 VanDerWaalsContact O-N 3.11Å; E749-T753 WeakPolarHBondContact O-CG2 3.41Å; E749-T753 PolarHBondContact O-N 3.3Å; E749-T753 PolarHBondContact O-OG1 2.9Å; E749-K780 IonicContact OE1-NZ 2.94Å; E749-K780 PolarHBondContact OE1-NZ 3.46Å |
| 750 | A | 87.6 | Confident | 85.5 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y727 Y731 L746 L747 A748 M752 T753 I754 | Y727-A750 HydrophobicContact CD1-CB 4.13Å; Y727-A750 HydrophobicContact CE1-CB 3.44Å; Y727-A750 VanDerWaalsContact CE1-CB 3.44Å; Y727-A750 WeakPolarHBondContact CE1-O 3.48Å; Y731-A750 HydrophobicContact CD2-CB 3.23Å; Y731-A750 HydrophobicContact CE2-CB 3.74Å; Y731-A750 HydrophobicContact CG-CB 3.68Å; L746-A750 WeakPolarHBondContact O-CB 3.36Å; L746-A750 PolarHBondContact O-N 3.09Å; L747-A750 WeakPolarHBondContact O-CB 3.47Å; L747-A750 PolarHBondContact O-N 3.08Å; A748-A750 VanDerWaalsContact C-N 3.34Å; A750-M752 VanDerWaalsContact C-N 3.34Å; A750-T753 PolarHBondContact O-N 3.33Å; A750-T753 PolarHBondContact O-OG1 3.41Å; A750-I754 PolarHBondContact O-N 3.46Å |
| 751 | Y | 90.9 | Very high | 86.2 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | 172.1 | -79.6 | -59.5 | 0 | 0 | 0 | 112.5 | T728 R732 L747 A748 E749 Q755 E756 N759 I763 | T728-Y751 HydrophobicContact CG2-CD1 3.99Å; T728-Y751 HydrophobicContact CG2-CE1 3.7Å; R732-Y751 PolarHBondContact NH2-OH 3.07Å; L747-Y751 HydrophobicContact CD1-CD2 4.05Å; L747-Y751 HydrophobicContact CD1-CE2 3.54Å; L747-Y751 HydrophobicContact CD2-CE2 4.25Å; L747-Y751 HydrophobicContact CG-CD2 4.04Å; L747-Y751 HydrophobicContact CG-CE2 3.71Å; L747-Y751 WeakPolarHBondContact O-CD2 3.28Å; L747-Y751 PolarHBondContact O-N 3.39Å; A748-Y751 WeakPolarHBondContact O-CB 3.49Å; A748-Y751 PolarHBondContact O-N 3.29Å; E749-Y751 VanDerWaalsContact C-N 3.3Å; E749-Y751 PolarHBondContact O-N 3.43Å; Y751-Q755 PolarHBondContact O-N 3.41Å; Y751-E756 HydrophobicContact CD1-CB 3.99Å; Y751-E756 WeakPolarHBondContact CD1-OE2 3.28Å; Y751-E756 WeakPolarHBondContact CE1-OE2 3.43Å; Y751-E756 CarbonylContact O-C 3.14Å; Y751-E756 PolarHBondContact O-N 3.34Å; Y751-N759 HydrophobicContact CD1-CB 3.49Å; Y751-N759 VanDerWaalsContact CD1-CB 3.49Å; Y751-N759 HydrophobicContact CD2-CB 3.86Å; Y751-N759 HydrophobicContact CE1-CB 3.64Å; Y751-N759 HydrophobicContact CE2-CB 3.99Å; Y751-N759 HydrophobicContact CG-CB 3.62Å; Y751-I763 HydrophobicContact CD2-CD1 3.58Å; Y751-I763 HydrophobicContact CE2-CD1 3.51Å |
| 752 | M | 87.6 | Confident | 86.7 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 174.9 | -73.1 | -65.8 | -71.7 | 0 | 0 | 112.7 | A748 E749 A750 I754 Q755 P757 A760 Y764 A784 K787 | A748-M752 WeakPolarHBondContact O-CG 3.2Å; A748-M752 PolarHBondContact O-N 3.12Å; E749-M752 WeakPolarHBondContact O-CB 3.41Å; E749-M752 PolarHBondContact O-N 3.02Å; E749-M752 VanDerWaalsContact O-N 3.11Å; A750-M752 VanDerWaalsContact C-N 3.34Å; M752-I754 PolarHBondContact O-N 3.43Å; M752-Q755 PolarHBondContact O-N 3.41Å; M752-P757 HydrophobicContact SD-CB 3.9Å; M752-A760 HydrophobicContact CG-CB 3.77Å; M752-A760 HydrophobicContact SD-CB 4Å; M752-Y764 HydrophobicContact CG-CE2 4.11Å; M752-A784 HydrophobicContact CE-CB 4.04Å; M752-A784 HydrophobicContact SD-CB 3.57Å; M752-A784 VanDerWaalsContact SD-CB 3.57Å; M752-K787 HydrophobicContact CE-CG 4.4Å |
| 753 | T | 85.7 | Confident | 87.5 | Confident | 77 Ų | 77 | 43.2 Ų | 43.2 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67 | -33.5 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | Y727 E749 A750 Q755 | Y727-T753 VanDerWaalsContact CE1-OG1 3.22Å; Y727-T753 WeakPolarHBondContact CE1-OG1 3.49Å; Y727-T753 VanDerWaalsContact CZ-OG1 3.31Å; Y727-T753 PolarHBondContact OH-OG1 3.06Å; E749-T753 WeakPolarHBondContact O-CG2 3.41Å; E749-T753 PolarHBondContact O-N 3.3Å; E749-T753 PolarHBondContact O-OG1 2.9Å; A750-T753 PolarHBondContact O-N 3.33Å; A750-T753 PolarHBondContact O-OG1 3.41Å; T753-Q755 VanDerWaalsContact C-N 3.26Å; T753-Q755 PolarHBondContact O-N 2.97Å |
| 754 | I | 86.1 | Confident | 87.9 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.6 | -11.4 | 176.9 | -71 | 163.1 | 0 | 0 | 0 | 113.6 | K724 Y727 T728 A750 M752 E756 | K724-I754 HydrophobicContact CB-CD1 4.33Å; K724-I754 HydrophobicContact CB-CG1 4.28Å; K724-I754 HydrophobicContact CB-CG2 3.87Å; K724-I754 HydrophobicContact CD-CG2 3.9Å; K724-I754 HydrophobicContact CG-CG1 4.38Å; K724-I754 HydrophobicContact CG-CG2 4.04Å; K724-I754 PolarHBondContact NZ-O 3.37Å; K724-I754 VanDerWaalsContact O-CD1 3.28Å; K724-I754 WeakPolarHBondContact O-CD1 3.46Å; Y727-I754 HydrophobicContact CD1-CD1 3.15Å; Y727-I754 HydrophobicContact CD1-CG1 3.76Å; Y727-I754 HydrophobicContact CE1-CD1 3.73Å; Y727-I754 HydrophobicContact CE1-CG1 3.98Å; Y727-I754 HydrophobicContact CG-CD1 4.04Å; T728-I754 HydrophobicContact CG2-CD1 3.11Å; A750-I754 PolarHBondContact O-N 3.46Å; M752-I754 PolarHBondContact O-N 3.43Å; I754-E756 HydrophobicContact CG2-CG 4.12Å |
| 755 | Q | 85.8 | Confident | 88 | Confident | 160 Ų | 160 | 43 Ų | 43 | 75% | 0.748 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 36.5 | -171.7 | -47.8 | 171.9 | -5.6 | 0 | 0 | 113 | Y751 M752 T753 P757 | Y751-Q755 PolarHBondContact O-N 3.41Å; M752-Q755 PolarHBondContact O-N 3.41Å; T753-Q755 VanDerWaalsContact C-N 3.26Å; T753-Q755 PolarHBondContact O-N 2.97Å; Q755-P757 WeakPolarHBondContact O-CD 3.29Å |
| 756 | E | 88.3 | Confident | 88 | Confident | 80 Ų | 80 | 43 Ų | 43 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | trans | -109 | 62.4 | 167.5 | -73.2 | -176.7 | -169.1 | 0 | 0 | 111.6 | Y751 I754 E758 N759 A760 | Y751-E756 HydrophobicContact CD1-CB 3.99Å; Y751-E756 WeakPolarHBondContact CD1-OE2 3.28Å; Y751-E756 WeakPolarHBondContact CE1-OE2 3.43Å; Y751-E756 CarbonylContact O-C 3.14Å; Y751-E756 PolarHBondContact O-N 3.34Å; I754-E756 HydrophobicContact CG2-CG 4.12Å; E756-E758 PolarHBondContact O-N 2.83Å; E756-E758 VanDerWaalsContact O-N 3.15Å; E756-N759 PolarHBondContact O-N 2.97Å; E756-N759 PolarHBondContact OE2-ND2 3.29Å; E756-A760 PolarHBondContact O-N 3.31Å | ||
| 757 | P | 88.7 | Confident | 88 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -22.2 | -174.1 | 24.2 | -34.1 | 0 | 0 | 0 | 114.5 | M752 Q755 N759 A760 I761 A784 K787 L788 | M752-P757 HydrophobicContact SD-CB 3.9Å; Q755-P757 WeakPolarHBondContact O-CD 3.29Å; P757-N759 VanDerWaalsContact C-N 3.33Å; P757-N759 PolarHBondContact O-N 2.89Å; P757-A760 WeakPolarHBondContact O-CB 3.2Å; P757-A760 PolarHBondContact O-N 2.99Å; P757-I761 WeakPolarHBondContact O-CD1 3.36Å; P757-I761 VanDerWaalsContact O-CG1 3.27Å; P757-I761 WeakPolarHBondContact O-CG1 3.42Å; P757-I761 PolarHBondContact O-N 3.11Å; P757-A784 HydrophobicContact CB-CB 4.22Å; P757-K787 HydrophobicContact CB-CB 4.26Å; P757-K787 HydrophobicContact CG-CB 4.06Å; P757-L788 HydrophobicContact CB-CD1 4.43Å; P757-L788 HydrophobicContact CB-CD2 4.39Å; P757-L788 HydrophobicContact CB-CG 3.96Å; P757-L788 HydrophobicContact CG-CD1 4.47Å; P757-L788 HydrophobicContact CG-CD2 3.58Å; P757-L788 HydrophobicContact CG-CG 3.61Å |
| 758 | E | 90.5 | Very high | 87.7 | Confident | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61.9 | -41 | 176.6 | -55.7 | -170.5 | 166.1 | 0 | 0 | 112.4 | E756 K762 L788 | E756-E758 PolarHBondContact O-N 2.83Å; E756-E758 VanDerWaalsContact O-N 3.15Å; E758-K762 PolarHBondContact O-N 3.31Å; E758-L788 HydrophobicContact CG-CD1 3.86Å; E758-L788 HydrophobicContact CG-CD2 3.46Å; E758-L788 VanDerWaalsContact CG-CD2 3.46Å; E758-L788 HydrophobicContact CG-CG 4.3Å |
| 759 | N | 89.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 178.4 | -69.1 | -29.7 | 0 | 0 | 0 | 110.6 | Y751 E756 P757 I761 K762 I763 | Y751-N759 HydrophobicContact CD1-CB 3.49Å; Y751-N759 VanDerWaalsContact CD1-CB 3.49Å; Y751-N759 HydrophobicContact CD2-CB 3.86Å; Y751-N759 HydrophobicContact CE1-CB 3.64Å; Y751-N759 HydrophobicContact CE2-CB 3.99Å; Y751-N759 HydrophobicContact CG-CB 3.62Å; E756-N759 PolarHBondContact O-N 2.97Å; E756-N759 PolarHBondContact OE2-ND2 3.29Å; P757-N759 VanDerWaalsContact C-N 3.33Å; P757-N759 PolarHBondContact O-N 2.89Å; N759-I761 PolarHBondContact O-N 3.38Å; N759-K762 PolarHBondContact O-N 3.03Å; N759-I763 PolarHBondContact O-N 2.99Å |
| 760 | A | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A748 M752 E756 P757 K762 I763 Y764 | A748-A760 HydrophobicContact CB-CB 4.43Å; A748-A760 WeakPolarHBondContact O-CB 3.03Å; M752-A760 HydrophobicContact CG-CB 3.77Å; M752-A760 HydrophobicContact SD-CB 4Å; E756-A760 PolarHBondContact O-N 3.31Å; P757-A760 WeakPolarHBondContact O-CB 3.2Å; P757-A760 PolarHBondContact O-N 2.99Å; A760-K762 PolarHBondContact O-N 2.69Å; A760-I763 PolarHBondContact O-N 2.76Å; A760-Y764 HydrophobicContact CB-CD2 4.21Å; A760-Y764 HydrophobicContact CB-CE2 3.86Å; A760-Y764 WeakPolarHBondContact O-CD2 3.23Å; A760-Y764 PolarHBondContact O-N 3.41Å |
| 761 | I | 89.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | -179.6 | -70.2 | 162.5 | 0 | 0 | 0 | 111.6 | P757 N759 I763 Y764 E765 A784 F785 L788 | P757-I761 WeakPolarHBondContact O-CD1 3.36Å; P757-I761 VanDerWaalsContact O-CG1 3.27Å; P757-I761 WeakPolarHBondContact O-CG1 3.42Å; P757-I761 PolarHBondContact O-N 3.11Å; N759-I761 PolarHBondContact O-N 3.38Å; I761-I763 PolarHBondContact O-N 3.26Å; I761-Y764 PolarHBondContact O-N 3.29Å; I761-E765 HydrophobicContact CG2-CG 4.15Å; I761-E765 WeakPolarHBondContact O-CB 3.1Å; I761-E765 WeakPolarHBondContact O-CG 3.29Å; I761-E765 PolarHBondContact O-N 3.31Å; I761-A784 HydrophobicContact CD1-CB 3.9Å; I761-A784 HydrophobicContact CG1-CB 3.55Å; I761-F785 HydrophobicContact CD1-CD1 3.74Å; I761-F785 HydrophobicContact CD1-CE1 3.73Å; I761-F785 HydrophobicContact CD1-CG 4.2Å; I761-F785 HydrophobicContact CD1-CZ 4.17Å; I761-F785 HydrophobicContact CG2-CE1 4.29Å; I761-F785 HydrophobicContact CG2-CE2 4.45Å; I761-F785 HydrophobicContact CG2-CZ 3.86Å; I761-L788 HydrophobicContact CD1-CD1 3.35Å; I761-L788 HydrophobicContact CD1-CG 4.46Å |
| 762 | K | 89.2 | Confident | 85.5 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57 | -36.1 | 177.8 | -70.4 | 174.4 | -175.6 | 169.4 | 0 | 112.2 | E758 N759 A760 S766 | E758-K762 PolarHBondContact O-N 3.31Å; N759-K762 PolarHBondContact O-N 3.03Å; A760-K762 PolarHBondContact O-N 2.69Å; K762-S766 PolarHBondContact O-N 2.9Å |
| 763 | I | 90.1 | Very high | 84.6 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -79.9 | -43.7 | 179 | -62.3 | 162.8 | 0 | 0 | 0 | 110.9 | Y744 L747 A748 Y751 N759 A760 I761 E765 S766 I767 | Y744-I763 HydrophobicContact CD1-CG2 4.09Å; Y744-I763 HydrophobicContact CG-CG2 4.5Å; Y744-I763 VanDerWaalsContact O-CG2 3.23Å; Y744-I763 WeakPolarHBondContact O-CG2 3.48Å; L747-I763 HydrophobicContact CB-CD1 4.4Å; L747-I763 HydrophobicContact CD2-CD1 3.51Å; L747-I763 HydrophobicContact CG-CD1 3.57Å; A748-I763 HydrophobicContact CB-CB 4.02Å; A748-I763 HydrophobicContact CB-CG2 3.91Å; Y751-I763 HydrophobicContact CD2-CD1 3.58Å; Y751-I763 HydrophobicContact CE2-CD1 3.51Å; N759-I763 PolarHBondContact O-N 2.99Å; A760-I763 PolarHBondContact O-N 2.76Å; I761-I763 PolarHBondContact O-N 3.26Å; I763-E765 VanDerWaalsContact C-N 3.26Å; I763-E765 PolarHBondContact O-N 3.1Å; I763-S766 PolarHBondContact O-N 3.25Å; I763-S766 PolarHBondContact O-OG 3.47Å; I763-I767 HydrophobicContact CG2-CD1 4.14Å; I763-I767 HydrophobicContact CG2-CG1 4.47Å; I763-I767 WeakPolarHBondContact O-CG1 3.45Å; I763-I767 PolarHBondContact O-N 3.08Å |
| 764 | Y | 89.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 174.6 | -68.4 | -44.9 | 0 | 0 | 0 | 112 | F745 A748 M752 A760 I761 S766 I767 L768 L777 K780 I781 | F745-Y764 HydrophobicContact CD2-CE1 4.05Å; F745-Y764 HydrophobicContact CE2-CE1 4.06Å; A748-Y764 HydrophobicContact CB-CD1 3.5Å; A748-Y764 VanDerWaalsContact CB-CD1 3.5Å; A748-Y764 HydrophobicContact CB-CD2 4.25Å; A748-Y764 HydrophobicContact CB-CE1 3.17Å; A748-Y764 HydrophobicContact CB-CE2 3.98Å; A748-Y764 HydrophobicContact CB-CG 4.03Å; A748-Y764 VanDerWaalsContact CB-CZ 3.42Å; M752-Y764 HydrophobicContact CG-CE2 4.11Å; A760-Y764 HydrophobicContact CB-CD2 4.21Å; A760-Y764 HydrophobicContact CB-CE2 3.86Å; A760-Y764 WeakPolarHBondContact O-CD2 3.23Å; A760-Y764 PolarHBondContact O-N 3.41Å; I761-Y764 PolarHBondContact O-N 3.29Å; Y764-S766 VanDerWaalsContact C-N 3.32Å; Y764-S766 PolarHBondContact O-N 2.92Å; Y764-I767 HydrophobicContact CD1-CD1 4.44Å; Y764-I767 PolarHBondContact O-N 3.45Å; Y764-L768 WeakPolarHBondContact O-CB 3.19Å; Y764-L768 PolarHBondContact O-N 3.36Å; Y764-L777 HydrophobicContact CD1-CD2 3.73Å; Y764-L777 HydrophobicContact CE1-CD2 4.43Å; Y764-L777 HydrophobicContact CG-CD2 4.49Å; Y764-K780 HydrophobicContact CE1-CB 4.21Å; Y764-K780 HydrophobicContact CE2-CB 4.08Å; Y764-I781 VanDerWaalsContact CB-CG1 3.43Å; Y764-I781 HydrophobicContact CD2-CG1 4.15Å; Y764-I781 HydrophobicContact CG-CG1 4.04Å |
| 765 | E | 86.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 173.7 | -74.4 | 179.8 | 177.7 | 0 | 0 | 112.3 | I761 I763 L768 R769 | I761-E765 HydrophobicContact CG2-CG 4.15Å; I761-E765 WeakPolarHBondContact O-CB 3.1Å; I761-E765 WeakPolarHBondContact O-CG 3.29Å; I761-E765 PolarHBondContact O-N 3.31Å; I763-E765 VanDerWaalsContact C-N 3.26Å; I763-E765 PolarHBondContact O-N 3.1Å; E765-L768 PolarHBondContact O-N 3.45Å; E765-R769 WeakPolarHBondContact O-CG 3.37Å; E765-R769 PolarHBondContact O-N 3.18Å |
| 766 | S | 86 | Confident | 82.1 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 175.5 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | K762 I763 Y764 K770 | K762-S766 PolarHBondContact O-N 2.9Å; I763-S766 PolarHBondContact O-N 3.25Å; I763-S766 PolarHBondContact O-OG 3.47Å; Y764-S766 VanDerWaalsContact C-N 3.32Å; Y764-S766 PolarHBondContact O-N 2.92Å; S766-K770 PolarHBondContact O-N 2.79Å |
| 767 | I | 83.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 173.5 | -57 | 164.8 | 0 | 0 | 0 | 110 | N741 F745 I763 Y764 R769 K770 N771 L777 | N741-I767 HydrophobicContact CB-CG2 4.45Å; F745-I767 HydrophobicContact CB-CD1 4.08Å; F745-I767 HydrophobicContact CD2-CD1 4.5Å; I763-I767 HydrophobicContact CG2-CD1 4.14Å; I763-I767 HydrophobicContact CG2-CG1 4.47Å; I763-I767 WeakPolarHBondContact O-CG1 3.45Å; I763-I767 PolarHBondContact O-N 3.08Å; Y764-I767 HydrophobicContact CD1-CD1 4.44Å; Y764-I767 PolarHBondContact O-N 3.45Å; I767-R769 VanDerWaalsContact C-N 3.28Å; I767-R769 PolarHBondContact O-N 3.32Å; I767-K770 WeakPolarHBondContact O-CB 3.49Å; I767-K770 PolarHBondContact O-N 2.92Å; I767-N771 PolarHBondContact O-N 3.47Å; I767-L777 HydrophobicContact CB-CD1 3.92Å; I767-L777 HydrophobicContact CB-CD2 4.24Å; I767-L777 HydrophobicContact CD1-CD2 4.23Å; I767-L777 HydrophobicContact CG2-CD1 3.5Å; I767-L777 HydrophobicContact CG2-CD2 4.14Å; I767-L777 HydrophobicContact CG2-CG 4.41Å |
| 768 | L | 81.6 | Confident | 80.9 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -33.9 | 179.1 | -171.6 | 69.6 | 0 | 0 | 0 | 112.2 | Y764 E765 K770 N771 P772 L777 I781 | Y764-L768 WeakPolarHBondContact O-CB 3.19Å; Y764-L768 PolarHBondContact O-N 3.36Å; E765-L768 PolarHBondContact O-N 3.45Å; L768-K770 VanDerWaalsContact C-N 3.31Å; L768-K770 PolarHBondContact O-N 2.86Å; L768-N771 CarbonylContact O-C 3.59Å; L768-N771 PolarHBondContact O-N 3.19Å; L768-P772 WeakPolarHBondContact O-CA 3.38Å; L768-L777 HydrophobicContact CB-CD1 4.28Å; L768-L777 HydrophobicContact CD1-CD1 4.34Å; L768-I781 HydrophobicContact CD2-CD1 4.22Å |
| 769 | R | 82.2 | Confident | 80.3 | Confident | 211 Ų | 211 | 62.7 Ų | 62.7 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.9 | -32.6 | 173.5 | -75.5 | 176.8 | -168.7 | -168.8 | 5.2 | 113 | E765 I767 | E765-R769 WeakPolarHBondContact O-CG 3.37Å; E765-R769 PolarHBondContact O-N 3.18Å; I767-R769 VanDerWaalsContact C-N 3.28Å; I767-R769 PolarHBondContact O-N 3.32Å |
| 770 | K | 79 | Confident | 80.1 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -76 | -42 | 174.3 | -67.5 | -177.6 | 177.8 | -176.1 | 0 | 110.9 | N741 S766 I767 L768 | N741-K770 WeakPolarHBondContact OD1-CD 3.31Å; S766-K770 PolarHBondContact O-N 2.79Å; I767-K770 WeakPolarHBondContact O-CB 3.49Å; I767-K770 PolarHBondContact O-N 2.92Å; L768-K770 VanDerWaalsContact C-N 3.31Å; L768-K770 PolarHBondContact O-N 2.86Å |
| 771 | N | 74.3 | Confident | 79.8 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | trans | -125.8 | 86.2 | -176.2 | -70.4 | 0.8 | 0 | 0 | 0 | 110.9 | N741 I767 L768 N773 D774 | N741-N771 PolarHBondContact ND2-ND2 3.18Å; N741-N771 VanDerWaalsContact ND2-ND2 3.19Å; I767-N771 PolarHBondContact O-N 3.47Å; L768-N771 CarbonylContact O-C 3.59Å; L768-N771 PolarHBondContact O-N 3.19Å; N771-N773 PolarHBondContact O-N 3.3Å; N771-N773 VanDerWaalsContact O-N 3.15Å; N771-D774 HydrophobicContact CB-CB 4.34Å; N771-D774 PolarHBondContact O-N 2.91Å | ||
| 772 | P | 70.4 | Confident | 79.6 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 66% | 0.656 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.1 | -176.8 | 24.6 | -33.3 | 0 | 0 | 0 | 114.1 | L768 | L768-P772 WeakPolarHBondContact O-CA 3.38Š|
| 773 | N | 68.4 | Low | 79.4 | Confident | 146 Ų | 146 | 59.6 Ų | 59.6 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 0.7 | -176.9 | -69.3 | -7.4 | 0 | 0 | 0 | 114.2 | N771 L775 | N771-N773 PolarHBondContact O-N 3.3Å; N771-N773 VanDerWaalsContact O-N 3.15Å; N773-L775 PolarHBondContact O-N 3.11Å |
| 774 | D | 69.5 | Low | 79.3 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | trans | -77.1 | 94.9 | 179.9 | -173 | -1.9 | 0 | 0 | 0 | 111.2 | N771 R776 L777 | N771-D774 HydrophobicContact CB-CB 4.34Å; N771-D774 PolarHBondContact O-N 2.91Å; D774-R776 PolarHBondContact O-N 2.89Å; D774-R776 VanDerWaalsContact OD1-CB 3.25Å; D774-R776 WeakPolarHBondContact OD1-CB 3.08Å; D774-R776 PolarHBondContact OD1-N 3.04Å; D774-L777 HydrophobicContact CB-CD1 3.8Å; D774-L777 HydrophobicContact CB-CG 4.24Å; D774-L777 PolarHBondContact O-N 3.41Å | ||
| 775 | L | 67.7 | Low | 79.3 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -25.3 | 179.3 | -64.7 | 164 | 0 | 0 | 0 | 112.1 | N773 L777 A778 T804 Q806 | N773-L775 PolarHBondContact O-N 3.11Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 PolarHBondContact O-N 2.78Å; L775-A778 PolarHBondContact O-N 2.99Å; L775-T804 WeakPolarHBondContact CD2-OG1 3.43Å; L775-Q806 HydrophobicContact CB-CG 3.95Å; L775-Q806 HydrophobicContact CD1-CG 4.37Å; L775-Q806 HydrophobicContact CD2-CG 4.21Å; L775-Q806 HydrophobicContact CG-CG 4.43Å; L775-Q806 PolarHBondContact O-NE2 2.98Å; L775-Q806 PolarHBondContact O-OE1 3.32Å |
| 776 | R | 69.3 | Low | 79.3 | Confident | 139 Ų | 139 | 58 Ų | 58 | 53% | 0.525 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | -179.4 | -59.2 | 174.9 | 179 | 164.1 | 2.2 | 111.3 | Y483 D774 A778 K780 | Y483-R776 PolarHBondContact O-NH2 3.03Å; D774-R776 PolarHBondContact O-N 2.89Å; D774-R776 VanDerWaalsContact OD1-CB 3.25Å; D774-R776 WeakPolarHBondContact OD1-CB 3.08Å; D774-R776 PolarHBondContact OD1-N 3.04Å; R776-A778 VanDerWaalsContact C-N 3.32Å; R776-A778 PolarHBondContact O-N 2.76Å; R776-K780 PolarHBondContact O-N 3.29Å |
| 777 | L | 76.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -35.7 | 178 | -68.2 | 167.1 | 0 | 0 | 0 | 112 | F745 Y764 I767 L768 D774 L775 S779 K780 I781 | F745-L777 HydrophobicContact CD2-CD2 3.91Å; F745-L777 HydrophobicContact CE2-CD2 4.08Å; Y764-L777 HydrophobicContact CD1-CD2 3.73Å; Y764-L777 HydrophobicContact CE1-CD2 4.43Å; Y764-L777 HydrophobicContact CG-CD2 4.49Å; I767-L777 HydrophobicContact CB-CD1 3.92Å; I767-L777 HydrophobicContact CB-CD2 4.24Å; I767-L777 HydrophobicContact CD1-CD2 4.23Å; I767-L777 HydrophobicContact CG2-CD1 3.5Å; I767-L777 HydrophobicContact CG2-CD2 4.14Å; I767-L777 HydrophobicContact CG2-CG 4.41Å; L768-L777 HydrophobicContact CB-CD1 4.28Å; L768-L777 HydrophobicContact CD1-CD1 4.34Å; D774-L777 HydrophobicContact CB-CD1 3.8Å; D774-L777 HydrophobicContact CB-CG 4.24Å; D774-L777 PolarHBondContact O-N 3.41Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 PolarHBondContact O-N 2.78Å; L777-S779 VanDerWaalsContact C-N 3.34Å; L777-S779 PolarHBondContact O-N 3.16Å; L777-K780 PolarHBondContact O-N 3.43Å; L777-I781 HydrophobicContact CB-CD1 4.24Å; L777-I781 WeakPolarHBondContact O-CB 3.44Å; L777-I781 WeakPolarHBondContact O-CG1 3.36Å; L777-I781 PolarHBondContact O-N 2.9Å |
| 778 | A | 75.8 | Confident | 79.5 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L775 R776 G782 A801 | L775-A778 PolarHBondContact O-N 2.99Å; R776-A778 VanDerWaalsContact C-N 3.32Å; R776-A778 PolarHBondContact O-N 2.76Å; A778-G782 PolarHBondContact O-N 3.09Å; A778-A801 HydrophobicContact CB-CB 3.77Å |
| 779 | S | 77.8 | Confident | 79.7 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L777 G782 H783 | L777-S779 VanDerWaalsContact C-N 3.34Å; L777-S779 PolarHBondContact O-N 3.16Å; S779-G782 PolarHBondContact O-N 3.44Å; S779-H783 PolarHBondContact O-CD2 3.35Å; S779-H783 PolarHBondContact O-N 3.44Å |
| 780 | K | 83.7 | Confident | 80.1 | Confident | 62 Ų | 62 | 63 Ų | 63 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | -177.5 | -63.9 | -75.3 | 177.2 | 154.9 | 0 | 112.3 | F745 E749 Y764 R776 L777 H783 A784 | F745-K780 HydrophobicContact CE2-CG 4.35Å; F745-K780 HydrophobicContact CZ-CG 4.37Å; E749-K780 IonicContact OE1-NZ 2.94Å; E749-K780 PolarHBondContact OE1-NZ 3.46Å; Y764-K780 HydrophobicContact CE1-CB 4.21Å; Y764-K780 HydrophobicContact CE2-CB 4.08Å; R776-K780 PolarHBondContact O-N 3.29Å; L777-K780 PolarHBondContact O-N 3.43Å; K780-H783 PolarHBondContact O-N 3.38Å; K780-A784 WeakPolarHBondContact O-CB 3.47Å; K780-A784 PolarHBondContact O-N 3Å |
| 781 | I | 85.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.1 | -69.2 | 166.8 | 0 | 0 | 0 | 110.4 | Y764 L768 L777 H783 A784 F785 Y797 | Y764-I781 VanDerWaalsContact CB-CG1 3.43Å; Y764-I781 HydrophobicContact CD2-CG1 4.15Å; Y764-I781 HydrophobicContact CG-CG1 4.04Å; L768-I781 HydrophobicContact CD2-CD1 4.22Å; L777-I781 HydrophobicContact CB-CD1 4.24Å; L777-I781 WeakPolarHBondContact O-CB 3.44Å; L777-I781 WeakPolarHBondContact O-CG1 3.36Å; L777-I781 PolarHBondContact O-N 2.9Å; I781-H783 PolarHBondContact O-N 3.46Å; I781-A784 WeakPolarHBondContact O-CB 3.28Å; I781-A784 PolarHBondContact O-N 3.18Å; I781-F785 HydrophobicContact CG2-CD2 3.6Å; I781-F785 HydrophobicContact CG2-CE2 3.32Å; I781-F785 HydrophobicContact CG2-CZ 4.43Å; I781-F785 VanDerWaalsContact O-CD2 3.23Å; I781-F785 WeakPolarHBondContact O-CD2 3.28Å; I781-F785 PolarHBondContact O-N 3.08Å; I781-Y797 HydrophobicContact CG2-CD1 3.96Å; I781-Y797 HydrophobicContact CG2-CD2 4.06Å; I781-Y797 HydrophobicContact CG2-CE1 3.95Å; I781-Y797 HydrophobicContact CG2-CE2 4.1Å; I781-Y797 HydrophobicContact CG2-CG 4.01Å |
| 782 | G | 84.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A778 S779 A784 F785 I786 | A778-G782 PolarHBondContact O-N 3.09Å; S779-G782 PolarHBondContact O-N 3.44Å; G782-A784 VanDerWaalsContact C-N 3.34Å; G782-A784 PolarHBondContact O-N 3.11Å; G782-F785 PolarHBondContact O-N 3.13Å; G782-I786 VanDerWaalsContact O-CG1 3.29Å; G782-I786 WeakPolarHBondContact O-CG1 3.33Å; G782-I786 PolarHBondContact O-N 2.99Å |
| 783 | H | 85.4 | Confident | 81.9 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 174.2 | -75.2 | -63.8 | 0 | 0 | 0 | 112.7 | S779 K780 I781 I786 K787 Y798 | S779-H783 PolarHBondContact O-CD2 3.35Å; S779-H783 PolarHBondContact O-N 3.44Å; K780-H783 PolarHBondContact O-N 3.38Å; I781-H783 PolarHBondContact O-N 3.46Å; H783-I786 PolarHBondContact O-N 3.46Å; H783-K787 WeakPolarHBondContact O-CG 3.46Å; H783-K787 PolarHBondContact O-N 3.22Å; H783-Y798 PolarHBondContact CD2-OH 3.32Å; H783-Y798 PolarHBondContact CE1-OH 3.35Å; H783-Y798 PolarHBondContact N-OH 2.94Å; H783-Y798 PolarHBondContact ND1-OH 3.23Å; H783-Y798 PolarHBondContact NE2-OH 2.86Å |
| 784 | A | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M752 P757 I761 K780 I781 G782 I786 K787 L788 | M752-A784 HydrophobicContact CE-CB 4.04Å; M752-A784 HydrophobicContact SD-CB 3.57Å; M752-A784 VanDerWaalsContact SD-CB 3.57Å; P757-A784 HydrophobicContact CB-CB 4.22Å; I761-A784 HydrophobicContact CD1-CB 3.9Å; I761-A784 HydrophobicContact CG1-CB 3.55Å; K780-A784 WeakPolarHBondContact O-CB 3.47Å; K780-A784 PolarHBondContact O-N 3Å; I781-A784 WeakPolarHBondContact O-CB 3.28Å; I781-A784 PolarHBondContact O-N 3.18Å; G782-A784 VanDerWaalsContact C-N 3.34Å; G782-A784 PolarHBondContact O-N 3.11Å; A784-I786 PolarHBondContact O-N 3.21Å; A784-K787 PolarHBondContact O-N 2.95Å; A784-L788 PolarHBondContact O-N 3.3Å; A784-L788 VanDerWaalsContact O-N 3.09Å |
| 785 | F | 89.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -35 | 174 | -78.2 | -57.8 | 0 | 0 | 0 | 113.1 | I761 I781 G782 K787 L788 H789 H790 K793 A794 Y797 | I761-F785 HydrophobicContact CD1-CD1 3.74Å; I761-F785 HydrophobicContact CD1-CE1 3.73Å; I761-F785 HydrophobicContact CD1-CG 4.2Å; I761-F785 HydrophobicContact CD1-CZ 4.17Å; I761-F785 HydrophobicContact CG2-CE1 4.29Å; I761-F785 HydrophobicContact CG2-CE2 4.45Å; I761-F785 HydrophobicContact CG2-CZ 3.86Å; I781-F785 HydrophobicContact CG2-CD2 3.6Å; I781-F785 HydrophobicContact CG2-CE2 3.32Å; I781-F785 HydrophobicContact CG2-CZ 4.43Å; I781-F785 VanDerWaalsContact O-CD2 3.23Å; I781-F785 WeakPolarHBondContact O-CD2 3.28Å; I781-F785 PolarHBondContact O-N 3.08Å; G782-F785 PolarHBondContact O-N 3.13Å; F785-K787 VanDerWaalsContact C-N 3.35Å; F785-L788 PolarHBondContact O-N 3.07Å; F785-H789 PolarHBondContact O-N 3.34Å; F785-H790 HydrophobicContact CB-CB 4.34Å; F785-H790 HydrophobicContact CD1-CB 3.77Å; F785-H790 HydrophobicContact CG-CB 4.48Å; F785-H790 PolarHBondContact O-N 3.39Å; F785-K793 HydrophobicContact CD1-CB 3.93Å; F785-K793 HydrophobicContact CD1-CD 4.12Å; F785-K793 HydrophobicContact CD2-CB 4.15Å; F785-K793 HydrophobicContact CE1-CB 4.06Å; F785-K793 HydrophobicContact CE1-CD 3.6Å; F785-K793 HydrophobicContact CE1-CG 4.49Å; F785-K793 HydrophobicContact CE2-CB 4.28Å; F785-K793 HydrophobicContact CG-CB 3.99Å; F785-K793 HydrophobicContact CZ-CB 4.25Å; F785-K793 HydrophobicContact CZ-CD 4.02Å; F785-A794 HydrophobicContact CB-CB 3.72Å; F785-Y797 AromaticContact CD2-CD2 3.83Å; F785-Y797 HydrophobicContact CD2-CD2 3.83Å; F785-Y797 HydrophobicContact CD2-CE2 4.11Å; F785-Y797 AromaticContact CE2-CD2 3.51Å; F785-Y797 HydrophobicContact CE2-CD2 3.51Å; F785-Y797 AromaticContact CE2-CE2 3.31Å; F785-Y797 HydrophobicContact CE2-CE2 3.31Å; F785-Y797 HydrophobicContact CZ-CE2 4.02Å |
| 786 | I | 86.7 | Confident | 84.5 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -44 | 173 | -68 | 167.1 | 0 | 0 | 0 | 110.4 | G782 H783 A784 L788 H789 Y791 A794 Y798 L816 | G782-I786 VanDerWaalsContact O-CG1 3.29Å; G782-I786 WeakPolarHBondContact O-CG1 3.33Å; G782-I786 PolarHBondContact O-N 2.99Å; H783-I786 PolarHBondContact O-N 3.46Å; A784-I786 PolarHBondContact O-N 3.21Å; I786-L788 VanDerWaalsContact C-N 3.28Å; I786-L788 PolarHBondContact O-N 3.24Å; I786-H789 PolarHBondContact O-N 3.36Å; I786-H789 VanDerWaalsContact O-N 3.1Å; I786-Y791 HydrophobicContact CG2-CE1 4.28Å; I786-A794 HydrophobicContact CG1-CB 3.78Å; I786-Y798 HydrophobicContact CD1-CE2 3.69Å; I786-L816 HydrophobicContact CD1-CD1 3.85Å; I786-L816 HydrophobicContact CD1-CD2 4.02Å; I786-L816 HydrophobicContact CD1-CG 4.44Å; I786-L816 HydrophobicContact CG1-CD1 3.73Å; I786-L816 HydrophobicContact CG1-CD2 4.12Å |
| 787 | K | 85.5 | Confident | 85.2 | Confident | 153 Ų | 153 | 48.3 Ų | 48.3 | 67% | 0.665 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.3 | -29.8 | 176.5 | -71 | -70.5 | -177.1 | -178.9 | 0 | 113 | M752 P757 H783 A784 F785 H789 | M752-K787 HydrophobicContact CE-CG 4.4Å; P757-K787 HydrophobicContact CB-CB 4.26Å; P757-K787 HydrophobicContact CG-CB 4.06Å; H783-K787 WeakPolarHBondContact O-CG 3.46Å; H783-K787 PolarHBondContact O-N 3.22Å; A784-K787 PolarHBondContact O-N 2.95Å; F785-K787 VanDerWaalsContact C-N 3.35Å; K787-H789 VanDerWaalsContact C-N 3.3Å |
| 788 | L | 88 | Confident | 85.7 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.4 | 173.3 | -75 | 176.4 | 0 | 0 | 0 | 115 | P757 E758 I761 A784 F785 I786 H790 | P757-L788 HydrophobicContact CB-CD1 4.43Å; P757-L788 HydrophobicContact CB-CD2 4.39Å; P757-L788 HydrophobicContact CB-CG 3.96Å; P757-L788 HydrophobicContact CG-CD1 4.47Å; P757-L788 HydrophobicContact CG-CD2 3.58Å; P757-L788 HydrophobicContact CG-CG 3.61Å; E758-L788 HydrophobicContact CG-CD1 3.86Å; E758-L788 HydrophobicContact CG-CD2 3.46Å; E758-L788 VanDerWaalsContact CG-CD2 3.46Å; E758-L788 HydrophobicContact CG-CG 4.3Å; I761-L788 HydrophobicContact CD1-CD1 3.35Å; I761-L788 HydrophobicContact CD1-CG 4.46Å; A784-L788 PolarHBondContact O-N 3.3Å; A784-L788 VanDerWaalsContact O-N 3.09Å; F785-L788 PolarHBondContact O-N 3.07Å; I786-L788 VanDerWaalsContact C-N 3.28Å; I786-L788 PolarHBondContact O-N 3.24Å; L788-H790 HydrophobicContact CB-CB 4.4Å; L788-H790 WeakPolarHBondContact CB-ND1 3.44Å; L788-H790 PolarHBondContact O-N 2.94Å; L788-H790 VanDerWaalsContact O-N 3.1Å |
| 789 | H | 86.5 | Confident | 86.2 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 62% | 0.62 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 16.8 | -171 | -53 | -75.4 | 0 | 0 | 0 | 114 | F785 I786 K787 Y791 | F785-H789 PolarHBondContact O-N 3.34Å; I786-H789 PolarHBondContact O-N 3.36Å; I786-H789 VanDerWaalsContact O-N 3.1Å; K787-H789 VanDerWaalsContact C-N 3.3Å; H789-Y791 HydrophobicContact CB-CD2 4.47Å; H789-Y791 HydrophobicContact CB-CE2 3.84Å; H789-Y791 AromaticContact ND1-CE2 3.96Å; H789-Y791 AromaticContact ND1-CZ 3.6Å; H789-Y791 PolarHBondContact ND1-OH 3.3Å; H789-Y791 WeakPolarHBondContact O-CD2 3.45Å; H789-Y791 PolarHBondContact O-N 2.66Å |
| 790 | H | 89.2 | Confident | 86.4 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | trans | -85 | 55.5 | 173.1 | -72.2 | 132.3 | 0 | 0 | 0 | 111 | F785 L788 A792 K793 A794 | F785-H790 HydrophobicContact CB-CB 4.34Å; F785-H790 HydrophobicContact CD1-CB 3.77Å; F785-H790 HydrophobicContact CG-CB 4.48Å; F785-H790 PolarHBondContact O-N 3.39Å; L788-H790 HydrophobicContact CB-CB 4.4Å; L788-H790 WeakPolarHBondContact CB-ND1 3.44Å; L788-H790 PolarHBondContact O-N 2.94Å; L788-H790 VanDerWaalsContact O-N 3.1Å; H790-A792 VanDerWaalsContact C-N 3.28Å; H790-A792 PolarHBondContact O-N 3.49Å; H790-K793 PolarHBondContact O-N 3.27Å; H790-K793 VanDerWaalsContact O-N 3.11Å; H790-A794 PolarHBondContact O-N 3.45Å; H790-A794 VanDerWaalsContact O-N 3.14Å | ||
| 791 | Y | 88 | Confident | 86.3 | Confident | 70 Ų | 70 | 50 Ų | 50 | 28% | 0.275 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.7 | -34.4 | -171.2 | -58 | -68.1 | 0 | 0 | 0 | 114.2 | I786 H789 K793 A794 I795 L816 M820 | I786-Y791 HydrophobicContact CG2-CE1 4.28Å; H789-Y791 HydrophobicContact CB-CD2 4.47Å; H789-Y791 HydrophobicContact CB-CE2 3.84Å; H789-Y791 AromaticContact ND1-CE2 3.96Å; H789-Y791 AromaticContact ND1-CZ 3.6Å; H789-Y791 PolarHBondContact ND1-OH 3.3Å; H789-Y791 WeakPolarHBondContact O-CD2 3.45Å; H789-Y791 PolarHBondContact O-N 2.66Å; Y791-K793 VanDerWaalsContact C-N 3.34Å; Y791-K793 PolarHBondContact O-N 3.07Å; Y791-A794 PolarHBondContact O-N 3.28Å; Y791-I795 VanDerWaalsContact O-CG1 3.27Å; Y791-I795 WeakPolarHBondContact O-CG1 3.4Å; Y791-I795 PolarHBondContact O-N 3.37Å; Y791-L816 HydrophobicContact CD1-CD1 3.9Å; Y791-L816 HydrophobicContact CE1-CD1 4.42Å; Y791-M820 VanDerWaalsContact CB-CE 3.45Å; Y791-M820 WeakPolarHBondContact CB-SD 3.45Å; Y791-M820 HydrophobicContact CD1-CG 4.42Å; Y791-M820 HydrophobicContact CD1-SD 4Å; Y791-M820 HydrophobicContact CD2-CE 4.04Å; Y791-M820 HydrophobicContact CD2-SD 3.34Å; Y791-M820 WeakPolarHBondContact CD2-SD 3.28Å; Y791-M820 HydrophobicContact CE2-SD 4.08Å; Y791-M820 HydrophobicContact CG-CE 4.02Å; Y791-M820 HydrophobicContact CG-CG 4.1Å; Y791-M820 HydrophobicContact CG-SD 3.27Å |
| 792 | A | 87.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H790 S796 | H790-A792 VanDerWaalsContact C-N 3.28Å; H790-A792 PolarHBondContact O-N 3.49Å; A792-S796 PolarHBondContact O-N 3.21Å; A792-S796 VanDerWaalsContact O-N 3.13Å |
| 793 | K | 86.6 | Confident | 86 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.2 | -42.5 | 175.3 | -67.6 | -176.5 | 177.9 | -179.6 | 0 | 110.8 | F785 H790 Y791 I795 S796 Y797 | F785-K793 HydrophobicContact CD1-CB 3.93Å; F785-K793 HydrophobicContact CD1-CD 4.12Å; F785-K793 HydrophobicContact CD2-CB 4.15Å; F785-K793 HydrophobicContact CE1-CB 4.06Å; F785-K793 HydrophobicContact CE1-CD 3.6Å; F785-K793 HydrophobicContact CE1-CG 4.49Å; F785-K793 HydrophobicContact CE2-CB 4.28Å; F785-K793 HydrophobicContact CG-CB 3.99Å; F785-K793 HydrophobicContact CZ-CB 4.25Å; F785-K793 HydrophobicContact CZ-CD 4.02Å; H790-K793 PolarHBondContact O-N 3.27Å; H790-K793 VanDerWaalsContact O-N 3.11Å; Y791-K793 VanDerWaalsContact C-N 3.34Å; Y791-K793 PolarHBondContact O-N 3.07Å; K793-I795 VanDerWaalsContact C-N 3.31Å; K793-I795 PolarHBondContact O-N 3.1Å; K793-S796 WeakPolarHBondContact CA-OG 3.44Å; K793-S796 PolarHBondContact O-N 3.44Å; K793-S796 PolarHBondContact O-OG 3.22Å; K793-Y797 VanDerWaalsContact O-CD2 3.28Å; K793-Y797 WeakPolarHBondContact O-CD2 3.38Å; K793-Y797 PolarHBondContact O-N 2.94Å |
| 794 | A | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F785 I786 H790 Y791 S796 Y797 Y798 L816 | F785-A794 HydrophobicContact CB-CB 3.72Å; I786-A794 HydrophobicContact CG1-CB 3.78Å; H790-A794 PolarHBondContact O-N 3.45Å; H790-A794 VanDerWaalsContact O-N 3.14Å; Y791-A794 PolarHBondContact O-N 3.28Å; A794-S796 PolarHBondContact O-N 2.98Å; A794-Y797 PolarHBondContact O-N 3.01Å; A794-Y798 PolarHBondContact O-N 3.22Å; A794-L816 HydrophobicContact CB-CD2 3.94Å |
| 795 | I | 86.2 | Confident | 84.8 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -46 | 176.8 | -68.5 | 165.2 | 0 | 0 | 0 | 110.7 | Y791 K793 Y797 Y798 E799 L813 L816 L817 M820 | Y791-I795 VanDerWaalsContact O-CG1 3.27Å; Y791-I795 WeakPolarHBondContact O-CG1 3.4Å; Y791-I795 PolarHBondContact O-N 3.37Å; K793-I795 VanDerWaalsContact C-N 3.31Å; K793-I795 PolarHBondContact O-N 3.1Å; I795-Y797 VanDerWaalsContact C-N 3.32Å; I795-Y797 PolarHBondContact O-N 2.73Å; I795-Y798 PolarHBondContact O-N 3.44Å; I795-E799 HydrophobicContact CG2-CG 4.05Å; I795-E799 VanDerWaalsContact O-CB 3.28Å; I795-E799 WeakPolarHBondContact O-CB 3.47Å; I795-E799 VanDerWaalsContact O-CG 3.31Å; I795-E799 WeakPolarHBondContact O-CG 3.41Å; I795-E799 PolarHBondContact O-N 3.44Å; I795-L813 HydrophobicContact CG2-CD1 4.44Å; I795-L816 HydrophobicContact CG1-CD2 3.72Å; I795-L816 HydrophobicContact CG1-CG 4.25Å; I795-L817 HydrophobicContact CD1-CD2 4.06Å; I795-L817 HydrophobicContact CG1-CD2 4.32Å; I795-L817 HydrophobicContact CG2-CD2 4.26Å; I795-M820 HydrophobicContact CD1-CB 4.44Å; I795-M820 HydrophobicContact CD1-CG 4.22Å |
| 796 | S | 87 | Confident | 83.9 | Confident | 56 Ų | 56 | 64 Ų | 64 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 178.4 | 59 | 0 | 0 | 0 | 0 | 112.4 | A792 K793 A794 T800 | A792-S796 PolarHBondContact O-N 3.21Å; A792-S796 VanDerWaalsContact O-N 3.13Å; K793-S796 WeakPolarHBondContact CA-OG 3.44Å; K793-S796 PolarHBondContact O-N 3.44Å; K793-S796 PolarHBondContact O-OG 3.22Å; A794-S796 PolarHBondContact O-N 2.98Å; S796-T800 WeakPolarHBondContact O-CG2 3.41Å; S796-T800 PolarHBondContact O-N 3.2Å; S796-T800 PolarHBondContact O-OG1 3.02Å |
| 797 | Y | 84.5 | Confident | 83.1 | Confident | 57 Ų | 57 | 66 Ų | 66 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 177.8 | -88.4 | -79.9 | 0 | 0 | 0 | 112.4 | I781 F785 K793 A794 I795 T800 A801 | I781-Y797 HydrophobicContact CG2-CD1 3.96Å; I781-Y797 HydrophobicContact CG2-CD2 4.06Å; I781-Y797 HydrophobicContact CG2-CE1 3.95Å; I781-Y797 HydrophobicContact CG2-CE2 4.1Å; I781-Y797 HydrophobicContact CG2-CG 4.01Å; F785-Y797 AromaticContact CD2-CD2 3.83Å; F785-Y797 HydrophobicContact CD2-CD2 3.83Å; F785-Y797 HydrophobicContact CD2-CE2 4.11Å; F785-Y797 AromaticContact CE2-CD2 3.51Å; F785-Y797 HydrophobicContact CE2-CD2 3.51Å; F785-Y797 AromaticContact CE2-CE2 3.31Å; F785-Y797 HydrophobicContact CE2-CE2 3.31Å; F785-Y797 HydrophobicContact CZ-CE2 4.02Å; K793-Y797 VanDerWaalsContact O-CD2 3.28Å; K793-Y797 WeakPolarHBondContact O-CD2 3.38Å; K793-Y797 PolarHBondContact O-N 2.94Å; A794-Y797 PolarHBondContact O-N 3.01Å; I795-Y797 VanDerWaalsContact C-N 3.32Å; I795-Y797 PolarHBondContact O-N 2.73Å; Y797-T800 WeakPolarHBondContact CA-OG1 3.35Å; Y797-T800 PolarHBondContact O-N 3.15Å; Y797-T800 PolarHBondContact O-OG1 3.44Å; Y797-A801 WeakPolarHBondContact O-CB 2.87Å; Y797-A801 PolarHBondContact O-N 3.42Å |
| 798 | Y | 86.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.2 | -74.1 | -12.9 | 0 | 0 | 0 | 112.3 | H783 I786 A794 I795 T800 A801 V802 L809 L813 L816 | H783-Y798 PolarHBondContact CD2-OH 3.32Å; H783-Y798 PolarHBondContact CE1-OH 3.35Å; H783-Y798 PolarHBondContact N-OH 2.94Å; H783-Y798 PolarHBondContact ND1-OH 3.23Å; H783-Y798 PolarHBondContact NE2-OH 2.86Å; I786-Y798 HydrophobicContact CD1-CE2 3.69Å; A794-Y798 PolarHBondContact O-N 3.22Å; I795-Y798 PolarHBondContact O-N 3.44Å; Y798-T800 VanDerWaalsContact C-N 3.27Å; Y798-T800 PolarHBondContact O-N 3.31Å; Y798-A801 PolarHBondContact O-N 3.22Å; Y798-V802 WeakPolarHBondContact O-CB 3.5Å; Y798-V802 VanDerWaalsContact O-CG2 3.29Å; Y798-V802 WeakPolarHBondContact O-CG2 3.36Å; Y798-V802 PolarHBondContact O-N 3.37Å; Y798-L809 HydrophobicContact CD1-CD1 4.28Å; Y798-L813 HydrophobicContact CD2-CB 4.42Å; Y798-L813 HydrophobicContact CD2-CD1 4.35Å; Y798-L816 HydrophobicContact CD2-CD2 3.87Å; Y798-L816 HydrophobicContact CE2-CD2 4.01Å |
| 799 | E | 85.9 | Confident | 82 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 174 | -76.9 | -177.8 | 177.1 | 0 | 0 | 111.1 | I795 K803 L813 K825 | I795-E799 HydrophobicContact CG2-CG 4.05Å; I795-E799 VanDerWaalsContact O-CB 3.28Å; I795-E799 WeakPolarHBondContact O-CB 3.47Å; I795-E799 VanDerWaalsContact O-CG 3.31Å; I795-E799 WeakPolarHBondContact O-CG 3.41Å; I795-E799 PolarHBondContact O-N 3.44Å; E799-K803 VanDerWaalsContact O-CG 3.25Å; E799-K803 WeakPolarHBondContact O-CG 3.45Å; E799-K803 PolarHBondContact O-N 3.35Å; E799-L813 HydrophobicContact CG-CD1 4.5Å; E799-L813 HydrophobicContact CG-CD2 4.15Å; E799-K825 IonicContact OE1-NZ 3.34Å; E799-K825 PolarHBondContact OE1-NZ 2.96Å |
| 800 | T | 83.5 | Confident | 81.7 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 173.3 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | S796 Y797 Y798 V802 K803 T804 | S796-T800 WeakPolarHBondContact O-CG2 3.41Å; S796-T800 PolarHBondContact O-N 3.2Å; S796-T800 PolarHBondContact O-OG1 3.02Å; Y797-T800 WeakPolarHBondContact CA-OG1 3.35Å; Y797-T800 PolarHBondContact O-N 3.15Å; Y797-T800 PolarHBondContact O-OG1 3.44Å; Y798-T800 VanDerWaalsContact C-N 3.27Å; Y798-T800 PolarHBondContact O-N 3.31Å; T800-V802 PolarHBondContact O-N 3.02Å; T800-K803 WeakPolarHBondContact O-CB 3.29Å; T800-K803 PolarHBondContact O-N 3.46Å; T800-T804 WeakPolarHBondContact O-CG2 3.43Å; T800-T804 PolarHBondContact O-N 3.35Å; T800-T804 PolarHBondContact O-OG1 3.32Å |
| 801 | A | 80.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A778 Y797 Y798 K803 T804 G805 Q806 L809 | A778-A801 HydrophobicContact CB-CB 3.77Å; Y797-A801 WeakPolarHBondContact O-CB 2.87Å; Y797-A801 PolarHBondContact O-N 3.42Å; Y798-A801 PolarHBondContact O-N 3.22Å; A801-K803 VanDerWaalsContact C-N 3.33Å; A801-T804 WeakPolarHBondContact CA-OG1 3.46Å; A801-T804 PolarHBondContact O-N 3.42Å; A801-T804 PolarHBondContact O-OG1 3.24Å; A801-G805 PolarHBondContact O-N 3.43Å; A801-Q806 PolarHBondContact O-N 2.99Å; A801-Q806 VanDerWaalsContact O-N 3.08Å; A801-L809 HydrophobicContact CB-CD1 3.79Å |
| 802 | V | 81.5 | Confident | 81.1 | Confident | 26 Ų | 26 | 53 Ų | 53 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Y798 T800 T804 G805 L809 R810 L813 | Y798-V802 WeakPolarHBondContact O-CB 3.5Å; Y798-V802 VanDerWaalsContact O-CG2 3.29Å; Y798-V802 WeakPolarHBondContact O-CG2 3.36Å; Y798-V802 PolarHBondContact O-N 3.37Å; T800-V802 PolarHBondContact O-N 3.02Å; V802-T804 VanDerWaalsContact C-N 3.32Å; V802-T804 PolarHBondContact O-N 2.9Å; V802-G805 PolarHBondContact O-N 3.11Å; V802-L809 HydrophobicContact CG2-CB 4.21Å; V802-R810 HydrophobicContact CG1-CG 3.79Å; V802-R810 HydrophobicContact CG2-CG 4.13Å; V802-L813 HydrophobicContact CG2-CD2 4.12Å |
| 803 | K | 82.1 | Confident | 81 | Confident | 170 Ų | 170 | 49.6 Ų | 49.6 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68 | -29.8 | 174.7 | -74.7 | 172.8 | -176.9 | 176.9 | 0 | 113 | E799 T800 A801 G805 | E799-K803 VanDerWaalsContact O-CG 3.25Å; E799-K803 WeakPolarHBondContact O-CG 3.45Å; E799-K803 PolarHBondContact O-N 3.35Å; T800-K803 WeakPolarHBondContact O-CB 3.29Å; T800-K803 PolarHBondContact O-N 3.46Å; A801-K803 VanDerWaalsContact C-N 3.33Å; K803-G805 VanDerWaalsContact C-N 3.32Å |
| 804 | T | 76.6 | Confident | 81 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.5 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 114 | L775 T800 A801 V802 | L775-T804 WeakPolarHBondContact CD2-OG1 3.43Å; T800-T804 WeakPolarHBondContact O-CG2 3.43Å; T800-T804 PolarHBondContact O-N 3.35Å; T800-T804 PolarHBondContact O-OG1 3.32Å; A801-T804 WeakPolarHBondContact CA-OG1 3.46Å; A801-T804 PolarHBondContact O-N 3.42Å; A801-T804 PolarHBondContact O-OG1 3.24Å; V802-T804 VanDerWaalsContact C-N 3.32Å; V802-T804 PolarHBondContact O-N 2.9Å |
| 805 | G | 72.5 | Confident | 80.9 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.1 | 3.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.8 | A801 V802 K803 N807 | A801-G805 PolarHBondContact O-N 3.43Å; V802-G805 PolarHBondContact O-N 3.11Å; K803-G805 VanDerWaalsContact C-N 3.32Å; G805-N807 PolarHBondContact O-N 3.09Å; G805-N807 VanDerWaalsContact O-N 3.09Å |
| 806 | Q | 70.1 | Confident | 80.9 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | trans | -82.4 | 85.3 | 176.1 | -74.4 | -170.3 | -38 | 0 | 0 | 112.5 | L775 A801 G808 L809 | L775-Q806 HydrophobicContact CB-CG 3.95Å; L775-Q806 HydrophobicContact CD1-CG 4.37Å; L775-Q806 HydrophobicContact CD2-CG 4.21Å; L775-Q806 HydrophobicContact CG-CG 4.43Å; L775-Q806 PolarHBondContact O-NE2 2.98Å; L775-Q806 PolarHBondContact O-OE1 3.32Å; A801-Q806 PolarHBondContact O-N 2.99Å; A801-Q806 VanDerWaalsContact O-N 3.08Å; Q806-G808 VanDerWaalsContact C-N 3.31Å; Q806-G808 PolarHBondContact O-N 3.41Å; Q806-L809 HydrophobicContact CB-CD1 4.13Å; Q806-L809 HydrophobicContact CB-CG 4.28Å; Q806-L809 PolarHBondContact O-N 2.74Å | ||
| 807 | N | 70.1 | Confident | 80.9 | Confident | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.1 | 179.5 | -66.3 | -12.9 | 0 | 0 | 0 | 113.2 | G805 L809 R810 | G805-N807 PolarHBondContact O-N 3.09Å; G805-N807 VanDerWaalsContact O-N 3.09Å; N807-L809 PolarHBondContact O-N 2.91Å; N807-R810 VanDerWaalsContact CG-CZ 3.45Å; N807-R810 VanDerWaalsContact O-CB 3.22Å; N807-R810 WeakPolarHBondContact O-CB 3.41Å; N807-R810 VanDerWaalsContact O-CG 3.29Å; N807-R810 WeakPolarHBondContact O-CG 3.42Å; N807-R810 PolarHBondContact O-N 3.18Å; N807-R810 PolarHBondContact OD1-NE 3.29Å; N807-R810 PolarHBondContact OD1-NH2 3.43Å |
| 808 | G | 72 | Confident | 80.9 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q806 R810 | Q806-G808 VanDerWaalsContact C-N 3.31Å; Q806-G808 PolarHBondContact O-N 3.41Å; G808-R810 PolarHBondContact O-N 2.85Å |
| 809 | L | 77.1 | Confident | 80.8 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.1 | -4 | 178.2 | -64.6 | -178.8 | 0 | 0 | 0 | 114 | Y798 A801 V802 Q806 N807 L811 D812 L813 | Y798-L809 HydrophobicContact CD1-CD1 4.28Å; A801-L809 HydrophobicContact CB-CD1 3.79Å; V802-L809 HydrophobicContact CG2-CB 4.21Å; Q806-L809 HydrophobicContact CB-CD1 4.13Å; Q806-L809 HydrophobicContact CB-CG 4.28Å; Q806-L809 PolarHBondContact O-N 2.74Å; N807-L809 PolarHBondContact O-N 2.91Å; L809-L811 PolarHBondContact O-N 3.37Å; L809-D812 PolarHBondContact O-N 2.94Å; L809-L813 VanDerWaalsContact O-CB 3.28Å; L809-L813 WeakPolarHBondContact O-CB 3.18Å; L809-L813 PolarHBondContact O-N 3.37Å |
| 810 | R | 82.1 | Confident | 80.7 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | -179.2 | -76.5 | 179.1 | -176.5 | 162.4 | -1.1 | 112.2 | V802 N807 G808 L813 A814 L829 M833 | V802-R810 HydrophobicContact CG1-CG 3.79Å; V802-R810 HydrophobicContact CG2-CG 4.13Å; N807-R810 VanDerWaalsContact CG-CZ 3.45Å; N807-R810 VanDerWaalsContact O-CB 3.22Å; N807-R810 WeakPolarHBondContact O-CB 3.41Å; N807-R810 VanDerWaalsContact O-CG 3.29Å; N807-R810 WeakPolarHBondContact O-CG 3.42Å; N807-R810 PolarHBondContact O-N 3.18Å; N807-R810 PolarHBondContact OD1-NE 3.29Å; N807-R810 PolarHBondContact OD1-NH2 3.43Å; G808-R810 PolarHBondContact O-N 2.85Å; R810-L813 PolarHBondContact O-N 3.48Å; R810-A814 WeakPolarHBondContact O-CB 3.49Å; R810-A814 PolarHBondContact O-N 3.42Å; R810-L829 HydrophobicContact CB-CD2 3.91Å; R810-L829 HydrophobicContact CG-CD2 4.42Å; R810-L829 WeakPolarHBondContact O-CD2 3.43Å; R810-M833 HydrophobicContact CB-CE 4.49Å; R810-M833 HydrophobicContact CB-SD 3.8Å |
| 811 | L | 83.1 | Confident | 80.7 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 178.8 | -62.9 | 174.9 | 0 | 0 | 0 | 111 | L809 A814 D815 L830 M833 H853 A854 L857 | L809-L811 PolarHBondContact O-N 3.37Å; L811-A814 WeakPolarHBondContact O-CB 3.47Å; L811-A814 PolarHBondContact O-N 3.33Å; L811-D815 PolarHBondContact O-N 2.86Å; L811-L830 HydrophobicContact CD2-CD2 4.5Å; L811-M833 HydrophobicContact CD2-CE 3.83Å; L811-M833 HydrophobicContact CD2-SD 3.86Å; L811-M833 HydrophobicContact CG-CE 4.13Å; L811-M833 HydrophobicContact CG-SD 4.47Å; L811-H853 HydrophobicContact CD1-CB 4.34Å; L811-A854 HydrophobicContact CD2-CB 3.91Å; L811-L857 HydrophobicContact CD2-CD1 4.36Å |
| 812 | D | 80.8 | Confident | 81 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 174.7 | -66.9 | -29.8 | 0 | 0 | 0 | 112.1 | L809 A814 D815 L816 | L809-D812 PolarHBondContact O-N 2.94Å; D812-A814 VanDerWaalsContact C-N 3.34Å; D812-D815 PolarHBondContact O-N 2.85Å; D812-L816 VanDerWaalsContact O-CB 3.3Å; D812-L816 WeakPolarHBondContact O-CB 3.44Å; D812-L816 PolarHBondContact O-N 2.95Å |
| 813 | L | 85.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.7 | 177.5 | 57.5 | 0 | 0 | 0 | 111 | I795 Y798 E799 V802 L809 R810 L816 L817 L829 | I795-L813 HydrophobicContact CG2-CD1 4.44Å; Y798-L813 HydrophobicContact CD2-CB 4.42Å; Y798-L813 HydrophobicContact CD2-CD1 4.35Å; E799-L813 HydrophobicContact CG-CD1 4.5Å; E799-L813 HydrophobicContact CG-CD2 4.15Å; V802-L813 HydrophobicContact CG2-CD2 4.12Å; L809-L813 VanDerWaalsContact O-CB 3.28Å; L809-L813 WeakPolarHBondContact O-CB 3.18Å; L809-L813 PolarHBondContact O-N 3.37Å; R810-L813 PolarHBondContact O-N 3.48Å; L813-L816 PolarHBondContact O-N 2.79Å; L813-L817 HydrophobicContact CD1-CD1 4.06Å; L813-L817 HydrophobicContact CD1-CG 4.05Å; L813-L817 HydrophobicContact CG-CD1 3.98Å; L813-L817 HydrophobicContact CG-CG 4.43Å; L813-L817 WeakPolarHBondContact O-CB 3.4Å; L813-L817 WeakPolarHBondContact O-CD1 3.39Å; L813-L817 WeakPolarHBondContact O-CG 3.46Å; L813-L817 PolarHBondContact O-N 3.48Å; L813-L829 HydrophobicContact CB-CD1 4.24Å; L813-L829 HydrophobicContact CD2-CD1 3.6Å; L813-L829 HydrophobicContact CG-CD1 3.77Å |
| 814 | A | 85.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R810 L811 D812 L816 L817 I818 L829 L830 L857 | R810-A814 WeakPolarHBondContact O-CB 3.49Å; R810-A814 PolarHBondContact O-N 3.42Å; L811-A814 WeakPolarHBondContact O-CB 3.47Å; L811-A814 PolarHBondContact O-N 3.33Å; D812-A814 VanDerWaalsContact C-N 3.34Å; A814-L816 VanDerWaalsContact C-N 3.34Å; A814-L816 PolarHBondContact O-N 3.44Å; A814-L817 PolarHBondContact O-N 3.14Å; A814-I818 WeakPolarHBondContact O-CG1 3.31Å; A814-I818 PolarHBondContact O-N 3.26Å; A814-L829 HydrophobicContact CB-CD2 4.23Å; A814-L830 HydrophobicContact CB-CD1 4.45Å; A814-L830 HydrophobicContact CB-CD2 3.88Å; A814-L830 HydrophobicContact CB-CG 4.03Å; A814-L857 HydrophobicContact CB-CD1 4.3Å |
| 815 | D | 85.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 177.9 | -168.9 | 49 | 0 | 0 | 0 | 111.7 | L811 D812 L817 I818 N819 L857 K860 | L811-D815 PolarHBondContact O-N 2.86Å; D812-D815 PolarHBondContact O-N 2.85Å; D815-L817 PolarHBondContact O-N 3.19Å; D815-I818 WeakPolarHBondContact O-CB 3.28Å; D815-I818 PolarHBondContact O-N 3.09Å; D815-N819 WeakPolarHBondContact O-CB 3.38Å; D815-N819 PolarHBondContact O-N 3.01Å; D815-N819 PolarHBondContact O-ND2 3.49Å; D815-N819 VanDerWaalsContact O-ND2 3.14Å; D815-N819 PolarHBondContact OD2-ND2 3.5Å; D815-L857 HydrophobicContact CB-CD2 4.12Å; D815-K860 IonicContact OD1-NZ 3.82Å; D815-K860 PolarHBondContact OD1-NZ 3.22Å; D815-K860 VanDerWaalsContact OD1-NZ 3.14Å |
| 816 | L | 85.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 172.8 | -175.1 | 65.3 | 0 | 0 | 0 | 112.3 | I786 Y791 A794 I795 Y798 D812 L813 A814 I818 N819 M820 | I786-L816 HydrophobicContact CD1-CD1 3.85Å; I786-L816 HydrophobicContact CD1-CD2 4.02Å; I786-L816 HydrophobicContact CD1-CG 4.44Å; I786-L816 HydrophobicContact CG1-CD1 3.73Å; I786-L816 HydrophobicContact CG1-CD2 4.12Å; Y791-L816 HydrophobicContact CD1-CD1 3.9Å; Y791-L816 HydrophobicContact CE1-CD1 4.42Å; A794-L816 HydrophobicContact CB-CD2 3.94Å; I795-L816 HydrophobicContact CG1-CD2 3.72Å; I795-L816 HydrophobicContact CG1-CG 4.25Å; Y798-L816 HydrophobicContact CD2-CD2 3.87Å; Y798-L816 HydrophobicContact CE2-CD2 4.01Å; D812-L816 VanDerWaalsContact O-CB 3.3Å; D812-L816 WeakPolarHBondContact O-CB 3.44Å; D812-L816 PolarHBondContact O-N 2.95Å; L813-L816 PolarHBondContact O-N 2.79Å; A814-L816 VanDerWaalsContact C-N 3.34Å; A814-L816 PolarHBondContact O-N 3.44Å; L816-I818 VanDerWaalsContact C-N 3.33Å; L816-I818 PolarHBondContact O-N 3.32Å; L816-N819 PolarHBondContact O-N 3.43Å; L816-M820 WeakPolarHBondContact O-CB 3.29Å; L816-M820 WeakPolarHBondContact O-CG 3.34Å; L816-M820 PolarHBondContact O-N 3.26Å |
| 817 | L | 87.4 | Confident | 83.1 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 177.5 | -72.1 | 168.6 | 0 | 0 | 0 | 112 | I795 L813 A814 D815 M820 K821 Q822 K825 A826 L829 | I795-L817 HydrophobicContact CD1-CD2 4.06Å; I795-L817 HydrophobicContact CG1-CD2 4.32Å; I795-L817 HydrophobicContact CG2-CD2 4.26Å; L813-L817 HydrophobicContact CD1-CD1 4.06Å; L813-L817 HydrophobicContact CD1-CG 4.05Å; L813-L817 HydrophobicContact CG-CD1 3.98Å; L813-L817 HydrophobicContact CG-CG 4.43Å; L813-L817 WeakPolarHBondContact O-CB 3.4Å; L813-L817 WeakPolarHBondContact O-CD1 3.39Å; L813-L817 WeakPolarHBondContact O-CG 3.46Å; L813-L817 PolarHBondContact O-N 3.48Å; A814-L817 PolarHBondContact O-N 3.14Å; D815-L817 PolarHBondContact O-N 3.19Å; L817-M820 PolarHBondContact O-N 3.19Å; L817-K821 PolarHBondContact O-N 2.91Å; L817-Q822 HydrophobicContact CB-CB 4.43Å; L817-Q822 HydrophobicContact CD2-CB 3.89Å; L817-Q822 HydrophobicContact CD2-CG 4.49Å; L817-Q822 VanDerWaalsContact CD2-OE1 3.29Å; L817-Q822 PolarHBondContact O-N 3.29Å; L817-K825 HydrophobicContact CD1-CB 3.99Å; L817-K825 HydrophobicContact CD2-CB 4.2Å; L817-K825 HydrophobicContact CD2-CD 4.17Å; L817-A826 HydrophobicContact CB-CB 3.79Å; L817-L829 HydrophobicContact CD1-CD1 4.4Å |
| 818 | I | 85.1 | Confident | 83.9 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 173.8 | -66.6 | 167 | 0 | 0 | 0 | 109.9 | A814 D815 L816 M820 K821 Y823 A826 L857 L861 I864 | A814-I818 WeakPolarHBondContact O-CG1 3.31Å; A814-I818 PolarHBondContact O-N 3.26Å; D815-I818 WeakPolarHBondContact O-CB 3.28Å; D815-I818 PolarHBondContact O-N 3.09Å; L816-I818 VanDerWaalsContact C-N 3.33Å; L816-I818 PolarHBondContact O-N 3.32Å; I818-M820 PolarHBondContact O-N 3.41Å; I818-K821 PolarHBondContact O-N 2.86Å; I818-K821 VanDerWaalsContact O-N 3.09Å; I818-Y823 WeakPolarHBondContact O-CE1 3.49Å; I818-A826 HydrophobicContact CG1-CB 3.87Å; I818-L857 HydrophobicContact CD1-CB 4.12Å; I818-L857 HydrophobicContact CD1-CD2 4.12Å; I818-L861 HydrophobicContact CB-CD2 4.42Å; I818-L861 HydrophobicContact CD1-CD1 3.97Å; I818-L861 HydrophobicContact CD1-CD2 4.27Å; I818-L861 HydrophobicContact CD1-CG 3.74Å; I818-L861 HydrophobicContact CG1-CD1 3.97Å; I818-L861 HydrophobicContact CG1-CD2 3.61Å; I818-L861 HydrophobicContact CG1-CG 3.65Å; I818-L861 HydrophobicContact CG2-CD2 4.3Å; I818-I864 HydrophobicContact CG2-CD1 4.34Å |
| 819 | N | 83.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.3 | -31.1 | 179.1 | -66.4 | -29.6 | 0 | 0 | 0 | 112.1 | D815 L816 K821 | D815-N819 WeakPolarHBondContact O-CB 3.38Å; D815-N819 PolarHBondContact O-N 3.01Å; D815-N819 PolarHBondContact O-ND2 3.49Å; D815-N819 VanDerWaalsContact O-ND2 3.14Å; D815-N819 PolarHBondContact OD2-ND2 3.5Å; L816-N819 PolarHBondContact O-N 3.43Å; N819-K821 VanDerWaalsContact C-N 3.31Å; N819-K821 PolarHBondContact O-N 3.08Å |
| 820 | M | 84.3 | Confident | 84.8 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.7 | 175.8 | -74.4 | -62.6 | -69.1 | 0 | 0 | 115.1 | Y791 I795 L816 L817 I818 Q822 | Y791-M820 VanDerWaalsContact CB-CE 3.45Å; Y791-M820 WeakPolarHBondContact CB-SD 3.45Å; Y791-M820 HydrophobicContact CD1-CG 4.42Å; Y791-M820 HydrophobicContact CD1-SD 4Å; Y791-M820 HydrophobicContact CD2-CE 4.04Å; Y791-M820 HydrophobicContact CD2-SD 3.34Å; Y791-M820 WeakPolarHBondContact CD2-SD 3.28Å; Y791-M820 HydrophobicContact CE2-SD 4.08Å; Y791-M820 HydrophobicContact CG-CE 4.02Å; Y791-M820 HydrophobicContact CG-CG 4.1Å; Y791-M820 HydrophobicContact CG-SD 3.27Å; I795-M820 HydrophobicContact CD1-CB 4.44Å; I795-M820 HydrophobicContact CD1-CG 4.22Å; L816-M820 WeakPolarHBondContact O-CB 3.29Å; L816-M820 WeakPolarHBondContact O-CG 3.34Å; L816-M820 PolarHBondContact O-N 3.26Å; L817-M820 PolarHBondContact O-N 3.19Å; I818-M820 PolarHBondContact O-N 3.41Å; M820-Q822 HydrophobicContact CB-CG 4.41Å; M820-Q822 PolarHBondContact O-N 2.97Å; M820-Q822 VanDerWaalsContact O-N 3.15Å |
| 821 | K | 84.3 | Confident | 85 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19.1 | -177.1 | -48.4 | -171.4 | 176.8 | -178.3 | 0 | 114.6 | L817 I818 N819 Y823 | L817-K821 PolarHBondContact O-N 2.91Å; I818-K821 PolarHBondContact O-N 2.86Å; I818-K821 VanDerWaalsContact O-N 3.09Å; N819-K821 VanDerWaalsContact C-N 3.31Å; N819-K821 PolarHBondContact O-N 3.08Å; K821-Y823 HydrophobicContact CB-CE1 4.36Å; K821-Y823 HydrophobicContact CB-CE2 3.95Å; K821-Y823 WeakPolarHBondContact CG-OH 3.38Å; K821-Y823 PolarHBondContact O-N 3.21Å; K821-Y823 VanDerWaalsContact O-N 3.09Å |
| 822 | Q | 86.6 | Confident | 84.9 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | trans | -86.8 | 53.6 | 174.9 | -64.4 | -169.1 | 12.5 | 0 | 0 | 110.9 | L817 M820 K824 K825 A826 | L817-Q822 HydrophobicContact CB-CB 4.43Å; L817-Q822 HydrophobicContact CD2-CB 3.89Å; L817-Q822 HydrophobicContact CD2-CG 4.49Å; L817-Q822 VanDerWaalsContact CD2-OE1 3.29Å; L817-Q822 PolarHBondContact O-N 3.29Å; M820-Q822 HydrophobicContact CB-CG 4.41Å; M820-Q822 PolarHBondContact O-N 2.97Å; M820-Q822 VanDerWaalsContact O-N 3.15Å; Q822-K824 VanDerWaalsContact C-N 3.29Å; Q822-K824 PolarHBondContact O-N 3Å; Q822-K825 PolarHBondContact O-N 3.46Å; Q822-A826 PolarHBondContact O-N 2.96Å; Q822-A826 VanDerWaalsContact O-N 3.17Å | ||
| 823 | Y | 86 | Confident | 84.8 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.7 | -39.2 | -170.1 | -51.5 | -52.7 | 0 | 0 | 0 | 113.2 | I818 K821 K825 A826 K827 L861 I864 | I818-Y823 WeakPolarHBondContact O-CE1 3.49Å; K821-Y823 HydrophobicContact CB-CE1 4.36Å; K821-Y823 HydrophobicContact CB-CE2 3.95Å; K821-Y823 WeakPolarHBondContact CG-OH 3.38Å; K821-Y823 PolarHBondContact O-N 3.21Å; K821-Y823 VanDerWaalsContact O-N 3.09Å; Y823-K825 VanDerWaalsContact C-N 3.34Å; Y823-K825 PolarHBondContact O-N 3.25Å; Y823-A826 PolarHBondContact O-N 2.93Å; Y823-K827 VanDerWaalsContact O-CB 3.27Å; Y823-K827 WeakPolarHBondContact O-CB 3.31Å; Y823-K827 PolarHBondContact O-N 3.14Å; Y823-L861 HydrophobicContact CD1-CD2 3.47Å; Y823-L861 VanDerWaalsContact CD1-CD2 3.47Å; Y823-L861 HydrophobicContact CE1-CD2 4.36Å; Y823-L861 HydrophobicContact CG-CD2 4.14Å; Y823-I864 HydrophobicContact CE1-CD1 3.82Å; Y823-I864 HydrophobicContact CE1-CG2 4.29Å; Y823-I864 HydrophobicContact CE2-CG2 4.16Å |
| 824 | K | 85.6 | Confident | 84.5 | Confident | 169 Ų | 169 | 58.6 Ų | 58.6 | 74% | 0.735 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 178.9 | -66 | -175.5 | -179 | 179.9 | 0 | 112.8 | Q822 R828 | Q822-K824 VanDerWaalsContact C-N 3.29Å; Q822-K824 PolarHBondContact O-N 3Å; K824-R828 WeakPolarHBondContact O-CG 3.46Å; K824-R828 PolarHBondContact O-N 3.41Å |
| 825 | K | 85.5 | Confident | 84.1 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 177.6 | -74.1 | -166.4 | 178.9 | -173.8 | 0 | 110.9 | E799 L817 Q822 Y823 K827 R828 L829 | E799-K825 IonicContact OE1-NZ 3.34Å; E799-K825 PolarHBondContact OE1-NZ 2.96Å; L817-K825 HydrophobicContact CD1-CB 3.99Å; L817-K825 HydrophobicContact CD2-CB 4.2Å; L817-K825 HydrophobicContact CD2-CD 4.17Å; Q822-K825 PolarHBondContact O-N 3.46Å; Y823-K825 VanDerWaalsContact C-N 3.34Å; Y823-K825 PolarHBondContact O-N 3.25Å; K825-K827 VanDerWaalsContact C-N 3.32Å; K825-K827 PolarHBondContact O-N 2.81Å; K825-R828 PolarHBondContact O-N 2.93Å; K825-L829 PolarHBondContact O-N 3.35Å |
| 826 | A | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L817 I818 Q822 Y823 R828 L829 L830 L861 | L817-A826 HydrophobicContact CB-CB 3.79Å; I818-A826 HydrophobicContact CG1-CB 3.87Å; Q822-A826 PolarHBondContact O-N 2.96Å; Q822-A826 VanDerWaalsContact O-N 3.17Å; Y823-A826 PolarHBondContact O-N 2.93Å; A826-R828 PolarHBondContact O-N 3.29Å; A826-L829 PolarHBondContact O-N 3.07Å; A826-L830 WeakPolarHBondContact O-CG 3.47Å; A826-L830 PolarHBondContact O-N 3.21Å; A826-L861 HydrophobicContact CB-CD1 3.87Å; A826-L861 HydrophobicContact CB-CD2 4.43Å |
| 827 | K | 84.7 | Confident | 82.8 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.9 | -164.1 | 166.7 | -171.7 | 166.4 | 0 | 111.1 | Y823 K825 L829 L830 H831 E865 E871 | Y823-K827 VanDerWaalsContact O-CB 3.27Å; Y823-K827 WeakPolarHBondContact O-CB 3.31Å; Y823-K827 PolarHBondContact O-N 3.14Å; K825-K827 VanDerWaalsContact C-N 3.32Å; K825-K827 PolarHBondContact O-N 2.81Å; K827-L829 PolarHBondContact O-N 3.44Å; K827-L830 PolarHBondContact O-N 2.95Å; K827-H831 WeakPolarHBondContact CG-CE1 3.26Å; K827-H831 WeakPolarHBondContact O-CB 3.32Å; K827-H831 PolarHBondContact O-N 3.24Å; K827-H831 PolarHBondContact O-ND1 3.36Å; K827-E865 IonicContact NZ-OE2 3.27Å; K827-E865 PolarHBondContact NZ-OE2 2.96Å; K827-E871 IonicContact NZ-OE2 3.81Å; K827-E871 PolarHBondContact NZ-OE2 3.19Å |
| 828 | R | 86.2 | Confident | 82.2 | Confident | 186 Ų | 186 | 75.5 Ų | 75.5 | 70% | 0.702 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.8 | -42.8 | 176.5 | -72 | 175 | -170.3 | 166.1 | 1.3 | 112.7 | K824 K825 A826 S832 | K824-R828 WeakPolarHBondContact O-CG 3.46Å; K824-R828 PolarHBondContact O-N 3.41Å; K825-R828 PolarHBondContact O-N 2.93Å; A826-R828 PolarHBondContact O-N 3.29Å; R828-S832 PolarHBondContact O-N 3.38Å; R828-S832 VanDerWaalsContact O-N 3.13Å |
| 829 | L | 85.2 | Confident | 81.6 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 179.5 | -166.6 | 163.6 | 0 | 0 | 0 | 111 | R810 L813 A814 L817 K825 A826 K827 S832 M833 | R810-L829 HydrophobicContact CB-CD2 3.91Å; R810-L829 HydrophobicContact CG-CD2 4.42Å; R810-L829 WeakPolarHBondContact O-CD2 3.43Å; L813-L829 HydrophobicContact CB-CD1 4.24Å; L813-L829 HydrophobicContact CD2-CD1 3.6Å; L813-L829 HydrophobicContact CG-CD1 3.77Å; A814-L829 HydrophobicContact CB-CD2 4.23Å; L817-L829 HydrophobicContact CD1-CD1 4.4Å; K825-L829 PolarHBondContact O-N 3.35Å; A826-L829 PolarHBondContact O-N 3.07Å; K827-L829 PolarHBondContact O-N 3.44Å; L829-S832 WeakPolarHBondContact O-CB 3.24Å; L829-S832 PolarHBondContact O-N 3.36Å; L829-S832 PolarHBondContact O-OG 3.47Å; L829-M833 HydrophobicContact CD2-SD 4.19Å; L829-M833 PolarHBondContact O-N 3.01Å |
| 830 | L | 83.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.8 | -68.9 | 168.8 | 0 | 0 | 0 | 112.8 | L811 A814 A826 K827 S832 M833 L834 A854 L857 L858 L861 | L811-L830 HydrophobicContact CD2-CD2 4.5Å; A814-L830 HydrophobicContact CB-CD1 4.45Å; A814-L830 HydrophobicContact CB-CD2 3.88Å; A814-L830 HydrophobicContact CB-CG 4.03Å; A826-L830 WeakPolarHBondContact O-CG 3.47Å; A826-L830 PolarHBondContact O-N 3.21Å; K827-L830 PolarHBondContact O-N 2.95Å; L830-S832 PolarHBondContact O-N 2.99Å; L830-M833 PolarHBondContact O-N 3.46Å; L830-L834 WeakPolarHBondContact O-CB 3.39Å; L830-L834 WeakPolarHBondContact O-CG 3.38Å; L830-L834 PolarHBondContact O-N 2.95Å; L830-L834 VanDerWaalsContact O-N 3.07Å; L830-A854 HydrophobicContact CD2-CB 4.23Å; L830-L857 HydrophobicContact CD1-CB 4.02Å; L830-L857 HydrophobicContact CD2-CB 4.19Å; L830-L857 HydrophobicContact CD2-CD1 4.35Å; L830-L858 HydrophobicContact CB-CD1 4.45Å; L830-L858 HydrophobicContact CD1-CB 4.38Å; L830-L861 HydrophobicContact CD1-CD1 3.56Å |
| 831 | H | 84.7 | Confident | 80.7 | Confident | 91 Ų | 91 | 80.2 Ų | 80.2 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.2 | -31 | 175.2 | -76.4 | 70.1 | 0 | 0 | 0 | 112.1 | K827 M833 L834 | K827-H831 WeakPolarHBondContact CG-CE1 3.26Å; K827-H831 WeakPolarHBondContact O-CB 3.32Å; K827-H831 PolarHBondContact O-N 3.24Å; K827-H831 PolarHBondContact O-ND1 3.36Å; H831-M833 PolarHBondContact O-N 3.21Å; H831-L834 PolarHBondContact O-N 3.08Å |
| 832 | S | 82.2 | Confident | 80.2 | Confident | 72 Ų | 72 | 73 Ų | 73 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.2 | -22.3 | 174.3 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | R828 L829 L830 | R828-S832 PolarHBondContact O-N 3.38Å; R828-S832 VanDerWaalsContact O-N 3.13Å; L829-S832 WeakPolarHBondContact O-CB 3.24Å; L829-S832 PolarHBondContact O-N 3.36Å; L829-S832 PolarHBondContact O-OG 3.47Å; L830-S832 PolarHBondContact O-N 2.99Å |
| 833 | M | 77.6 | Confident | 79.5 | Confident | 26 Ų | 26 | 72 Ų | 72 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -89.8 | -22.9 | 174.4 | -62 | -175.2 | 69.2 | 0 | 0 | 112.7 | R810 L811 L829 L830 H831 | R810-M833 HydrophobicContact CB-CE 4.49Å; R810-M833 HydrophobicContact CB-SD 3.8Å; L811-M833 HydrophobicContact CD2-CE 3.83Å; L811-M833 HydrophobicContact CD2-SD 3.86Å; L811-M833 HydrophobicContact CG-CE 4.13Å; L811-M833 HydrophobicContact CG-SD 4.47Å; L829-M833 HydrophobicContact CD2-SD 4.19Å; L829-M833 PolarHBondContact O-N 3.01Å; L830-M833 PolarHBondContact O-N 3.46Å; H831-M833 PolarHBondContact O-N 3.21Å |
| 834 | L | 79.3 | Confident | 79.1 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | trans | -110 | 46.8 | -171.3 | -65.4 | 168.5 | 0 | 0 | 0 | 111.9 | L830 H831 M839 L851 A854 L855 L858 | L830-L834 WeakPolarHBondContact O-CB 3.39Å; L830-L834 WeakPolarHBondContact O-CG 3.38Å; L830-L834 PolarHBondContact O-N 2.95Å; L830-L834 VanDerWaalsContact O-N 3.07Å; H831-L834 PolarHBondContact O-N 3.08Å; L834-M839 HydrophobicContact CB-SD 4.45Å; L834-M839 HydrophobicContact CD2-SD 4.43Å; L834-L851 HydrophobicContact CD2-CD2 3.92Å; L834-A854 HydrophobicContact CD1-CB 4.27Å; L834-A854 HydrophobicContact CD2-CB 4.04Å; L834-A854 HydrophobicContact CG-CB 4.2Å; L834-L855 HydrophobicContact CD1-CD2 3.85Å; L834-L855 HydrophobicContact CD1-CG 4.33Å; L834-L855 HydrophobicContact CD2-CD2 3.85Å; L834-L855 HydrophobicContact CD2-CG 3.74Å; L834-L855 HydrophobicContact CG-CD2 4.46Å; L834-L858 HydrophobicContact CD1-CB 4.31Å; L834-L858 HydrophobicContact CD1-CD2 3.91Å | ||
| 835 | T | 77.9 | Confident | 78.7 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | trans | -77.7 | 141.6 | 170 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | E837 I838 M839 | T835-E837 PolarHBondContact O-N 3.23Å; T835-E837 VanDerWaalsContact O-N 3.07Å; T835-I838 PolarHBondContact O-N 3.04Å; T835-I838 WeakPolarHBondContact OG1-CD1 3.42Å; T835-I838 WeakPolarHBondContact OG1-CG1 3.31Å; T835-M839 PolarHBondContact O-N 3.37Å | ||
| 836 | N | 72 | Confident | 78.4 | Confident | 125 Ų | 125 | 68.2 Ų | 68.2 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -51.1 | -37.5 | -177.7 | -70.3 | -10.9 | 0 | 0 | 0 | 113 | I838 M839 E840 | N836-I838 PolarHBondContact O-N 3.31Å; N836-M839 PolarHBondContact O-N 3.15Å; N836-E840 PolarHBondContact O-N 3.39Å |
| 837 | E | 71.2 | Confident | 78.2 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.9 | -47.7 | 176.8 | -65.2 | 177.3 | -178.3 | 0 | 0 | 112.6 | T835 M839 E840 S841 | T835-E837 PolarHBondContact O-N 3.23Å; T835-E837 VanDerWaalsContact O-N 3.07Å; E837-M839 VanDerWaalsContact C-N 3.33Å; E837-M839 PolarHBondContact O-N 3.22Å; E837-E840 PolarHBondContact O-N 3.21Å; E837-S841 WeakPolarHBondContact O-CB 3.25Å; E837-S841 PolarHBondContact O-N 3.39Å; E837-S841 PolarHBondContact O-OG 3.03Å |
| 838 | I | 74.6 | Confident | 78 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 36% | 0.359 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 179.8 | -62.9 | 173 | 0 | 0 | 0 | 110.5 | T835 N836 E840 S841 A842 L851 | T835-I838 PolarHBondContact O-N 3.04Å; T835-I838 WeakPolarHBondContact OG1-CD1 3.42Å; T835-I838 WeakPolarHBondContact OG1-CG1 3.31Å; N836-I838 PolarHBondContact O-N 3.31Å; I838-E840 VanDerWaalsContact C-N 3.33Å; I838-E840 PolarHBondContact O-N 3.47Å; I838-S841 WeakPolarHBondContact CA-OG 3.46Å; I838-S841 PolarHBondContact O-OG 3.44Å; I838-A842 WeakPolarHBondContact O-CB 3.28Å; I838-A842 PolarHBondContact O-N 3.48Å; I838-A842 VanDerWaalsContact O-N 3.11Å; I838-L851 HydrophobicContact CG2-CD2 4.08Å |
| 839 | M | 72.5 | Confident | 77.8 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | -179.7 | -67.1 | 173.6 | 64.5 | 0 | 0 | 111.9 | L834 T835 N836 E837 L851 L855 I882 R885 | L834-M839 HydrophobicContact CB-SD 4.45Å; L834-M839 HydrophobicContact CD2-SD 4.43Å; T835-M839 PolarHBondContact O-N 3.37Å; N836-M839 PolarHBondContact O-N 3.15Å; E837-M839 VanDerWaalsContact C-N 3.33Å; E837-M839 PolarHBondContact O-N 3.22Å; M839-L851 HydrophobicContact CG-CD2 4.39Å; M839-L855 HydrophobicContact CE-CD1 4.43Å; M839-I882 HydrophobicContact CE-CD1 4.12Å; M839-R885 PolarHBondContact O-NH1 3.38Å; M839-R885 PolarHBondContact O-NH2 3.31Å |
| 840 | E | 74.2 | Confident | 77.7 | Confident | 159 Ų | 159 | 69.1 Ų | 69.1 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -78.2 | -39.1 | 176.6 | -71.8 | -178.8 | -179.2 | 0 | 0 | 112.2 | N836 E837 I838 | N836-E840 PolarHBondContact O-N 3.39Å; E837-E840 PolarHBondContact O-N 3.21Å; I838-E840 VanDerWaalsContact C-N 3.33Å; I838-E840 PolarHBondContact O-N 3.47Å |
| 841 | S | 75.3 | Confident | 77.7 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.5 | -27.6 | -177.4 | 69 | 0 | 0 | 0 | 0 | 114.4 | E837 I838 S843 | E837-S841 WeakPolarHBondContact O-CB 3.25Å; E837-S841 PolarHBondContact O-N 3.39Å; E837-S841 PolarHBondContact O-OG 3.03Å; I838-S841 WeakPolarHBondContact CA-OG 3.46Å; I838-S841 PolarHBondContact O-OG 3.44Å; S841-S843 PolarHBondContact O-N 2.9Å |
| 842 | A | 73.9 | Confident | 77.8 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | trans | -60.5 | 121.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I838 E847 L848 L851 | I838-A842 WeakPolarHBondContact O-CB 3.28Å; I838-A842 PolarHBondContact O-N 3.48Å; I838-A842 VanDerWaalsContact O-N 3.11Å; A842-E847 HydrophobicContact CB-CB 4.18Å; A842-L848 HydrophobicContact CB-CD2 4.11Å; A842-L851 HydrophobicContact CB-CD1 3.47Å; A842-L851 VanDerWaalsContact CB-CD1 3.47Å | ||
| 843 | S | 71.3 | Confident | 77.9 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | trans | -117.3 | -36.4 | 178 | 63 | 0 | 0 | 0 | 0 | 112.1 | S841 E847 R889 | S841-S843 PolarHBondContact O-N 2.9Å; S843-E847 PolarHBondContact N-OE2 3.48Å; S843-R889 VanDerWaalsContact C-NH1 3.29Å; S843-R889 VanDerWaalsContact CB-NH2 3.33Å; S843-R889 WeakPolarHBondContact O-CD 3.29Å; S843-R889 PolarHBondContact O-NE 3.37Å; S843-R889 PolarHBondContact O-NH1 2.84Å | ||
| 844 | D | 77.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 65.2 Ų | 65.2 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.8 | 148.2 | -170.6 | -72.7 | -2.3 | 0 | 0 | 0 | 112 | N846 E847 L848 | D844-N846 PolarHBondContact O-N 3.14Å; D844-E847 HydrophobicContact CB-CB 4.43Å; D844-E847 HydrophobicContact CB-CG 4.08Å; D844-E847 PolarHBondContact O-N 2.88Å; D844-L848 VanDerWaalsContact O-CG 3.31Å; D844-L848 WeakPolarHBondContact O-CG 3.48Å; D844-L848 PolarHBondContact O-N 3.35Å |
| 845 | I | 78.6 | Confident | 78.6 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 29% | 0.292 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | -177.5 | -63.5 | 173.8 | 0 | 0 | 0 | 110.4 | L848 Q849 | I845-L848 PolarHBondContact O-N 3.1Å; I845-Q849 VanDerWaalsContact O-CG 3.31Å; I845-Q849 WeakPolarHBondContact O-CG 3.49Å; I845-Q849 PolarHBondContact O-N 3.13Å |
| 846 | N | 78.9 | Confident | 79 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 179.5 | -66.2 | -2.2 | 0 | 0 | 0 | 112.1 | D844 L848 Q849 E850 | D844-N846 PolarHBondContact O-N 3.14Å; N846-L848 VanDerWaalsContact C-N 3.34Å; N846-L848 PolarHBondContact O-N 3.23Å; N846-Q849 PolarHBondContact O-N 2.98Å; N846-E850 WeakPolarHBondContact O-CG 3.49Å; N846-E850 PolarHBondContact O-N 3.24Å |
| 847 | E | 79.9 | Confident | 79.6 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176 | -65.3 | -179.9 | 159.9 | 0 | 0 | 111.3 | A842 S843 D844 Q849 E850 L851 | A842-E847 HydrophobicContact CB-CB 4.18Å; S843-E847 PolarHBondContact N-OE2 3.48Å; D844-E847 HydrophobicContact CB-CB 4.43Å; D844-E847 HydrophobicContact CB-CG 4.08Å; D844-E847 PolarHBondContact O-N 2.88Å; E847-Q849 VanDerWaalsContact C-N 3.32Å; E847-Q849 PolarHBondContact O-N 3.12Å; E847-E850 PolarHBondContact O-N 2.97Å; E847-L851 WeakPolarHBondContact O-CB 3.37Å; E847-L851 VanDerWaalsContact O-CG 3.3Å; E847-L851 WeakPolarHBondContact O-CG 3.43Å; E847-L851 PolarHBondContact O-N 2.98Å |
| 848 | L | 81.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | 176.2 | -66.9 | 171.8 | 0 | 0 | 0 | 111.6 | A842 D844 I845 N846 C852 I882 L886 | A842-L848 HydrophobicContact CB-CD2 4.11Å; D844-L848 VanDerWaalsContact O-CG 3.31Å; D844-L848 WeakPolarHBondContact O-CG 3.48Å; D844-L848 PolarHBondContact O-N 3.35Å; I845-L848 PolarHBondContact O-N 3.1Å; N846-L848 VanDerWaalsContact C-N 3.34Å; N846-L848 PolarHBondContact O-N 3.23Å; L848-C852 WeakPolarHBondContact O-CB 3.32Å; L848-C852 PolarHBondContact O-N 2.97Å; L848-C852 PolarHBondContact O-SG 3.45Å; L848-C852 VanDerWaalsContact O-SG 3.39Å; L848-I882 HydrophobicContact CB-CG2 4.32Å; L848-I882 HydrophobicContact CD2-CG2 3.84Å; L848-L886 HydrophobicContact CB-CB 4.47Å; L848-L886 HydrophobicContact CB-CD1 3.97Å; L848-L886 HydrophobicContact CD1-CB 4.42Å |
| 849 | Q | 82.7 | Confident | 80.8 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 174.6 | -75.3 | 178.6 | -3.1 | 0 | 0 | 112.5 | I845 N846 E847 L851 C852 H853 L886 | I845-Q849 VanDerWaalsContact O-CG 3.31Å; I845-Q849 WeakPolarHBondContact O-CG 3.49Å; I845-Q849 PolarHBondContact O-N 3.13Å; N846-Q849 PolarHBondContact O-N 2.98Å; E847-Q849 VanDerWaalsContact C-N 3.32Å; E847-Q849 PolarHBondContact O-N 3.12Å; Q849-L851 PolarHBondContact O-N 2.92Å; Q849-C852 PolarHBondContact O-N 3.35Å; Q849-H853 PolarHBondContact O-N 3.35Å; Q849-L886 HydrophobicContact CG-CD1 3.81Å |
| 850 | E | 81.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.6 | -74.8 | -175.4 | -173.8 | 0 | 0 | 111.4 | N846 E847 H853 A854 | N846-E850 WeakPolarHBondContact O-CG 3.49Å; N846-E850 PolarHBondContact O-N 3.24Å; E847-E850 PolarHBondContact O-N 2.97Å; E850-H853 PolarHBondContact O-N 3.47Å; E850-A854 WeakPolarHBondContact O-CB 3.29Å; E850-A854 PolarHBondContact O-N 3.17Å |
| 851 | L | 84.9 | Confident | 81.8 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.6 | -72.4 | 173.1 | 0 | 0 | 0 | 112.2 | L834 I838 M839 A842 E847 Q849 H853 A854 L855 I882 | L834-L851 HydrophobicContact CD2-CD2 3.92Å; I838-L851 HydrophobicContact CG2-CD2 4.08Å; M839-L851 HydrophobicContact CG-CD2 4.39Å; A842-L851 HydrophobicContact CB-CD1 3.47Å; A842-L851 VanDerWaalsContact CB-CD1 3.47Å; E847-L851 WeakPolarHBondContact O-CB 3.37Å; E847-L851 VanDerWaalsContact O-CG 3.3Å; E847-L851 WeakPolarHBondContact O-CG 3.43Å; E847-L851 PolarHBondContact O-N 2.98Å; Q849-L851 PolarHBondContact O-N 2.92Å; L851-H853 VanDerWaalsContact C-N 3.32Å; L851-H853 PolarHBondContact O-N 3.25Å; L851-A854 PolarHBondContact O-N 3.21Å; L851-L855 WeakPolarHBondContact O-CB 3.47Å; L851-L855 WeakPolarHBondContact O-CG 3.15Å; L851-L855 PolarHBondContact O-N 3.39Å; L851-I882 HydrophobicContact CB-CD1 3.9Å; L851-I882 HydrophobicContact CD1-CD1 4.27Å |
| 852 | C | 85.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.054 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 173.3 | -82.8 | 0 | 0 | 0 | 0 | 111.7 | L848 Q849 K856 L879 I882 | L848-C852 WeakPolarHBondContact O-CB 3.32Å; L848-C852 PolarHBondContact O-N 2.97Å; L848-C852 PolarHBondContact O-SG 3.45Å; L848-C852 VanDerWaalsContact O-SG 3.39Å; Q849-C852 PolarHBondContact O-N 3.35Å; C852-K856 WeakPolarHBondContact O-CB 3.42Å; C852-K856 VanDerWaalsContact O-CG 3.3Å; C852-K856 WeakPolarHBondContact O-CG 3.33Å; C852-K856 PolarHBondContact O-N 2.95Å; C852-L879 HydrophobicContact CB-CD1 4.08Å; C852-I882 VanDerWaalsContact SG-CG2 3.53Å |
| 853 | H | 84.9 | Confident | 82.3 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.3 | -44.7 | 177.5 | -167.4 | 82.4 | 0 | 0 | 0 | 112 | L811 Q849 E850 L851 L855 K856 L857 | L811-H853 HydrophobicContact CD1-CB 4.34Å; Q849-H853 PolarHBondContact O-N 3.35Å; E850-H853 PolarHBondContact O-N 3.47Å; L851-H853 VanDerWaalsContact C-N 3.32Å; L851-H853 PolarHBondContact O-N 3.25Å; H853-L855 VanDerWaalsContact C-N 3.35Å; H853-L855 PolarHBondContact O-N 3.01Å; H853-K856 PolarHBondContact O-N 3.48Å; H853-L857 WeakPolarHBondContact O-CG 3Å; H853-L857 PolarHBondContact O-N 3.19Å |
| 854 | A | 85.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L811 L830 L834 E850 L851 L857 L858 | L811-A854 HydrophobicContact CD2-CB 3.91Å; L830-A854 HydrophobicContact CD2-CB 4.23Å; L834-A854 HydrophobicContact CD1-CB 4.27Å; L834-A854 HydrophobicContact CD2-CB 4.04Å; L834-A854 HydrophobicContact CG-CB 4.2Å; E850-A854 WeakPolarHBondContact O-CB 3.29Å; E850-A854 PolarHBondContact O-N 3.17Å; L851-A854 PolarHBondContact O-N 3.21Å; A854-L857 PolarHBondContact O-N 3.29Å; A854-L858 PolarHBondContact O-N 3.44Å |
| 855 | L | 86.2 | Confident | 82.3 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.8 | -76.1 | 173.2 | 0 | 0 | 0 | 112.3 | L834 M839 L851 H853 L857 L858 I859 S878 L879 I882 | L834-L855 HydrophobicContact CD1-CD2 3.85Å; L834-L855 HydrophobicContact CD1-CG 4.33Å; L834-L855 HydrophobicContact CD2-CD2 3.85Å; L834-L855 HydrophobicContact CD2-CG 3.74Å; L834-L855 HydrophobicContact CG-CD2 4.46Å; M839-L855 HydrophobicContact CE-CD1 4.43Å; L851-L855 WeakPolarHBondContact O-CB 3.47Å; L851-L855 WeakPolarHBondContact O-CG 3.15Å; L851-L855 PolarHBondContact O-N 3.39Å; H853-L855 VanDerWaalsContact C-N 3.35Å; H853-L855 PolarHBondContact O-N 3.01Å; L855-L857 VanDerWaalsContact C-N 3.33Å; L855-L857 PolarHBondContact O-N 3.46Å; L855-L858 HydrophobicContact CD2-CD2 4.45Å; L855-L858 PolarHBondContact O-N 3.15Å; L855-I859 WeakPolarHBondContact O-CB 3.48Å; L855-I859 WeakPolarHBondContact O-CD1 3.47Å; L855-I859 VanDerWaalsContact O-CG1 3.24Å; L855-I859 WeakPolarHBondContact O-CG1 3.15Å; L855-I859 PolarHBondContact O-N 3.02Å; L855-S878 WeakPolarHBondContact CD1-OG 3.23Å; L855-S878 WeakPolarHBondContact CD2-OG 3.3Å; L855-L879 HydrophobicContact CB-CB 4.35Å; L855-L879 HydrophobicContact CB-CD1 4.04Å; L855-L879 HydrophobicContact CD1-CB 4.04Å; L855-L879 HydrophobicContact CD1-CD1 4.23Å; L855-I882 HydrophobicContact CD1-CD1 3.67Å |
| 856 | K | 86.9 | Confident | 81.7 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 173.8 | -76.6 | 176.4 | 179.1 | -175.6 | 0 | 111.6 | C852 H853 I859 K860 L879 | C852-K856 WeakPolarHBondContact O-CB 3.42Å; C852-K856 VanDerWaalsContact O-CG 3.3Å; C852-K856 WeakPolarHBondContact O-CG 3.33Å; C852-K856 PolarHBondContact O-N 2.95Å; H853-K856 PolarHBondContact O-N 3.48Å; K856-I859 PolarHBondContact O-N 2.88Å; K856-K860 WeakPolarHBondContact O-CB 3.41Å; K856-K860 PolarHBondContact O-N 2.94Å; K856-L879 HydrophobicContact CG-CD2 4.1Å |
| 857 | L | 85.3 | Confident | 81 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 174.7 | -70.1 | 177.3 | 0 | 0 | 0 | 112.4 | L811 A814 D815 I818 L830 H853 A854 L855 K860 L861 | L811-L857 HydrophobicContact CD2-CD1 4.36Å; A814-L857 HydrophobicContact CB-CD1 4.3Å; D815-L857 HydrophobicContact CB-CD2 4.12Å; I818-L857 HydrophobicContact CD1-CB 4.12Å; I818-L857 HydrophobicContact CD1-CD2 4.12Å; L830-L857 HydrophobicContact CD1-CB 4.02Å; L830-L857 HydrophobicContact CD2-CB 4.19Å; L830-L857 HydrophobicContact CD2-CD1 4.35Å; H853-L857 WeakPolarHBondContact O-CG 3Å; H853-L857 PolarHBondContact O-N 3.19Å; A854-L857 PolarHBondContact O-N 3.29Å; L855-L857 VanDerWaalsContact C-N 3.33Å; L855-L857 PolarHBondContact O-N 3.46Å; L857-K860 WeakPolarHBondContact O-CB 3.41Å; L857-K860 PolarHBondContact O-N 3.48Å; L857-L861 PolarHBondContact O-N 2.97Å |
| 858 | L | 86 | Confident | 80.7 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.8 | -174.5 | 72 | 0 | 0 | 0 | 111.6 | L830 L834 A854 L855 K860 L861 Q862 S875 | L830-L858 HydrophobicContact CB-CD1 4.45Å; L830-L858 HydrophobicContact CD1-CB 4.38Å; L834-L858 HydrophobicContact CD1-CB 4.31Å; L834-L858 HydrophobicContact CD1-CD2 3.91Å; A854-L858 PolarHBondContact O-N 3.44Å; L855-L858 HydrophobicContact CD2-CD2 4.45Å; L855-L858 PolarHBondContact O-N 3.15Å; L858-K860 VanDerWaalsContact C-N 3.34Å; L858-L861 WeakPolarHBondContact O-CB 3.32Å; L858-L861 PolarHBondContact O-N 3.43Å; L858-Q862 VanDerWaalsContact O-CG 3.31Å; L858-Q862 WeakPolarHBondContact O-CG 3.21Å; L858-Q862 PolarHBondContact O-N 2.87Å; L858-S875 WeakPolarHBondContact CD2-OG 3.48Å |
| 859 | I | 84.5 | Confident | 80.5 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176 | -67.6 | 157 | 0 | 0 | 0 | 110.5 | L855 K856 L861 Q862 T863 R872 L876 L879 | L855-I859 WeakPolarHBondContact O-CB 3.48Å; L855-I859 WeakPolarHBondContact O-CD1 3.47Å; L855-I859 VanDerWaalsContact O-CG1 3.24Å; L855-I859 WeakPolarHBondContact O-CG1 3.15Å; L855-I859 PolarHBondContact O-N 3.02Å; K856-I859 PolarHBondContact O-N 2.88Å; I859-L861 VanDerWaalsContact C-N 3.33Å; I859-L861 PolarHBondContact O-N 3.19Å; I859-Q862 CarbonylContact O-C 3.51Å; I859-Q862 PolarHBondContact O-N 3.41Å; I859-T863 VanDerWaalsContact O-CG2 3.28Å; I859-T863 WeakPolarHBondContact O-CG2 3.44Å; I859-T863 PolarHBondContact O-N 3.39Å; I859-T863 PolarHBondContact O-OG1 2.93Å; I859-R872 HydrophobicContact CG2-CG 4.36Å; I859-L876 HydrophobicContact CD1-CD2 3.57Å; I859-L876 HydrophobicContact CD1-CG 3.85Å; I859-L876 HydrophobicContact CG1-CD2 4.36Å; I859-L876 HydrophobicContact CG1-CG 4.23Å; I859-L876 HydrophobicContact CG2-CD2 4.35Å; I859-L876 HydrophobicContact CG2-CG 4.47Å; I859-L879 HydrophobicContact CD1-CB 4.36Å; I859-L879 HydrophobicContact CD1-CD2 3.68Å |
| 860 | K | 84.7 | Confident | 80.4 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 172.6 | -173.3 | -177.9 | 173.9 | -168.6 | 0 | 111.8 | D815 K856 L857 L858 T863 I864 | D815-K860 IonicContact OD1-NZ 3.82Å; D815-K860 PolarHBondContact OD1-NZ 3.22Å; D815-K860 VanDerWaalsContact OD1-NZ 3.14Å; K856-K860 WeakPolarHBondContact O-CB 3.41Å; K856-K860 PolarHBondContact O-N 2.94Å; L857-K860 WeakPolarHBondContact O-CB 3.41Å; L857-K860 PolarHBondContact O-N 3.48Å; L858-K860 VanDerWaalsContact C-N 3.34Å; K860-T863 WeakPolarHBondContact CA-OG1 3.49Å; K860-T863 PolarHBondContact O-N 3.14Å; K860-T863 PolarHBondContact O-OG1 3.48Å; K860-I864 WeakPolarHBondContact O-CG1 3.3Å |
| 861 | L | 82.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 171.2 | -83.2 | 169.9 | 0 | 0 | 0 | 112.2 | I818 Y823 A826 L830 L857 L858 I859 T863 I864 E865 | I818-L861 HydrophobicContact CB-CD2 4.42Å; I818-L861 HydrophobicContact CD1-CD1 3.97Å; I818-L861 HydrophobicContact CD1-CD2 4.27Å; I818-L861 HydrophobicContact CD1-CG 3.74Å; I818-L861 HydrophobicContact CG1-CD1 3.97Å; I818-L861 HydrophobicContact CG1-CD2 3.61Å; I818-L861 HydrophobicContact CG1-CG 3.65Å; I818-L861 HydrophobicContact CG2-CD2 4.3Å; Y823-L861 HydrophobicContact CD1-CD2 3.47Å; Y823-L861 VanDerWaalsContact CD1-CD2 3.47Å; Y823-L861 HydrophobicContact CE1-CD2 4.36Å; Y823-L861 HydrophobicContact CG-CD2 4.14Å; A826-L861 HydrophobicContact CB-CD1 3.87Å; A826-L861 HydrophobicContact CB-CD2 4.43Å; L830-L861 HydrophobicContact CD1-CD1 3.56Å; L857-L861 PolarHBondContact O-N 2.97Å; L858-L861 WeakPolarHBondContact O-CB 3.32Å; L858-L861 PolarHBondContact O-N 3.43Å; I859-L861 VanDerWaalsContact C-N 3.33Å; I859-L861 PolarHBondContact O-N 3.19Å; L861-T863 VanDerWaalsContact C-N 3.28Å; L861-T863 PolarHBondContact O-N 3.45Å; L861-I864 WeakPolarHBondContact O-CB 3.36Å; L861-I864 PolarHBondContact O-N 2.9Å; L861-I864 VanDerWaalsContact O-N 3.09Å; L861-E865 PolarHBondContact O-N 2.98Å |
| 862 | Q | 81.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -28.5 | 178.9 | -70.1 | 164.5 | -22.8 | 0 | 0 | 112.3 | L858 I859 I864 E865 E871 R872 S875 | L858-Q862 VanDerWaalsContact O-CG 3.31Å; L858-Q862 WeakPolarHBondContact O-CG 3.21Å; L858-Q862 PolarHBondContact O-N 2.87Å; I859-Q862 CarbonylContact O-C 3.51Å; I859-Q862 PolarHBondContact O-N 3.41Å; Q862-I864 PolarHBondContact O-N 3.32Å; Q862-E865 CarbonylContact O-C 3.58Å; Q862-E865 PolarHBondContact O-N 3.4Å; Q862-E865 VanDerWaalsContact O-O 3.06Å; Q862-E871 PolarHBondContact NE2-O 2.95Å; Q862-R872 HydrophobicContact CB-CB 4.16Å; Q862-R872 HydrophobicContact CB-CG 4.34Å; Q862-S875 PolarHBondContact NE2-OG 3.42Å; Q862-S875 PolarHBondContact OE1-OG 3.28Å |
| 863 | T | 78.1 | Confident | 80.3 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.2 | -21.1 | 172.4 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | I859 K860 L861 | I859-T863 VanDerWaalsContact O-CG2 3.28Å; I859-T863 WeakPolarHBondContact O-CG2 3.44Å; I859-T863 PolarHBondContact O-N 3.39Å; I859-T863 PolarHBondContact O-OG1 2.93Å; K860-T863 WeakPolarHBondContact CA-OG1 3.49Å; K860-T863 PolarHBondContact O-N 3.14Å; K860-T863 PolarHBondContact O-OG1 3.48Å; L861-T863 VanDerWaalsContact C-N 3.28Å; L861-T863 PolarHBondContact O-N 3.45Å |
| 864 | I | 77.5 | Confident | 80.4 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -86.1 | -30.6 | 175 | -60.3 | 165.9 | 0 | 0 | 0 | 110 | I818 Y823 K860 L861 Q862 D866 | I818-I864 HydrophobicContact CG2-CD1 4.34Å; Y823-I864 HydrophobicContact CE1-CD1 3.82Å; Y823-I864 HydrophobicContact CE1-CG2 4.29Å; Y823-I864 HydrophobicContact CE2-CG2 4.16Å; K860-I864 WeakPolarHBondContact O-CG1 3.3Å; L861-I864 WeakPolarHBondContact O-CB 3.36Å; L861-I864 PolarHBondContact O-N 2.9Å; L861-I864 VanDerWaalsContact O-N 3.09Å; Q862-I864 PolarHBondContact O-N 3.32Å; I864-D866 PolarHBondContact O-N 2.99Å |
| 865 | E | 71.9 | Confident | 80.4 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -86.4 | 72.2 | 173.1 | -62.6 | -179.5 | 175.4 | 0 | 0 | 109.7 | K827 L861 Q862 D867 K868 | K827-E865 IonicContact NZ-OE2 3.27Å; K827-E865 PolarHBondContact NZ-OE2 2.96Å; L861-E865 PolarHBondContact O-N 2.98Å; Q862-E865 CarbonylContact O-C 3.58Å; Q862-E865 PolarHBondContact O-N 3.4Å; Q862-E865 VanDerWaalsContact O-O 3.06Å; E865-D867 PolarHBondContact O-N 3.27Å; E865-K868 PolarHBondContact O-N 3.47Å |
| 866 | D | 64.6 | Low | 80.4 | Confident | 129 Ų | 129 | 55 Ų | 55 | 69% | 0.69 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -25.5 | -176 | -79.7 | -30.8 | 0 | 0 | 0 | 114.4 | I864 K868 | I864-D866 PolarHBondContact O-N 2.99Å; D866-K868 VanDerWaalsContact C-N 3.32Å; D866-K868 PolarHBondContact O-N 2.87Å |
| 867 | D | 65.5 | Low | 80.4 | Confident | 164 Ų | 164 | 53.3 Ų | 53.3 | 88% | 0.877 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.9 | -173.9 | -64.7 | -28.9 | 0 | 0 | 0 | 115.3 | E865 | E865-D867 PolarHBondContact O-N 3.27Š|
| 868 | K | 73.1 | Confident | 80.5 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | trans | -123.7 | 52.1 | -167.6 | -68.6 | 179.4 | 162.1 | -140.1 | 0 | 115 | E865 D866 H870 E871 R872 | E865-K868 PolarHBondContact O-N 3.47Å; D866-K868 VanDerWaalsContact C-N 3.32Å; D866-K868 PolarHBondContact O-N 2.87Å; K868-H870 VanDerWaalsContact C-N 3.31Å; K868-H870 PolarHBondContact O-N 3.39Å; K868-E871 HydrophobicContact CB-CB 4.35Å; K868-E871 HydrophobicContact CB-CG 4.45Å; K868-E871 WeakPolarHBondContact CD-OE1 3.44Å; K868-E871 WeakPolarHBondContact CE-OE1 3.39Å; K868-E871 IonicContact NZ-OE1 2.84Å; K868-E871 PolarHBondContact NZ-OE1 3.43Å; K868-E871 IonicContact NZ-OE2 2.85Å; K868-E871 PolarHBondContact O-N 3.27Å; K868-R872 PolarHBondContact O-N 2.87Å | ||
| 869 | L | 78.4 | Confident | 80.6 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -39.7 | 179.6 | -64.7 | 175.8 | 0 | 0 | 0 | 113.7 | R872 I873 V916 D920 | L869-R872 WeakPolarHBondContact O-CB 3.41Å; L869-R872 PolarHBondContact O-N 3.41Å; L869-I873 WeakPolarHBondContact O-CG1 3.18Å; L869-I873 PolarHBondContact O-N 3.21Å; L869-V916 HydrophobicContact CD2-CG1 4.29Å; L869-D920 HydrophobicContact CD1-CB 4.13Å |
| 870 | H | 80.4 | Confident | 80.8 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 179.6 | -65.5 | -46.7 | 0 | 0 | 0 | 113.9 | K868 R872 I873 N874 D920 | K868-H870 VanDerWaalsContact C-N 3.31Å; K868-H870 PolarHBondContact O-N 3.39Å; H870-R872 VanDerWaalsContact C-N 3.26Å; H870-R872 PolarHBondContact O-N 2.97Å; H870-I873 PolarHBondContact O-N 3.35Å; H870-N874 PolarHBondContact O-N 3.25Å; H870-N874 VanDerWaalsContact O-N 3.1Å; H870-D920 IonicContact CE1-OD2 2.78Å; H870-D920 PolarHBondContact CE1-OD2 3.45Å; H870-D920 IonicContact ND1-OD2 3.99Å |
| 871 | E | 81.8 | Confident | 81 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 173.7 | -71.6 | -177.7 | -158.7 | 0 | 0 | 110.2 | K827 Q862 K868 N874 S875 | K827-E871 IonicContact NZ-OE2 3.81Å; K827-E871 PolarHBondContact NZ-OE2 3.19Å; Q862-E871 PolarHBondContact NE2-O 2.95Å; K868-E871 HydrophobicContact CB-CB 4.35Å; K868-E871 HydrophobicContact CB-CG 4.45Å; K868-E871 WeakPolarHBondContact CD-OE1 3.44Å; K868-E871 WeakPolarHBondContact CE-OE1 3.39Å; K868-E871 IonicContact NZ-OE1 2.84Å; K868-E871 PolarHBondContact NZ-OE1 3.43Å; K868-E871 IonicContact NZ-OE2 2.85Å; K868-E871 PolarHBondContact O-N 3.27Å; E871-N874 PolarHBondContact O-N 3.01Å; E871-S875 PolarHBondContact O-N 3.32Å; E871-S875 PolarHBondContact O-OG 3.34Å |
| 872 | R | 83.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.6 | -171.2 | 177.8 | 173.2 | -168.3 | -5.8 | 112.9 | I859 Q862 K868 L869 H870 N874 S875 L876 V916 | I859-R872 HydrophobicContact CG2-CG 4.36Å; Q862-R872 HydrophobicContact CB-CB 4.16Å; Q862-R872 HydrophobicContact CB-CG 4.34Å; K868-R872 PolarHBondContact O-N 2.87Å; L869-R872 WeakPolarHBondContact O-CB 3.41Å; L869-R872 PolarHBondContact O-N 3.41Å; H870-R872 VanDerWaalsContact C-N 3.26Å; H870-R872 PolarHBondContact O-N 2.97Å; R872-N874 VanDerWaalsContact C-N 3.33Å; R872-S875 PolarHBondContact O-N 3.39Å; R872-L876 HydrophobicContact CG-CD1 4.05Å; R872-L876 WeakPolarHBondContact O-CB 3.48Å; R872-L876 WeakPolarHBondContact O-CG 3.33Å; R872-L876 PolarHBondContact O-N 3.04Å; R872-V916 HydrophobicContact CG-CG1 4.45Å; R872-V916 HydrophobicContact CG-CG2 4.39Å |
| 873 | I | 84 | Confident | 81.5 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 174.8 | -70.4 | 165.1 | 0 | 0 | 0 | 110.3 | L869 H870 L876 N877 V916 Y917 | L869-I873 WeakPolarHBondContact O-CG1 3.18Å; L869-I873 PolarHBondContact O-N 3.21Å; H870-I873 PolarHBondContact O-N 3.35Å; I873-L876 PolarHBondContact O-N 2.84Å; I873-N877 WeakPolarHBondContact O-CB 3.25Å; I873-N877 PolarHBondContact O-N 3Å; I873-N877 PolarHBondContact O-ND2 3.38Å; I873-V916 HydrophobicContact CD1-CG1 4.24Å; I873-V916 HydrophobicContact CG1-CG1 3.63Å; I873-Y917 HydrophobicContact CD1-CD1 3.81Å; I873-Y917 HydrophobicContact CD1-CE1 3.75Å; I873-Y917 HydrophobicContact CG1-CD1 4.35Å; I873-Y917 HydrophobicContact CG1-CE1 4.14Å; I873-Y917 HydrophobicContact CG2-CE1 3.68Å; I873-Y917 HydrophobicContact CG2-CE2 4.48Å; I873-Y917 VanDerWaalsContact CG2-OH 3.3Å; I873-Y917 WeakPolarHBondContact CG2-OH 3.42Å |
| 874 | N | 85.7 | Confident | 81.9 | Confident | 108 Ų | 108 | 54 Ų | 54 | 58% | 0.578 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 178.4 | -68.8 | -16.3 | 0 | 0 | 0 | 111.9 | H870 E871 R872 L876 N877 S878 | H870-N874 PolarHBondContact O-N 3.25Å; H870-N874 VanDerWaalsContact O-N 3.1Å; E871-N874 PolarHBondContact O-N 3.01Å; R872-N874 VanDerWaalsContact C-N 3.33Å; N874-L876 PolarHBondContact O-N 3.22Å; N874-N877 PolarHBondContact O-N 3.44Å; N874-S878 PolarHBondContact O-N 3.36Å |
| 875 | S | 85.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.7 | -62 | 0 | 0 | 0 | 0 | 112.4 | L858 Q862 E871 R872 S878 L879 | L858-S875 WeakPolarHBondContact CD2-OG 3.48Å; Q862-S875 PolarHBondContact NE2-OG 3.42Å; Q862-S875 PolarHBondContact OE1-OG 3.28Å; E871-S875 PolarHBondContact O-N 3.32Å; E871-S875 PolarHBondContact O-OG 3.34Å; R872-S875 PolarHBondContact O-N 3.39Å; S875-S878 PolarHBondContact O-N 3.39Å; S875-S878 PolarHBondContact O-OG 3.41Å; S875-L879 PolarHBondContact O-N 3.08Å |
| 876 | L | 87.3 | Confident | 83 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.6 | -78.2 | 165.7 | 0 | 0 | 0 | 113 | I859 R872 I873 N874 S878 L879 K880 I909 Q912 L913 V916 | I859-L876 HydrophobicContact CD1-CD2 3.57Å; I859-L876 HydrophobicContact CD1-CG 3.85Å; I859-L876 HydrophobicContact CG1-CD2 4.36Å; I859-L876 HydrophobicContact CG1-CG 4.23Å; I859-L876 HydrophobicContact CG2-CD2 4.35Å; I859-L876 HydrophobicContact CG2-CG 4.47Å; R872-L876 HydrophobicContact CG-CD1 4.05Å; R872-L876 WeakPolarHBondContact O-CB 3.48Å; R872-L876 WeakPolarHBondContact O-CG 3.33Å; R872-L876 PolarHBondContact O-N 3.04Å; I873-L876 PolarHBondContact O-N 2.84Å; N874-L876 PolarHBondContact O-N 3.22Å; L876-S878 VanDerWaalsContact C-N 3.3Å; L876-S878 PolarHBondContact O-N 3.06Å; L876-L879 PolarHBondContact O-N 3.34Å; L876-K880 PolarHBondContact O-N 3.4Å; L876-I909 HydrophobicContact CD2-CG2 4.42Å; L876-Q912 HydrophobicContact CD2-CB 4.26Å; L876-L913 HydrophobicContact CB-CD1 3.35Å; L876-L913 HydrophobicContact CD1-CD1 4.24Å; L876-L913 HydrophobicContact CG-CD1 4.4Å; L876-V916 HydrophobicContact CD1-CB 4.4Å; L876-V916 HydrophobicContact CD1-CG2 3.88Å |
| 877 | N | 87.4 | Confident | 84 | Confident | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.3 | -40 | 173.3 | -78.8 | -35.7 | 0 | 0 | 0 | 111.3 | I873 N874 K880 S881 | I873-N877 WeakPolarHBondContact O-CB 3.25Å; I873-N877 PolarHBondContact O-N 3Å; I873-N877 PolarHBondContact O-ND2 3.38Å; N874-N877 PolarHBondContact O-N 3.44Å; N877-K880 PolarHBondContact O-N 2.98Å; N877-S881 PolarHBondContact O-N 3.05Å |
| 878 | S | 87.3 | Confident | 84.9 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 174.4 | 77.3 | 0 | 0 | 0 | 0 | 112.2 | L855 N874 S875 L876 K880 S881 I882 | L855-S878 WeakPolarHBondContact CD1-OG 3.23Å; L855-S878 WeakPolarHBondContact CD2-OG 3.3Å; N874-S878 PolarHBondContact O-N 3.36Å; S875-S878 PolarHBondContact O-N 3.39Å; S875-S878 PolarHBondContact O-OG 3.41Å; L876-S878 VanDerWaalsContact C-N 3.3Å; L876-S878 PolarHBondContact O-N 3.06Å; S878-K880 PolarHBondContact O-N 2.95Å; S878-S881 WeakPolarHBondContact O-CB 3.44Å; S878-S881 PolarHBondContact O-N 3.06Å; S878-S881 VanDerWaalsContact O-N 3.1Å; S878-S881 PolarHBondContact O-OG 3.43Å; S878-I882 WeakPolarHBondContact O-CG1 3.18Å; S878-I882 PolarHBondContact O-N 3.48Å |
| 879 | L | 88.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 175.5 | -178.3 | 62.2 | 0 | 0 | 0 | 111.4 | C852 L855 K856 I859 S875 L876 S881 I882 Q883 I909 | C852-L879 HydrophobicContact CB-CD1 4.08Å; L855-L879 HydrophobicContact CB-CB 4.35Å; L855-L879 HydrophobicContact CB-CD1 4.04Å; L855-L879 HydrophobicContact CD1-CB 4.04Å; L855-L879 HydrophobicContact CD1-CD1 4.23Å; K856-L879 HydrophobicContact CG-CD2 4.1Å; I859-L879 HydrophobicContact CD1-CB 4.36Å; I859-L879 HydrophobicContact CD1-CD2 3.68Å; S875-L879 PolarHBondContact O-N 3.08Å; L876-L879 PolarHBondContact O-N 3.34Å; L879-S881 VanDerWaalsContact C-N 3.3Å; L879-S881 PolarHBondContact O-N 2.64Å; L879-I882 PolarHBondContact O-N 3.2Å; L879-Q883 VanDerWaalsContact O-CB 3.25Å; L879-Q883 WeakPolarHBondContact O-CB 3.48Å; L879-Q883 PolarHBondContact O-N 3.31Å; L879-I909 HydrophobicContact CD1-CD1 4.36Å; L879-I909 HydrophobicContact CD2-CD1 3.87Å; L879-I909 HydrophobicContact CD2-CG1 3.78Å; L879-I909 HydrophobicContact CD2-CG2 4.28Å; L879-I909 HydrophobicContact CG-CD1 3.72Å; L879-I909 HydrophobicContact CG-CG1 4.14Å; L879-I909 HydrophobicContact CG-CG2 4.33Å |
| 880 | K | 88.8 | Confident | 85.3 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 172.5 | 178.5 | -177.6 | 174.4 | 173.4 | 0 | 111.3 | L876 N877 S878 T884 L906 I909 L910 | L876-K880 PolarHBondContact O-N 3.4Å; N877-K880 PolarHBondContact O-N 2.98Å; S878-K880 PolarHBondContact O-N 2.95Å; K880-T884 WeakPolarHBondContact O-CB 3.49Å; K880-T884 VanDerWaalsContact O-CG2 3.28Å; K880-T884 WeakPolarHBondContact O-CG2 3.38Å; K880-T884 PolarHBondContact O-N 3.04Å; K880-T884 PolarHBondContact O-OG1 3.3Å; K880-L906 HydrophobicContact CG-CD1 4.44Å; K880-I909 HydrophobicContact CB-CG2 4.31Å; K880-L910 HydrophobicContact CD-CD2 3.77Å; K880-L910 HydrophobicContact CG-CD2 4.34Å |
| 881 | S | 87.8 | Confident | 85 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.3 | -38 | 179.8 | 81.1 | 0 | 0 | 0 | 0 | 113.4 | N877 S878 L879 T884 R885 | N877-S881 PolarHBondContact O-N 3.05Å; S878-S881 WeakPolarHBondContact O-CB 3.44Å; S878-S881 PolarHBondContact O-N 3.06Å; S878-S881 VanDerWaalsContact O-N 3.1Å; S878-S881 PolarHBondContact O-OG 3.43Å; L879-S881 VanDerWaalsContact C-N 3.3Å; L879-S881 PolarHBondContact O-N 2.64Å; S881-T884 WeakPolarHBondContact CA-OG1 3.36Å; S881-T884 PolarHBondContact O-OG1 3.12Å; S881-R885 WeakPolarHBondContact O-CG 3.49Å; S881-R885 PolarHBondContact O-N 2.82Å |
| 882 | I | 87.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.5 | -45.2 | 178.7 | -62.1 | -176.9 | 0 | 0 | 0 | 110 | M839 L848 L851 C852 L855 S878 L879 T884 R885 L886 | M839-I882 HydrophobicContact CE-CD1 4.12Å; L848-I882 HydrophobicContact CB-CG2 4.32Å; L848-I882 HydrophobicContact CD2-CG2 3.84Å; L851-I882 HydrophobicContact CB-CD1 3.9Å; L851-I882 HydrophobicContact CD1-CD1 4.27Å; C852-I882 VanDerWaalsContact SG-CG2 3.53Å; L855-I882 HydrophobicContact CD1-CD1 3.67Å; S878-I882 WeakPolarHBondContact O-CG1 3.18Å; S878-I882 PolarHBondContact O-N 3.48Å; L879-I882 PolarHBondContact O-N 3.2Å; I882-T884 VanDerWaalsContact C-N 3.31Å; I882-T884 PolarHBondContact O-N 3.4Å; I882-R885 WeakPolarHBondContact O-CB 3.17Å; I882-R885 PolarHBondContact O-N 3.36Å; I882-R885 VanDerWaalsContact O-N 3.11Å; I882-L886 PolarHBondContact O-N 2.92Å |
| 883 | Q | 86.5 | Confident | 83.1 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 178.9 | -172.6 | 65.9 | 18.4 | 0 | 0 | 112.2 | L879 L886 L887 Q902 L906 I909 | L879-Q883 VanDerWaalsContact O-CB 3.25Å; L879-Q883 WeakPolarHBondContact O-CB 3.48Å; L879-Q883 PolarHBondContact O-N 3.31Å; Q883-L886 PolarHBondContact O-N 3.43Å; Q883-L887 WeakPolarHBondContact O-CB 3.32Å; Q883-L887 PolarHBondContact O-N 3.28Å; Q883-Q902 PolarHBondContact NE2-O 2.98Å; Q883-L906 HydrophobicContact CB-CD1 4.19Å; Q883-L906 HydrophobicContact CG-CB 3.99Å; Q883-L906 HydrophobicContact CG-CD1 3.98Å; Q883-I909 HydrophobicContact CB-CD1 3.95Å; Q883-I909 HydrophobicContact CG-CD1 3.84Å |
| 884 | T | 87 | Confident | 82.1 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 29% | 0.288 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -34.6 | 174.9 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | K880 S881 I882 K888 L906 | K880-T884 WeakPolarHBondContact O-CB 3.49Å; K880-T884 VanDerWaalsContact O-CG2 3.28Å; K880-T884 WeakPolarHBondContact O-CG2 3.38Å; K880-T884 PolarHBondContact O-N 3.04Å; K880-T884 PolarHBondContact O-OG1 3.3Å; S881-T884 WeakPolarHBondContact CA-OG1 3.36Å; S881-T884 PolarHBondContact O-OG1 3.12Å; I882-T884 VanDerWaalsContact C-N 3.31Å; I882-T884 PolarHBondContact O-N 3.4Å; T884-K888 WeakPolarHBondContact O-CG 3.5Å; T884-K888 PolarHBondContact O-N 2.67Å; T884-L906 HydrophobicContact CG2-CD1 3.75Å; T884-L906 HydrophobicContact CG2-CD2 3.88Å |
| 885 | R | 86.3 | Confident | 81.3 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 170.9 | -76.8 | -171.9 | -72.3 | 166.6 | -6.9 | 112.1 | M839 S881 I882 K888 R889 | M839-R885 PolarHBondContact O-NH1 3.38Å; M839-R885 PolarHBondContact O-NH2 3.31Å; S881-R885 WeakPolarHBondContact O-CG 3.49Å; S881-R885 PolarHBondContact O-N 2.82Å; I882-R885 WeakPolarHBondContact O-CB 3.17Å; I882-R885 PolarHBondContact O-N 3.36Å; I882-R885 VanDerWaalsContact O-N 3.11Å; R885-K888 PolarHBondContact O-N 3.13Å; R885-R889 PolarHBondContact O-N 3.28Å |
| 886 | L | 85.9 | Confident | 80.8 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.8 | -178.8 | 143.2 | 0 | 0 | 0 | 111.2 | L848 Q849 I882 Q883 K888 R889 M890 Q902 | L848-L886 HydrophobicContact CB-CB 4.47Å; L848-L886 HydrophobicContact CB-CD1 3.97Å; L848-L886 HydrophobicContact CD1-CB 4.42Å; Q849-L886 HydrophobicContact CG-CD1 3.81Å; I882-L886 PolarHBondContact O-N 2.92Å; Q883-L886 PolarHBondContact O-N 3.43Å; L886-K888 VanDerWaalsContact C-N 3.35Å; L886-K888 PolarHBondContact O-N 2.86Å; L886-R889 PolarHBondContact O-N 2.92Å; L886-M890 HydrophobicContact CD2-SD 3.42Å; L886-M890 WeakPolarHBondContact CD2-SD 3.24Å; L886-M890 HydrophobicContact CG-SD 3.97Å; L886-M890 WeakPolarHBondContact O-CG 3.29Å; L886-M890 PolarHBondContact O-N 2.88Å; L886-M890 VanDerWaalsContact O-N 3.1Å; L886-Q902 HydrophobicContact CD2-CB 4.29Å; L886-Q902 HydrophobicContact CD2-CG 3.7Å |
| 887 | L | 84.6 | Confident | 80.2 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.8 | -174.1 | 70.2 | 0 | 0 | 0 | 112.4 | Q883 R889 M890 Q891 V899 Q902 K903 L906 | Q883-L887 WeakPolarHBondContact O-CB 3.32Å; Q883-L887 PolarHBondContact O-N 3.28Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 2.95Å; L887-M890 PolarHBondContact O-N 3.07Å; L887-Q891 WeakPolarHBondContact O-CG 3.41Å; L887-Q891 PolarHBondContact O-N 3.34Å; L887-V899 HydrophobicContact CD1-CG1 4.13Å; L887-Q902 HydrophobicContact CD1-CB 3.68Å; L887-K903 HydrophobicContact CD1-CG 4Å; L887-K903 HydrophobicContact CD2-CG 4.16Å; L887-L906 HydrophobicContact CD2-CD2 4.14Å |
| 888 | K | 84.4 | Confident | 79.8 | Confident | 153 Ų | 153 | 65.3 Ų | 65.3 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -34.1 | 178.1 | -76.1 | 177.7 | 179.3 | -177.2 | 0 | 113.1 | T884 R885 L886 | T884-K888 WeakPolarHBondContact O-CG 3.5Å; T884-K888 PolarHBondContact O-N 2.67Å; R885-K888 PolarHBondContact O-N 3.13Å; L886-K888 VanDerWaalsContact C-N 3.35Å; L886-K888 PolarHBondContact O-N 2.86Å |
| 889 | R | 81.3 | Confident | 79.5 | Confident | 114 Ų | 114 | 65 Ų | 65 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -77.9 | -33.7 | 178.5 | -69.2 | -176.4 | -174.9 | -123.3 | -0.9 | 112.8 | S843 R885 L886 L887 T892 | S843-R889 VanDerWaalsContact C-NH1 3.29Å; S843-R889 VanDerWaalsContact CB-NH2 3.33Å; S843-R889 WeakPolarHBondContact O-CD 3.29Å; S843-R889 PolarHBondContact O-NE 3.37Å; S843-R889 PolarHBondContact O-NH1 2.84Å; R885-R889 PolarHBondContact O-N 3.28Å; L886-R889 PolarHBondContact O-N 2.92Å; L887-R889 VanDerWaalsContact C-N 3.31Å; L887-R889 PolarHBondContact O-N 2.95Å; R889-T892 PolarHBondContact O-OG1 3.49Å; R889-T892 VanDerWaalsContact O-OG1 3.07Å |
| 890 | M | 78.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.6 | -27.9 | -178.5 | -66 | 179.6 | 82.3 | 0 | 0 | 113 | L886 L887 T892 N893 E894 V898 Q902 | L886-M890 HydrophobicContact CD2-SD 3.42Å; L886-M890 WeakPolarHBondContact CD2-SD 3.24Å; L886-M890 HydrophobicContact CG-SD 3.97Å; L886-M890 WeakPolarHBondContact O-CG 3.29Å; L886-M890 PolarHBondContact O-N 2.88Å; L886-M890 VanDerWaalsContact O-N 3.1Å; L887-M890 PolarHBondContact O-N 3.07Å; M890-T892 PolarHBondContact O-N 3.45Å; M890-N893 PolarHBondContact O-N 2.88Å; M890-E894 VanDerWaalsContact CE-CD 3.48Å; M890-E894 WeakPolarHBondContact CE-OE2 3.35Å; M890-E894 PolarHBondContact O-N 3.16Å; M890-V898 HydrophobicContact CE-CB 4.45Å; M890-V898 HydrophobicContact CE-CG1 3.32Å; M890-Q902 HydrophobicContact CE-CG 4.29Å; M890-Q902 HydrophobicContact SD-CG 3.69Å |
| 891 | Q | 74.4 | Confident | 79 | Confident | 111 Ų | 111 | 67.7 Ų | 67.7 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.1 | 177.9 | -81.9 | 175.9 | -6 | 0 | 0 | 114.5 | L887 V899 | L887-Q891 WeakPolarHBondContact O-CG 3.41Å; L887-Q891 PolarHBondContact O-N 3.34Å; Q891-V899 HydrophobicContact CG-CG1 3.85Å |
| 892 | T | 68.2 | Low | 78.8 | Confident | 104 Ų | 104 | 66.3 Ų | 66.3 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -23.4 | -177.3 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | R889 M890 | R889-T892 PolarHBondContact O-OG1 3.49Å; R889-T892 VanDerWaalsContact O-OG1 3.07Å; M890-T892 PolarHBondContact O-N 3.45Å |
| 893 | N | 58.7 | Low | 78.7 | Confident | 144 Ų | 144 | 67.9 Ų | 67.9 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | -9.1 | -161.5 | -72.9 | -14.7 | 0 | 0 | 0 | 116.2 | M890 | M890-N893 PolarHBondContact O-N 2.88Š|
| 894 | E | 61.6 | Low | 78.8 | Confident | 82 Ų | 82 | 68.2 Ų | 68.2 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -121.5 | 166 | -166.3 | -68.2 | -169.7 | -161.6 | 0 | 0 | 115.2 | M890 V898 | M890-E894 VanDerWaalsContact CE-CD 3.48Å; M890-E894 WeakPolarHBondContact CE-OE2 3.35Å; M890-E894 PolarHBondContact O-N 3.16Å; E894-V898 WeakPolarHBondContact OE2-CG1 3.48Å |
| 895 | V | 70.4 | Confident | 78.8 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | trans | -59.5 | 136.1 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 110 | D897 V898 V899 | V895-D897 HydrophobicContact CG1-CB 4.35Å; V895-D897 PolarHBondContact O-N 2.88Å; V895-V898 HydrophobicContact CB-CG2 4.5Å; V895-V898 PolarHBondContact O-N 3Å; V895-V899 PolarHBondContact O-N 3.42Å | ||
| 896 | E | 74.3 | Confident | 78.9 | Confident | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51.1 | -34.4 | -177.4 | -167.3 | 179 | 171.4 | 0 | 0 | 113.4 | V898 V899 N900 | E896-V898 PolarHBondContact O-N 3.26Å; E896-V899 PolarHBondContact O-N 3.29Å; E896-N900 WeakPolarHBondContact O-CB 3.44Å; E896-N900 PolarHBondContact O-N 2.95Å; E896-N900 PolarHBondContact O-ND2 2.98Å |
| 897 | D | 74.6 | Confident | 79.1 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 177.3 | -73.4 | -25.7 | 0 | 0 | 0 | 113.2 | V895 N900 E901 I1006 | V895-D897 HydrophobicContact CG1-CB 4.35Å; V895-D897 PolarHBondContact O-N 2.88Å; D897-N900 PolarHBondContact O-N 3.09Å; D897-E901 PolarHBondContact O-N 3.26Å; D897-I1006 HydrophobicContact CB-CD1 3.67Å |
| 898 | V | 78.7 | Confident | 79.3 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | 179.4 | -172 | 0 | 0 | 0 | 0 | 110.1 | M890 E894 V895 E896 N900 E901 Q902 | M890-V898 HydrophobicContact CE-CB 4.45Å; M890-V898 HydrophobicContact CE-CG1 3.32Å; E894-V898 WeakPolarHBondContact OE2-CG1 3.48Å; V895-V898 HydrophobicContact CB-CG2 4.5Å; V895-V898 PolarHBondContact O-N 3Å; E896-V898 PolarHBondContact O-N 3.26Å; V898-N900 VanDerWaalsContact C-N 3.29Å; V898-N900 PolarHBondContact O-N 3.41Å; V898-E901 PolarHBondContact O-N 3.39Å; V898-Q902 WeakPolarHBondContact O-CG 3.41Å; V898-Q902 PolarHBondContact O-N 3.39Å |
| 899 | V | 81.9 | Confident | 79.5 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | L887 Q891 V895 E896 Q902 K903 | L887-V899 HydrophobicContact CD1-CG1 4.13Å; Q891-V899 HydrophobicContact CG-CG1 3.85Å; V895-V899 PolarHBondContact O-N 3.42Å; E896-V899 PolarHBondContact O-N 3.29Å; V899-Q902 PolarHBondContact O-N 2.98Å; V899-K903 WeakPolarHBondContact O-CG 3.43Å; V899-K903 PolarHBondContact O-N 3.23Å; V899-K903 VanDerWaalsContact O-N 3.07Å |
| 900 | N | 82.9 | Confident | 79.9 | Confident | 16 Ų | 16 | 55 Ų | 55 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 176.5 | -70.5 | -28.3 | 0 | 0 | 0 | 112.4 | E896 D897 V898 Q902 K903 I904 I975 I1006 | E896-N900 WeakPolarHBondContact O-CB 3.44Å; E896-N900 PolarHBondContact O-N 2.95Å; E896-N900 PolarHBondContact O-ND2 2.98Å; D897-N900 PolarHBondContact O-N 3.09Å; V898-N900 VanDerWaalsContact C-N 3.29Å; V898-N900 PolarHBondContact O-N 3.41Å; N900-Q902 PolarHBondContact O-N 2.91Å; N900-K903 WeakPolarHBondContact O-CB 3.43Å; N900-K903 PolarHBondContact O-N 3.41Å; N900-I904 WeakPolarHBondContact O-CD1 3.49Å; N900-I904 WeakPolarHBondContact O-CG1 3.48Å; N900-I904 PolarHBondContact O-N 3.08Å; N900-I975 HydrophobicContact CB-CD1 4.2Å; N900-I975 HydrophobicContact CB-CG1 4.47Å; N900-I1006 HydrophobicContact CB-CG2 3.52Å |
| 901 | E | 83.6 | Confident | 80.3 | Confident | 107 Ų | 107 | 55.4 Ų | 55.4 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 172.8 | -168.4 | 177.5 | -176.8 | 0 | 0 | 112.1 | D897 V898 K903 I904 N905 | D897-E901 PolarHBondContact O-N 3.26Å; V898-E901 PolarHBondContact O-N 3.39Å; E901-K903 PolarHBondContact O-N 2.89Å; E901-I904 WeakPolarHBondContact O-CB 3.45Å; E901-I904 PolarHBondContact O-N 3.36Å; E901-N905 PolarHBondContact O-N 2.97Å; E901-N905 PolarHBondContact O-ND2 3.4Å |
| 902 | Q | 84.2 | Confident | 80.9 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -31.1 | 175.7 | -61.7 | -52.6 | -25.2 | 0 | 0 | 113.4 | Q883 L886 L887 M890 V898 V899 N900 N905 L906 | Q883-Q902 PolarHBondContact NE2-O 2.98Å; L886-Q902 HydrophobicContact CD2-CB 4.29Å; L886-Q902 HydrophobicContact CD2-CG 3.7Å; L887-Q902 HydrophobicContact CD1-CB 3.68Å; M890-Q902 HydrophobicContact CE-CG 4.29Å; M890-Q902 HydrophobicContact SD-CG 3.69Å; V898-Q902 WeakPolarHBondContact O-CG 3.41Å; V898-Q902 PolarHBondContact O-N 3.39Å; V899-Q902 PolarHBondContact O-N 2.98Å; N900-Q902 PolarHBondContact O-N 2.91Å; Q902-N905 PolarHBondContact OE1-ND2 3.35Å; Q902-L906 WeakPolarHBondContact O-CB 3.11Å; Q902-L906 PolarHBondContact O-N 3.44Å |
| 903 | K | 85.6 | Confident | 81.8 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 170.3 | -73.2 | 177.6 | -176.8 | 174.8 | 0 | 111.7 | L887 V899 N900 E901 L906 S907 T974 I975 | L887-K903 HydrophobicContact CD1-CG 4Å; L887-K903 HydrophobicContact CD2-CG 4.16Å; V899-K903 WeakPolarHBondContact O-CG 3.43Å; V899-K903 PolarHBondContact O-N 3.23Å; V899-K903 VanDerWaalsContact O-N 3.07Å; N900-K903 WeakPolarHBondContact O-CB 3.43Å; N900-K903 PolarHBondContact O-N 3.41Å; E901-K903 PolarHBondContact O-N 2.89Å; K903-L906 PolarHBondContact O-N 3.16Å; K903-S907 PolarHBondContact O-N 3.06Å; K903-S907 PolarHBondContact O-OG 2.95Å; K903-T974 PolarHBondContact NZ-OG1 3.42Å; K903-I975 HydrophobicContact CB-CD1 4.04Å; K903-I975 HydrophobicContact CD-CD1 4.22Å; K903-I975 HydrophobicContact CD-CG1 4.21Å |
| 904 | I | 87.5 | Confident | 83.1 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 174.5 | -70.9 | 161.8 | 0 | 0 | 0 | 110.2 | N900 E901 L906 S907 E908 I975 I1006 S1009 I1013 | N900-I904 WeakPolarHBondContact O-CD1 3.49Å; N900-I904 WeakPolarHBondContact O-CG1 3.48Å; N900-I904 PolarHBondContact O-N 3.08Å; E901-I904 WeakPolarHBondContact O-CB 3.45Å; E901-I904 PolarHBondContact O-N 3.36Å; I904-L906 VanDerWaalsContact C-N 3.3Å; I904-L906 PolarHBondContact O-N 2.68Å; I904-S907 WeakPolarHBondContact CA-OG 3.38Å; I904-S907 PolarHBondContact O-N 2.85Å; I904-S907 PolarHBondContact O-OG 2.92Å; I904-E908 WeakPolarHBondContact O-CG 3.17Å; I904-E908 PolarHBondContact O-N 3.48Å; I904-I975 HydrophobicContact CD1-CD1 4.43Å; I904-I975 HydrophobicContact CG1-CD1 4.03Å; I904-I1006 HydrophobicContact CD1-CB 4.41Å; I904-I1006 HydrophobicContact CD1-CG2 3.73Å; I904-S1009 VanDerWaalsContact CD1-OG 3.24Å; I904-S1009 WeakPolarHBondContact CD1-OG 3.45Å; I904-I1013 HydrophobicContact CB-CD1 4.2Å; I904-I1013 HydrophobicContact CG2-CD1 3.51Å |
| 905 | N | 86.5 | Confident | 84.3 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -42.1 | 175.2 | -75.2 | -33.7 | 0 | 0 | 0 | 112.1 | E901 Q902 I909 | E901-N905 PolarHBondContact O-N 2.97Å; E901-N905 PolarHBondContact O-ND2 3.4Å; Q902-N905 PolarHBondContact OE1-ND2 3.35Å; N905-I909 WeakPolarHBondContact O-CD1 3.08Å; N905-I909 VanDerWaalsContact O-CG1 3.27Å; N905-I909 WeakPolarHBondContact O-CG1 3.48Å; N905-I909 PolarHBondContact O-N 2.9Å; N905-I909 VanDerWaalsContact O-N 3.14Å |
| 906 | L | 90 | Very high | 84.9 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.3 | -179.2 | 62.6 | 0 | 0 | 0 | 111.9 | K880 Q883 T884 L887 Q902 K903 I904 I909 L910 | K880-L906 HydrophobicContact CG-CD1 4.44Å; Q883-L906 HydrophobicContact CB-CD1 4.19Å; Q883-L906 HydrophobicContact CG-CB 3.99Å; Q883-L906 HydrophobicContact CG-CD1 3.98Å; T884-L906 HydrophobicContact CG2-CD1 3.75Å; T884-L906 HydrophobicContact CG2-CD2 3.88Å; L887-L906 HydrophobicContact CD2-CD2 4.14Å; Q902-L906 WeakPolarHBondContact O-CB 3.11Å; Q902-L906 PolarHBondContact O-N 3.44Å; K903-L906 PolarHBondContact O-N 3.16Å; I904-L906 VanDerWaalsContact C-N 3.3Å; I904-L906 PolarHBondContact O-N 2.68Å; L906-I909 WeakPolarHBondContact O-CB 3.43Å; L906-I909 PolarHBondContact O-N 3.46Å; L906-L910 WeakPolarHBondContact O-CG 3.49Å; L906-L910 PolarHBondContact O-N 3.28Å |
| 907 | S | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.2 | -33.6 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | K903 I904 L910 L911 V972 I1013 | K903-S907 PolarHBondContact O-N 3.06Å; K903-S907 PolarHBondContact O-OG 2.95Å; I904-S907 WeakPolarHBondContact CA-OG 3.38Å; I904-S907 PolarHBondContact O-N 2.85Å; I904-S907 PolarHBondContact O-OG 2.92Å; S907-L910 PolarHBondContact O-N 2.89Å; S907-L911 WeakPolarHBondContact O-CG 3.34Å; S907-L911 PolarHBondContact O-N 3.21Å; S907-V972 WeakPolarHBondContact OG-CG2 3.39Å; S907-I1013 WeakPolarHBondContact OG-CD1 3.3Å |
| 908 | E | 88.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 27.1 Ų | 27.1 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 169.4 | -71.6 | -170.7 | 164.6 | 0 | 0 | 112.6 | I904 L910 L911 Q912 I1013 | I904-E908 WeakPolarHBondContact O-CG 3.17Å; I904-E908 PolarHBondContact O-N 3.48Å; E908-L910 VanDerWaalsContact C-N 3.34Å; E908-L910 PolarHBondContact O-N 3.34Å; E908-L911 PolarHBondContact O-N 3.47Å; E908-Q912 WeakPolarHBondContact O-CG 3.34Å; E908-Q912 PolarHBondContact O-N 2.9Å; E908-I1013 HydrophobicContact CG-CD1 3.63Å; E908-I1013 HydrophobicContact CG-CG1 4.18Å |
| 909 | I | 88.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 176 | -67 | 157.9 | 0 | 0 | 0 | 110.6 | L876 L879 K880 Q883 N905 L906 L911 Q912 L913 | L876-I909 HydrophobicContact CD2-CG2 4.42Å; L879-I909 HydrophobicContact CD1-CD1 4.36Å; L879-I909 HydrophobicContact CD2-CD1 3.87Å; L879-I909 HydrophobicContact CD2-CG1 3.78Å; L879-I909 HydrophobicContact CD2-CG2 4.28Å; L879-I909 HydrophobicContact CG-CD1 3.72Å; L879-I909 HydrophobicContact CG-CG1 4.14Å; L879-I909 HydrophobicContact CG-CG2 4.33Å; K880-I909 HydrophobicContact CB-CG2 4.31Å; Q883-I909 HydrophobicContact CB-CD1 3.95Å; Q883-I909 HydrophobicContact CG-CD1 3.84Å; N905-I909 WeakPolarHBondContact O-CD1 3.08Å; N905-I909 VanDerWaalsContact O-CG1 3.27Å; N905-I909 WeakPolarHBondContact O-CG1 3.48Å; N905-I909 PolarHBondContact O-N 2.9Å; N905-I909 VanDerWaalsContact O-N 3.14Å; L906-I909 WeakPolarHBondContact O-CB 3.43Å; L906-I909 PolarHBondContact O-N 3.46Å; I909-L911 PolarHBondContact O-N 2.91Å; I909-Q912 PolarHBondContact O-N 3.15Å; I909-L913 WeakPolarHBondContact O-CB 3.46Å; I909-L913 PolarHBondContact O-N 3.29Å |
| 910 | L | 89.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.6 | -67 | 173.8 | 0 | 0 | 0 | 111.8 | K880 L906 S907 E908 L913 A914 L964 D967 A968 | K880-L910 HydrophobicContact CD-CD2 3.77Å; K880-L910 HydrophobicContact CG-CD2 4.34Å; L906-L910 WeakPolarHBondContact O-CG 3.49Å; L906-L910 PolarHBondContact O-N 3.28Å; S907-L910 PolarHBondContact O-N 2.89Å; E908-L910 VanDerWaalsContact C-N 3.34Å; E908-L910 PolarHBondContact O-N 3.34Å; L910-L913 PolarHBondContact O-N 3.13Å; L910-A914 WeakPolarHBondContact O-CB 3.41Å; L910-A914 PolarHBondContact O-N 3Å; L910-L964 HydrophobicContact CD2-CD2 3.65Å; L910-D967 HydrophobicContact CD1-CB 4.15Å; L910-A968 HydrophobicContact CB-CB 4.08Å; L910-A968 HydrophobicContact CD1-CB 4.21Å |
| 911 | L | 88.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.063 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | 176.5 | -69.5 | -178.1 | 0 | 0 | 0 | 113.5 | S907 E908 I909 S915 A968 I1013 K1016 Q1020 | S907-L911 WeakPolarHBondContact O-CG 3.34Å; S907-L911 PolarHBondContact O-N 3.21Å; E908-L911 PolarHBondContact O-N 3.47Å; I909-L911 PolarHBondContact O-N 2.91Å; L911-S915 WeakPolarHBondContact O-CB 3.36Å; L911-S915 PolarHBondContact O-N 2.88Å; L911-A968 HydrophobicContact CD2-CB 4.23Å; L911-A968 HydrophobicContact CG-CB 4.28Å; L911-I1013 HydrophobicContact CD1-CG2 3.71Å; L911-K1016 HydrophobicContact CD1-CB 4.03Å; L911-Q1020 PolarHBondContact O-NE2 2.91Å |
| 912 | Q | 86.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 26.1 Ų | 26.1 | 38% | 0.383 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 171.9 | -73.4 | -174.7 | 9.2 | 0 | 0 | 110.7 | L876 E908 I909 A914 S915 V916 | L876-Q912 HydrophobicContact CD2-CB 4.26Å; E908-Q912 WeakPolarHBondContact O-CG 3.34Å; E908-Q912 PolarHBondContact O-N 2.9Å; I909-Q912 PolarHBondContact O-N 3.15Å; Q912-A914 PolarHBondContact O-N 3.17Å; Q912-S915 PolarHBondContact O-N 2.92Å; Q912-S915 PolarHBondContact O-OG 3.03Å; Q912-V916 WeakPolarHBondContact O-CG2 3.38Å; Q912-V916 PolarHBondContact O-N 3.2Å |
| 913 | L | 87.8 | Confident | 84 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 176 | -166.6 | 85.9 | 0 | 0 | 0 | 111.1 | L876 I909 L910 S915 V916 Y917 L964 | L876-L913 HydrophobicContact CB-CD1 3.35Å; L876-L913 HydrophobicContact CD1-CD1 4.24Å; L876-L913 HydrophobicContact CG-CD1 4.4Å; I909-L913 WeakPolarHBondContact O-CB 3.46Å; I909-L913 PolarHBondContact O-N 3.29Å; L910-L913 PolarHBondContact O-N 3.13Å; L913-S915 PolarHBondContact O-N 3.32Å; L913-V916 PolarHBondContact O-N 2.73Å; L913-Y917 HydrophobicContact CD1-CE2 4.1Å; L913-Y917 HydrophobicContact CD2-CD2 4.42Å; L913-Y917 HydrophobicContact CD2-CE2 3.76Å; L913-Y917 HydrophobicContact CG-CD2 3.93Å; L913-Y917 HydrophobicContact CG-CE2 3.56Å; L913-Y917 WeakPolarHBondContact O-CD2 3.38Å; L913-Y917 PolarHBondContact O-N 3.34Å; L913-L964 HydrophobicContact CB-CD1 4.31Å; L913-L964 HydrophobicContact CD2-CD1 3.52Å; L913-L964 HydrophobicContact CD2-CD2 3.56Å; L913-L964 HydrophobicContact CD2-CG 4.17Å; L913-L964 HydrophobicContact CG-CD1 4.01Å |
| 914 | A | 85.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L910 Q912 V916 Y917 F918 I961 L964 | L910-A914 WeakPolarHBondContact O-CB 3.41Å; L910-A914 PolarHBondContact O-N 3Å; Q912-A914 PolarHBondContact O-N 3.17Å; A914-V916 PolarHBondContact O-N 3.07Å; A914-Y917 PolarHBondContact O-N 3.1Å; A914-F918 WeakPolarHBondContact O-CB 3.41Å; A914-F918 PolarHBondContact O-N 3.45Å; A914-I961 HydrophobicContact CB-CG2 4.21Å; A914-L964 HydrophobicContact CB-CB 4.19Å; A914-L964 HydrophobicContact CB-CD1 4.41Å |
| 915 | S | 85.5 | Confident | 81.9 | Confident | 34 Ų | 34 | 35.1 Ų | 35.1 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 177.4 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | L911 Q912 L913 F918 L919 | L911-S915 WeakPolarHBondContact O-CB 3.36Å; L911-S915 PolarHBondContact O-N 2.88Å; Q912-S915 PolarHBondContact O-N 2.92Å; Q912-S915 PolarHBondContact O-OG 3.03Å; L913-S915 PolarHBondContact O-N 3.32Å; S915-F918 PolarHBondContact O-N 3.26Å; S915-L919 WeakPolarHBondContact O-CG 3.4Å; S915-L919 PolarHBondContact O-N 3.35Å |
| 916 | V | 84.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.8 | -41.5 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L869 R872 I873 L876 Q912 L913 A914 F918 L919 D920 | L869-V916 HydrophobicContact CD2-CG1 4.29Å; R872-V916 HydrophobicContact CG-CG1 4.45Å; R872-V916 HydrophobicContact CG-CG2 4.39Å; I873-V916 HydrophobicContact CD1-CG1 4.24Å; I873-V916 HydrophobicContact CG1-CG1 3.63Å; L876-V916 HydrophobicContact CD1-CB 4.4Å; L876-V916 HydrophobicContact CD1-CG2 3.88Å; Q912-V916 WeakPolarHBondContact O-CG2 3.38Å; Q912-V916 PolarHBondContact O-N 3.2Å; L913-V916 PolarHBondContact O-N 2.73Å; A914-V916 PolarHBondContact O-N 3.07Å; V916-F918 VanDerWaalsContact C-N 3.3Å; V916-F918 PolarHBondContact O-N 3.4Å; V916-L919 PolarHBondContact O-N 2.79Å; V916-D920 WeakPolarHBondContact O-CB 3.48Å; V916-D920 PolarHBondContact O-N 3.03Å |
| 917 | Y | 83.7 | Confident | 79 | Confident | 22 Ų | 22 | 37.4 Ų | 37.4 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 171.5 | -78 | -58.6 | 0 | 0 | 0 | 111.7 | I873 L913 A914 D920 I921 Y957 I960 L964 | I873-Y917 HydrophobicContact CD1-CD1 3.81Å; I873-Y917 HydrophobicContact CD1-CE1 3.75Å; I873-Y917 HydrophobicContact CG1-CD1 4.35Å; I873-Y917 HydrophobicContact CG1-CE1 4.14Å; I873-Y917 HydrophobicContact CG2-CE1 3.68Å; I873-Y917 HydrophobicContact CG2-CE2 4.48Å; I873-Y917 VanDerWaalsContact CG2-OH 3.3Å; I873-Y917 WeakPolarHBondContact CG2-OH 3.42Å; L913-Y917 HydrophobicContact CD1-CE2 4.1Å; L913-Y917 HydrophobicContact CD2-CD2 4.42Å; L913-Y917 HydrophobicContact CD2-CE2 3.76Å; L913-Y917 HydrophobicContact CG-CD2 3.93Å; L913-Y917 HydrophobicContact CG-CE2 3.56Å; L913-Y917 WeakPolarHBondContact O-CD2 3.38Å; L913-Y917 PolarHBondContact O-N 3.34Å; A914-Y917 PolarHBondContact O-N 3.1Å; Y917-D920 PolarHBondContact O-N 2.98Å; Y917-I921 WeakPolarHBondContact O-CG1 3.4Å; Y917-I921 PolarHBondContact O-N 3.44Å; Y917-Y957 AromaticContact CD1-CD1 3.61Å; Y917-Y957 HydrophobicContact CD1-CD1 3.61Å; Y917-Y957 AromaticContact CD1-CE1 3.69Å; Y917-Y957 HydrophobicContact CD1-CE1 3.69Å; Y917-Y957 AromaticContact CE1-CD1 3.95Å; Y917-Y957 HydrophobicContact CE1-CD1 3.95Å; Y917-Y957 AromaticContact CE1-CE1 3.68Å; Y917-Y957 HydrophobicContact CE1-CE1 3.68Å; Y917-Y957 HydrophobicContact CG-CD1 4.49Å; Y917-I960 HydrophobicContact CD2-CG2 3.99Å; Y917-I960 HydrophobicContact CE2-CG2 3.73Å; Y917-L964 HydrophobicContact CD2-CD1 3.8Å; Y917-L964 HydrophobicContact CE2-CD1 3.94Å |
| 918 | F | 82.3 | Confident | 77.4 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.6 | -175.5 | -109.8 | 0 | 0 | 0 | 112.3 | A914 S915 V916 D920 I921 Q922 I961 L1024 Y1027 | A914-F918 WeakPolarHBondContact O-CB 3.41Å; A914-F918 PolarHBondContact O-N 3.45Å; S915-F918 PolarHBondContact O-N 3.26Å; V916-F918 VanDerWaalsContact C-N 3.3Å; V916-F918 PolarHBondContact O-N 3.4Å; F918-D920 VanDerWaalsContact C-N 3.33Å; F918-D920 PolarHBondContact O-N 3.34Å; F918-I921 PolarHBondContact O-N 2.87Å; F918-Q922 HydrophobicContact CD1-CG 4.4Å; F918-Q922 HydrophobicContact CE1-CG 4.09Å; F918-Q922 HydrophobicContact CZ-CG 4.2Å; F918-Q922 WeakPolarHBondContact O-CG 3.42Å; F918-Q922 PolarHBondContact O-N 3.38Å; F918-I961 HydrophobicContact CB-CD1 4.19Å; F918-L1024 HydrophobicContact CD2-CD1 3.64Å; F918-L1024 HydrophobicContact CE2-CD1 3.79Å; F918-Y1027 AromaticContact CE2-CD1 3.94Å; F918-Y1027 HydrophobicContact CE2-CD1 3.94Å; F918-Y1027 AromaticContact CE2-CG 3.99Å; F918-Y1027 HydrophobicContact CE2-CG 3.99Å; F918-Y1027 HydrophobicContact CZ-CD2 4.44Å; F918-Y1027 HydrophobicContact CZ-CG 4.16Å |
| 919 | L | 79.5 | Confident | 75.7 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 41% | 0.408 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 173.8 | -74.4 | 169.6 | 0 | 0 | 0 | 112.4 | S915 V916 Q922 S923 | S915-L919 WeakPolarHBondContact O-CG 3.4Å; S915-L919 PolarHBondContact O-N 3.35Å; V916-L919 PolarHBondContact O-N 2.79Å; L919-Q922 PolarHBondContact O-N 2.7Å; L919-S923 WeakPolarHBondContact O-CB 3.45Å; L919-S923 PolarHBondContact O-N 3.4Å |
| 920 | D | 77.2 | Confident | 74 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.6 | -167.1 | 25.8 | 0 | 0 | 0 | 111.1 | L869 H870 V916 Y917 F918 S923 Q924 | L869-D920 HydrophobicContact CD1-CB 4.13Å; H870-D920 IonicContact CE1-OD2 2.78Å; H870-D920 PolarHBondContact CE1-OD2 3.45Å; H870-D920 IonicContact ND1-OD2 3.99Å; V916-D920 WeakPolarHBondContact O-CB 3.48Å; V916-D920 PolarHBondContact O-N 3.03Å; Y917-D920 PolarHBondContact O-N 2.98Å; F918-D920 VanDerWaalsContact C-N 3.33Å; F918-D920 PolarHBondContact O-N 3.34Å; D920-S923 WeakPolarHBondContact O-CB 3.28Å; D920-S923 PolarHBondContact O-N 3.47Å; D920-Q924 VanDerWaalsContact CG-NE2 3.35Å; D920-Q924 WeakPolarHBondContact O-CB 3.27Å; D920-Q924 VanDerWaalsContact O-CG 3.28Å; D920-Q924 WeakPolarHBondContact O-CG 3.22Å; D920-Q924 PolarHBondContact O-N 3.27Å; D920-Q924 PolarHBondContact OD1-NE2 3.06Å; D920-Q924 PolarHBondContact OD2-NE2 3.43Å |
| 921 | I | 74.8 | Confident | 72 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.046 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 172.1 | -66.3 | 173.4 | 0 | 0 | 0 | 111.3 | Y917 F918 S923 Q924 Y925 L958 I961 Y1027 | Y917-I921 WeakPolarHBondContact O-CG1 3.4Å; Y917-I921 PolarHBondContact O-N 3.44Å; F918-I921 PolarHBondContact O-N 2.87Å; I921-S923 VanDerWaalsContact C-N 3.33Å; I921-S923 PolarHBondContact O-N 3.02Å; I921-Q924 PolarHBondContact O-N 3.44Å; I921-Y925 HydrophobicContact CG2-CD2 4.05Å; I921-Y925 WeakPolarHBondContact O-CD2 3.18Å; I921-Y925 PolarHBondContact O-N 2.75Å; I921-L958 HydrophobicContact CD1-CD2 4.1Å; I921-L958 HydrophobicContact CD1-CG 4.48Å; I921-I961 HydrophobicContact CD1-CD1 3.38Å; I921-Y1027 HydrophobicContact CG2-CE1 3.79Å |
| 922 | Q | 71.7 | Confident | 70.1 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 178.4 | -73 | -175.1 | -40 | 0 | 0 | 112.1 | F918 L919 Q924 G926 Y1027 | F918-Q922 HydrophobicContact CD1-CG 4.4Å; F918-Q922 HydrophobicContact CE1-CG 4.09Å; F918-Q922 HydrophobicContact CZ-CG 4.2Å; F918-Q922 WeakPolarHBondContact O-CG 3.42Å; F918-Q922 PolarHBondContact O-N 3.38Å; L919-Q922 PolarHBondContact O-N 2.7Å; Q922-Q924 VanDerWaalsContact C-N 3.34Å; Q922-G926 VanDerWaalsContact O-CA 3.29Å; Q922-G926 WeakPolarHBondContact O-CA 3.48Å; Q922-G926 PolarHBondContact O-N 3.26Å; Q922-Y1027 HydrophobicContact CG-CE2 4.27Å |
| 923 | S | 70.5 | Confident | 68.1 | Low | 84 Ų | 84 | 51.6 Ų | 51.6 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 173.9 | 138.6 | 0 | 0 | 0 | 0 | 111.7 | L919 D920 I921 | L919-S923 WeakPolarHBondContact O-CB 3.45Å; L919-S923 PolarHBondContact O-N 3.4Å; D920-S923 WeakPolarHBondContact O-CB 3.28Å; D920-S923 PolarHBondContact O-N 3.47Å; I921-S923 VanDerWaalsContact C-N 3.33Å; I921-S923 PolarHBondContact O-N 3.02Å |
| 924 | Q | 66.7 | Low | 66.2 | Low | 90 Ų | 90 | 56.7 Ų | 56.7 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.3 | -40.8 | -175.9 | -69.7 | 174.9 | 22.8 | 0 | 0 | 113.4 | D920 I921 Q922 | D920-Q924 VanDerWaalsContact CG-NE2 3.35Å; D920-Q924 WeakPolarHBondContact O-CB 3.27Å; D920-Q924 VanDerWaalsContact O-CG 3.28Å; D920-Q924 WeakPolarHBondContact O-CG 3.22Å; D920-Q924 PolarHBondContact O-N 3.27Å; D920-Q924 PolarHBondContact OD1-NE2 3.06Å; D920-Q924 PolarHBondContact OD2-NE2 3.43Å; I921-Q924 PolarHBondContact O-N 3.44Å; Q922-Q924 VanDerWaalsContact C-N 3.34Å |
| 925 | Y | 61.9 | Low | 64.1 | Low | 80 Ų | 80 | 63.8 Ų | 63.8 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -112.6 | -5.3 | -168.9 | -60 | -81.4 | 0 | 0 | 0 | 114.4 | I921 F929 F934 | I921-Y925 HydrophobicContact CG2-CD2 4.05Å; I921-Y925 WeakPolarHBondContact O-CD2 3.18Å; I921-Y925 PolarHBondContact O-N 2.75Å; Y925-F929 HydrophobicContact CD1-CD2 4.19Å; Y925-F929 HydrophobicContact CD1-CE2 4.05Å; Y925-F929 HydrophobicContact CD2-CD2 4.38Å; Y925-F929 HydrophobicContact CD2-CE2 4.39Å; Y925-F929 HydrophobicContact CE1-CE2 4.31Å; Y925-F929 AromaticContact CG-CD2 3.92Å; Y925-F929 HydrophobicContact CG-CD2 3.92Å; Y925-F929 HydrophobicContact CG-CE2 4.1Å; Y925-F934 HydrophobicContact CD1-CZ 4.4Å; Y925-F934 HydrophobicContact CE1-CZ 4.28Å |
| 926 | G | 59.8 | Low | 61.5 | Low | 19 Ų | 19 | 69.1 Ų | 69.1 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | 85.1 | -153.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q922 Y928 Y1027 | Q922-G926 VanDerWaalsContact O-CA 3.29Å; Q922-G926 WeakPolarHBondContact O-CA 3.48Å; Q922-G926 PolarHBondContact O-N 3.26Å; G926-Y928 VanDerWaalsContact C-N 3.34Å; G926-Y928 PolarHBondContact O-N 3.2Å; G926-Y1027 PolarHBondContact O-OH 3.27Å | ||
| 927 | D | 56.1 | Low | 59.1 | Low | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -76.2 | -17.2 | -167.8 | -58.7 | -34.1 | 0 | 0 | 0 | 114.1 | Y1027 | D927-Y1027 VanDerWaalsContact C-CE2 3.45Å; D927-Y1027 WeakPolarHBondContact O-CD2 3.46Å; D927-Y1027 VanDerWaalsContact O-CE2 3.24Å; D927-Y1027 WeakPolarHBondContact O-CE2 3.42Å |
| 928 | Y | 56.1 | Low | 56.5 | Low | 112 Ų | 112 | 83.7 Ų | 83.7 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | trans | -146.9 | 137.2 | -177.9 | -60 | -69.5 | 0 | 0 | 0 | 112.4 | G926 M1029 Q1349 | G926-Y928 VanDerWaalsContact C-N 3.34Å; G926-Y928 PolarHBondContact O-N 3.2Å; Y928-M1029 HydrophobicContact CD1-CE 4.2Å; Y928-Q1349 HydrophobicContact CE1-CG 4.36Å; Y928-Q1349 HydrophobicContact CE2-CG 4.08Å; Y928-Q1349 VanDerWaalsContact CZ-OE1 3.32Å; Y928-Q1349 WeakPolarHBondContact OH-CG 3.28Å; Y928-Q1349 PolarHBondContact OH-NE2 2.98Å | ||
| 929 | F | 52.6 | Low | 54.2 | Low | 9 Ų | 9 | 87.8 Ų | 87.8 | 4% | 0.039 | 43% | 0.434 | C | S | . | . | trans | -118.1 | 114.7 | 176 | -174.3 | -94 | 0 | 0 | 0 | 110.3 | Y925 P931 F934 L958 Y1027 T1028 | Y925-F929 HydrophobicContact CD1-CD2 4.19Å; Y925-F929 HydrophobicContact CD1-CE2 4.05Å; Y925-F929 HydrophobicContact CD2-CD2 4.38Å; Y925-F929 HydrophobicContact CD2-CE2 4.39Å; Y925-F929 HydrophobicContact CE1-CE2 4.31Å; Y925-F929 AromaticContact CG-CD2 3.92Å; Y925-F929 HydrophobicContact CG-CD2 3.92Å; Y925-F929 HydrophobicContact CG-CE2 4.1Å; F929-P931 HydrophobicContact CD1-CG 4.2Å; F929-P931 HydrophobicContact CE1-CB 4.27Å; F929-P931 HydrophobicContact CE1-CG 4.36Å; F929-P931 WeakPolarHBondContact O-CD 3.33Å; F929-F934 HydrophobicContact CD2-CE2 4.25Å; F929-F934 AromaticContact CE2-CD2 3.82Å; F929-F934 HydrophobicContact CE2-CD2 3.82Å; F929-F934 AromaticContact CE2-CE2 3.54Å; F929-F934 HydrophobicContact CE2-CE2 3.54Å; F929-F934 AromaticContact CZ-CD2 3.68Å; F929-F934 HydrophobicContact CZ-CD2 3.68Å; F929-F934 AromaticContact CZ-CE2 3.92Å; F929-F934 HydrophobicContact CZ-CE2 3.92Å; F929-L958 HydrophobicContact CD1-CD1 4.23Å; F929-L958 HydrophobicContact CE1-CD1 3.7Å; F929-L958 HydrophobicContact CZ-CD1 4.38Å; F929-Y1027 HydrophobicContact CB-CD1 3.76Å; F929-Y1027 HydrophobicContact CB-CE1 3.14Å; F929-Y1027 HydrophobicContact CB-CE2 4.49Å; F929-Y1027 HydrophobicContact CG-CE1 4.15Å; F929-Y1027 PolarHBondContact N-O 3.3Å; F929-T1028 HydrophobicContact CD1-CG2 4.4Å; F929-T1028 WeakPolarHBondContact O-CA 3.49Å | ||
| 930 | N | 52.2 | Low | 51.9 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 41% | 0.412 | 46% | 0.455 | S | S | . | . | trans | -89.8 | 111.7 | 171.2 | -171.2 | -15.5 | 0 | 0 | 0 | 109.1 | N932 R933 | N930-N932 PolarHBondContact O-N 3.36Å; N930-N932 WeakPolarHBondContact OD1-CB 3.33Å; N930-N932 PolarHBondContact OD1-N 2.98Å; N930-N932 VanDerWaalsContact OD1-N 3.15Å; N930-R933 HydrophobicContact CB-CB 4.47Å; N930-R933 VanDerWaalsContact O-CB 3.27Å; N930-R933 WeakPolarHBondContact O-CB 3.43Å; N930-R933 PolarHBondContact O-N 3.05Å; N930-R933 VanDerWaalsContact O-N 3.13Å | ||
| 931 | P | 49 | Very low | 49.7 | Very low | 41 Ų | 41 | 98.3 Ų | 98.3 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -66 | -24.7 | -178.7 | -18.2 | 31.3 | 0 | 0 | 0 | 112.9 | F929 R933 T1028 | F929-P931 HydrophobicContact CD1-CG 4.2Å; F929-P931 HydrophobicContact CE1-CB 4.27Å; F929-P931 HydrophobicContact CE1-CG 4.36Å; F929-P931 WeakPolarHBondContact O-CD 3.33Å; P931-R933 PolarHBondContact O-N 3.44Å; P931-T1028 WeakPolarHBondContact CD-O 3.14Å; P931-T1028 HydrophobicContact CG-CG2 4.36Å; P931-T1028 WeakPolarHBondContact CG-O 3.43Å |
| 932 | N | 48 | Very low | 47.4 | Very low | 112 Ų | 112 | 106.3 Ų | 106.3 | 60% | 0.599 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -72.2 | -6.5 | 177.9 | -66.9 | -34.1 | 0 | 0 | 0 | 112.9 | N930 K935 | N930-N932 PolarHBondContact O-N 3.36Å; N930-N932 WeakPolarHBondContact OD1-CB 3.33Å; N930-N932 PolarHBondContact OD1-N 2.98Å; N930-N932 VanDerWaalsContact OD1-N 3.15Å; N932-K935 PolarHBondContact OD1-NZ 3.48Å |
| 933 | R | 45.6 | Very low | 45.2 | Very low | 132 Ų | 132 | 111.3 Ų | 111.3 | 50% | 0.498 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -78 | -15.6 | 179.3 | -121.1 | 177.6 | -173.8 | -170.4 | -1.6 | 114 | N930 P931 D1311 | N930-R933 HydrophobicContact CB-CB 4.47Å; N930-R933 VanDerWaalsContact O-CB 3.27Å; N930-R933 WeakPolarHBondContact O-CB 3.43Å; N930-R933 PolarHBondContact O-N 3.05Å; N930-R933 VanDerWaalsContact O-N 3.13Å; P931-R933 PolarHBondContact O-N 3.44Å; R933-D1311 IonicContact CZ-OD1 2.93Å; R933-D1311 IonicContact NH1-OD1 3.61Å; R933-D1311 PolarHBondContact NH1-OD1 2.87Å; R933-D1311 IonicContact NH2-OD1 3.82Å; R933-D1311 PolarHBondContact NH2-OD1 3.13Å |
| 934 | F | 47.5 | Very low | 43.1 | Very low | 110 Ų | 110 | 110.3 Ų | 110.3 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -129 | 20.1 | -167.9 | -61.4 | -75.4 | 0 | 0 | 0 | 114.4 | Y925 F929 | Y925-F934 HydrophobicContact CD1-CZ 4.4Å; Y925-F934 HydrophobicContact CE1-CZ 4.28Å; F929-F934 HydrophobicContact CD2-CE2 4.25Å; F929-F934 AromaticContact CE2-CD2 3.82Å; F929-F934 HydrophobicContact CE2-CD2 3.82Å; F929-F934 AromaticContact CE2-CE2 3.54Å; F929-F934 HydrophobicContact CE2-CE2 3.54Å; F929-F934 AromaticContact CZ-CD2 3.68Å; F929-F934 HydrophobicContact CZ-CD2 3.68Å; F929-F934 AromaticContact CZ-CE2 3.92Å; F929-F934 HydrophobicContact CZ-CE2 3.92Å |
| 935 | K | 40.6 | Very low | 41.4 | Very low | 150 Ų | 150 | 111.2 Ų | 111.2 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -77.7 | -17.3 | -174.8 | -83.8 | 179.9 | 175.5 | 165.5 | 0 | 115.2 | N932 | N932-K935 PolarHBondContact OD1-NZ 3.48Š|
| 936 | D | 30.5 | Very low | 39.7 | Very low | 146 Ų | 146 | 114 Ų | 114 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | trans | -129.3 | 98.8 | -176.5 | -66 | -40.4 | 0 | 0 | 0 | 110.6 | ||||
| 937 | D | 35.3 | Very low | 38 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | trans | -169.2 | 105.5 | 145.6 | -92.6 | -23.5 | 0 | 0 | 0 | 110.9 | ||||
| 938 | H | 29.2 | Very low | 36.6 | Very low | 172 Ų | 172 | 124.6 Ų | 124.6 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | trans | -10.9 | 115.2 | 173.7 | -64.3 | -77.6 | 0 | 0 | 0 | 120.8 | ||||
| 939 | I | 32.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 64% | 0.641 | 66% | 0.661 | S | S | * | * | trans | -135.8 | 73.4 | 150.9 | -50.8 | 178.9 | 0 | 0 | 0 | 109.5 | ||||
| 940 | Q | 32.1 | Very low | 34.2 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -116.8 | 14.6 | 169.3 | -135.5 | 168.8 | 8 | 0 | 0 | 111.6 | ||
| 941 | T | 30.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -130.9 | 16.2 | -169.8 | 42 | 0 | 0 | 0 | 0 | 116.2 | ||
| 942 | M | 26.8 | Very low | 32.9 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -139.3 | 58.3 | 167.6 | -78.6 | -143.8 | -78.5 | 0 | 0 | 113.2 | ||||
| 943 | I | 26.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 90% | 0.903 | 71% | 0.712 | S | S | * | * | trans | -79.1 | 112.2 | 151.8 | -63.1 | 171.1 | 0 | 0 | 0 | 106.5 | ||||
| 944 | G | 26.2 | Very low | 33.6 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | trans | 139.1 | 118.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 945 | S | 29.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | 87.7 | 97.5 | 163.3 | 71.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 946 | N | 26 | Very low | 35.7 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | 67.1 | 97.6 | 135.3 | -61.7 | -10.9 | 0 | 0 | 0 | 119.8 | ||||
| 947 | N | 25.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 117.5 Ų | 117.5 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | trans | 53.3 | 67.5 | 137 | -62 | -7.2 | 0 | 0 | 0 | 117.2 | ||||
| 948 | N | 27.3 | Very low | 39.5 | Very low | 148 Ų | 148 | 111.3 Ų | 111.3 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | trans | -139.4 | 135.1 | 170.9 | -85.4 | -38.6 | 0 | 0 | 0 | 114 | ||||
| 949 | T | 27.7 | Very low | 41.9 | Very low | 118 Ų | 118 | 106.7 Ų | 106.7 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | trans | -19.4 | 153.9 | 150.5 | 50.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 950 | S | 29.9 | Very low | 44.3 | Very low | 108 Ų | 108 | 103.6 Ų | 103.6 | 76% | 0.755 | 59% | 0.59 | S | S | * | * | trans | 76.1 | 128.7 | 159.4 | 61.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 951 | N | 31.9 | Very low | 46.8 | Very low | 147 Ų | 147 | 95.1 Ų | 95.1 | 79% | 0.786 | 55% | 0.551 | S | S | * | * | trans | 87.2 | 62.1 | 171.5 | -58.2 | -9.4 | 0 | 0 | 0 | 117.3 | N953 | N951-N953 PolarHBondContact O-N 2.96Š| ||
| 952 | T | 41.5 | Very low | 49.4 | Very low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | trans | -68 | 114.9 | 154.1 | 30.4 | 0 | 0 | 0 | 0 | 109.4 | Y957 | T952-Y957 WeakPolarHBondContact OG1-CE2 3.26Å; T952-Y957 PolarHBondContact OG1-OH 2.8Å | ||
| 953 | N | 53.5 | Low | 52.3 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | trans | -56.5 | 140.4 | -178.7 | -77.5 | -21.1 | 0 | 0 | 0 | 111.3 | N951 S955 Q956 | N951-N953 PolarHBondContact O-N 2.96Å; N953-S955 PolarHBondContact O-N 3.14Å; N953-Q956 HydrophobicContact CB-CG 4.29Å; N953-Q956 WeakPolarHBondContact O-CA 3.5Å; N953-Q956 VanDerWaalsContact O-CB 3.29Å; N953-Q956 WeakPolarHBondContact O-CB 3.19Å; N953-Q956 PolarHBondContact O-N 3.43Å | ||
| 954 | S | 55.7 | Low | 55.2 | Low | 25 Ų | 25 | 78.2 Ų | 78.2 | 18% | 0.175 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -53.9 | -29.3 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | Q956 Y957 L958 | S954-Q956 VanDerWaalsContact C-N 3.34Å; S954-Q956 PolarHBondContact O-N 3Å; S954-Y957 PolarHBondContact O-N 3.45Å; S954-L958 PolarHBondContact O-N 3.37Å |
| 955 | S | 62.3 | Low | 58.1 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 47% | 0.469 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 172 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | N953 L958 T959 | N953-S955 PolarHBondContact O-N 3.14Å; S955-L958 PolarHBondContact O-N 2.94Å; S955-T959 PolarHBondContact O-N 3.11Å; S955-T959 VanDerWaalsContact O-N 3.08Å; S955-T959 PolarHBondContact O-OG1 3.37Å |
| 956 | Q | 68.6 | Low | 60.9 | Low | 92 Ų | 92 | 73.8 Ų | 73.8 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 178.8 | -64.8 | 176.2 | -19 | 0 | 0 | 111.3 | N953 S954 T959 I960 | N953-Q956 HydrophobicContact CB-CG 4.29Å; N953-Q956 WeakPolarHBondContact O-CA 3.5Å; N953-Q956 VanDerWaalsContact O-CB 3.29Å; N953-Q956 WeakPolarHBondContact O-CB 3.19Å; N953-Q956 PolarHBondContact O-N 3.43Å; S954-Q956 VanDerWaalsContact C-N 3.34Å; S954-Q956 PolarHBondContact O-N 3Å; Q956-T959 PolarHBondContact O-N 2.94Å; Q956-I960 WeakPolarHBondContact O-CB 3.45Å; Q956-I960 WeakPolarHBondContact O-CD1 3.42Å; Q956-I960 WeakPolarHBondContact O-CG1 3.48Å; Q956-I960 PolarHBondContact O-N 2.99Å |
| 957 | Y | 70.7 | Confident | 63.9 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 176.8 | -77.5 | -77.8 | 0 | 0 | 0 | 112.4 | Y917 T952 S954 I960 I961 | Y917-Y957 AromaticContact CD1-CD1 3.61Å; Y917-Y957 HydrophobicContact CD1-CD1 3.61Å; Y917-Y957 AromaticContact CD1-CE1 3.69Å; Y917-Y957 HydrophobicContact CD1-CE1 3.69Å; Y917-Y957 AromaticContact CE1-CD1 3.95Å; Y917-Y957 HydrophobicContact CE1-CD1 3.95Å; Y917-Y957 AromaticContact CE1-CE1 3.68Å; Y917-Y957 HydrophobicContact CE1-CE1 3.68Å; Y917-Y957 HydrophobicContact CG-CD1 4.49Å; T952-Y957 WeakPolarHBondContact OG1-CE2 3.26Å; T952-Y957 PolarHBondContact OG1-OH 2.8Å; S954-Y957 PolarHBondContact O-N 3.45Å; Y957-I960 PolarHBondContact O-N 3.45Å; Y957-I961 VanDerWaalsContact O-CG1 3.3Å; Y957-I961 WeakPolarHBondContact O-CG1 3.4Å; Y957-I961 PolarHBondContact O-N 2.95Å |
| 958 | L | 75 | Confident | 66.9 | Low | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.2 | -70.6 | 170.3 | 0 | 0 | 0 | 111.2 | I921 F929 S954 S955 I960 I961 I962 L1024 T1028 | I921-L958 HydrophobicContact CD1-CD2 4.1Å; I921-L958 HydrophobicContact CD1-CG 4.48Å; F929-L958 HydrophobicContact CD1-CD1 4.23Å; F929-L958 HydrophobicContact CE1-CD1 3.7Å; F929-L958 HydrophobicContact CZ-CD1 4.38Å; S954-L958 PolarHBondContact O-N 3.37Å; S955-L958 PolarHBondContact O-N 2.94Å; L958-I960 VanDerWaalsContact C-N 3.32Å; L958-I960 PolarHBondContact O-N 3.16Å; L958-I961 PolarHBondContact O-N 3.21Å; L958-I962 WeakPolarHBondContact O-CG1 3.35Å; L958-I962 PolarHBondContact O-N 2.86Å; L958-L1024 HydrophobicContact CD2-CD1 3.77Å; L958-L1024 HydrophobicContact CD2-CG 4.47Å; L958-T1028 HydrophobicContact CD1-CG2 4.24Å; L958-T1028 HydrophobicContact CD2-CG2 3.72Å |
| 959 | T | 80.7 | Confident | 69.7 | Low | 76 Ų | 76 | 57 Ų | 57 | 47% | 0.466 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.9 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | S955 Q956 I962 N963 | S955-T959 PolarHBondContact O-N 3.11Å; S955-T959 VanDerWaalsContact O-N 3.08Å; S955-T959 PolarHBondContact O-OG1 3.37Å; Q956-T959 PolarHBondContact O-N 2.94Å; T959-I962 PolarHBondContact O-N 3.37Å; T959-N963 WeakPolarHBondContact O-CB 3.48Å; T959-N963 PolarHBondContact O-N 3.47Å; T959-N963 PolarHBondContact O-ND2 3.17Å |
| 960 | I | 82.7 | Confident | 72.6 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.7 | -71.5 | 161.4 | 0 | 0 | 0 | 110.4 | Y917 Q956 Y957 L958 I962 N963 L964 | Y917-I960 HydrophobicContact CD2-CG2 3.99Å; Y917-I960 HydrophobicContact CE2-CG2 3.73Å; Q956-I960 WeakPolarHBondContact O-CB 3.45Å; Q956-I960 WeakPolarHBondContact O-CD1 3.42Å; Q956-I960 WeakPolarHBondContact O-CG1 3.48Å; Q956-I960 PolarHBondContact O-N 2.99Å; Y957-I960 PolarHBondContact O-N 3.45Å; L958-I960 VanDerWaalsContact C-N 3.32Å; L958-I960 PolarHBondContact O-N 3.16Å; I960-I962 PolarHBondContact O-N 3.16Å; I960-N963 PolarHBondContact O-N 2.87Å; I960-L964 HydrophobicContact CG2-CD1 3.69Å; I960-L964 HydrophobicContact CG2-CG 4.27Å; I960-L964 WeakPolarHBondContact O-CB 3.43Å; I960-L964 WeakPolarHBondContact O-CD1 3.27Å; I960-L964 WeakPolarHBondContact O-CG 3.19Å; I960-L964 PolarHBondContact O-N 3.02Å |
| 961 | I | 83.7 | Confident | 75.2 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 179.2 | -65.2 | 165.4 | 0 | 0 | 0 | 110.3 | A914 F918 I921 Y957 L958 N963 L964 C965 L1024 | A914-I961 HydrophobicContact CB-CG2 4.21Å; F918-I961 HydrophobicContact CB-CD1 4.19Å; I921-I961 HydrophobicContact CD1-CD1 3.38Å; Y957-I961 VanDerWaalsContact O-CG1 3.3Å; Y957-I961 WeakPolarHBondContact O-CG1 3.4Å; Y957-I961 PolarHBondContact O-N 2.95Å; L958-I961 PolarHBondContact O-N 3.21Å; I961-N963 PolarHBondContact O-N 3.49Å; I961-L964 PolarHBondContact O-N 3.29Å; I961-C965 PolarHBondContact O-N 3.48Å; I961-C965 PolarHBondContact O-SG 3.03Å; I961-C965 VanDerWaalsContact O-SG 3.4Å; I961-L1024 HydrophobicContact CB-CD2 4.29Å; I961-L1024 HydrophobicContact CD1-CD1 4.36Å; I961-L1024 HydrophobicContact CG2-CD1 4.4Å; I961-L1024 HydrophobicContact CG2-CD2 3.82Å |
| 962 | I | 84.9 | Confident | 77.7 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.195 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.1 | -50.2 | 178.3 | -66.8 | 168.1 | 0 | 0 | 0 | 110.4 | L958 T959 I960 L964 C965 E966 L1021 L1024 Y1025 | L958-I962 WeakPolarHBondContact O-CG1 3.35Å; L958-I962 PolarHBondContact O-N 2.86Å; T959-I962 PolarHBondContact O-N 3.37Å; I960-I962 PolarHBondContact O-N 3.16Å; I962-L964 VanDerWaalsContact C-N 3.3Å; I962-L964 PolarHBondContact O-N 3.44Å; I962-C965 PolarHBondContact O-N 3.21Å; I962-E966 HydrophobicContact CG2-CG 4.31Å; I962-E966 WeakPolarHBondContact O-CG 3.48Å; I962-E966 PolarHBondContact O-N 3.2Å; I962-L1021 HydrophobicContact CG1-CD2 4.33Å; I962-L1024 HydrophobicContact CD1-CD2 4.31Å; I962-L1024 HydrophobicContact CG1-CD2 3.64Å; I962-Y1025 HydrophobicContact CD1-CE1 4.31Å |
| 963 | N | 87.9 | Confident | 79.7 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 179.3 | -71.9 | -15 | 0 | 0 | 0 | 112.5 | T959 I960 I961 E966 D967 | T959-N963 WeakPolarHBondContact O-CB 3.48Å; T959-N963 PolarHBondContact O-N 3.47Å; T959-N963 PolarHBondContact O-ND2 3.17Å; I960-N963 PolarHBondContact O-N 2.87Å; I961-N963 PolarHBondContact O-N 3.49Å; N963-E966 PolarHBondContact O-N 3.3Å; N963-D967 VanDerWaalsContact O-CB 3.3Å; N963-D967 WeakPolarHBondContact O-CB 3.36Å; N963-D967 PolarHBondContact O-N 3.05Å |
| 964 | L | 88.2 | Confident | 81 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 178.1 | -70.1 | 166.2 | 0 | 0 | 0 | 112.3 | L910 L913 A914 Y917 I960 I961 I962 A968 | L910-L964 HydrophobicContact CD2-CD2 3.65Å; L913-L964 HydrophobicContact CB-CD1 4.31Å; L913-L964 HydrophobicContact CD2-CD1 3.52Å; L913-L964 HydrophobicContact CD2-CD2 3.56Å; L913-L964 HydrophobicContact CD2-CG 4.17Å; L913-L964 HydrophobicContact CG-CD1 4.01Å; A914-L964 HydrophobicContact CB-CB 4.19Å; A914-L964 HydrophobicContact CB-CD1 4.41Å; Y917-L964 HydrophobicContact CD2-CD1 3.8Å; Y917-L964 HydrophobicContact CE2-CD1 3.94Å; I960-L964 HydrophobicContact CG2-CD1 3.69Å; I960-L964 HydrophobicContact CG2-CG 4.27Å; I960-L964 WeakPolarHBondContact O-CB 3.43Å; I960-L964 WeakPolarHBondContact O-CD1 3.27Å; I960-L964 WeakPolarHBondContact O-CG 3.19Å; I960-L964 PolarHBondContact O-N 3.02Å; I961-L964 PolarHBondContact O-N 3.29Å; I962-L964 VanDerWaalsContact C-N 3.3Å; I962-L964 PolarHBondContact O-N 3.44Å; L964-A968 WeakPolarHBondContact O-CB 3.49Å; L964-A968 PolarHBondContact O-N 3.29Å |
| 965 | C | 87.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.2 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | I961 I962 A968 I969 L1021 | I961-C965 PolarHBondContact O-N 3.48Å; I961-C965 PolarHBondContact O-SG 3.03Å; I961-C965 VanDerWaalsContact O-SG 3.4Å; I962-C965 PolarHBondContact O-N 3.21Å; C965-A968 WeakPolarHBondContact O-CB 3.43Å; C965-A968 PolarHBondContact O-N 2.74Å; C965-I969 VanDerWaalsContact O-CG1 3.32Å; C965-I969 WeakPolarHBondContact O-CG1 3.35Å; C965-I969 PolarHBondContact O-N 2.88Å; C965-L1021 HydrophobicContact CB-CD1 4.1Å; C965-L1021 HydrophobicContact CB-CD2 3.77Å; C965-L1021 HydrophobicContact CB-CG 3.78Å |
| 966 | E | 88.3 | Confident | 82.5 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.9 | -73.2 | -174.9 | 175 | 0 | 0 | 112.7 | I962 N963 I969 K970 | I962-E966 HydrophobicContact CG2-CG 4.31Å; I962-E966 WeakPolarHBondContact O-CG 3.48Å; I962-E966 PolarHBondContact O-N 3.2Å; N963-E966 PolarHBondContact O-N 3.3Å; E966-I969 WeakPolarHBondContact O-CB 3.5Å; E966-I969 PolarHBondContact O-N 3.08Å; E966-K970 WeakPolarHBondContact O-CG 3.47Å; E966-K970 PolarHBondContact O-N 2.88Å |
| 967 | D | 88.4 | Confident | 82.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.2 | -75 | -11.7 | 0 | 0 | 0 | 111.8 | L910 N963 I969 K970 H971 | L910-D967 HydrophobicContact CD1-CB 4.15Å; N963-D967 VanDerWaalsContact O-CB 3.3Å; N963-D967 WeakPolarHBondContact O-CB 3.36Å; N963-D967 PolarHBondContact O-N 3.05Å; D967-I969 VanDerWaalsContact C-N 3.33Å; D967-K970 PolarHBondContact O-N 3.41Å; D967-K970 IonicContact OD1-NZ 3.15Å; D967-K970 PolarHBondContact OD1-NZ 3.47Å; D967-H971 PolarHBondContact O-CD2 3.31Å; D967-H971 PolarHBondContact O-N 3.43Å |
| 968 | A | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L910 L911 L964 C965 V972 | L910-A968 HydrophobicContact CB-CB 4.08Å; L910-A968 HydrophobicContact CD1-CB 4.21Å; L911-A968 HydrophobicContact CD2-CB 4.23Å; L911-A968 HydrophobicContact CG-CB 4.28Å; L964-A968 WeakPolarHBondContact O-CB 3.49Å; L964-A968 PolarHBondContact O-N 3.29Å; C965-A968 WeakPolarHBondContact O-CB 3.43Å; C965-A968 PolarHBondContact O-N 2.74Å; A968-V972 WeakPolarHBondContact O-CB 3.28Å; A968-V972 VanDerWaalsContact O-CG2 3.31Å; A968-V972 WeakPolarHBondContact O-CG2 3.09Å; A968-V972 PolarHBondContact O-N 2.94Å |
| 969 | I | 86.8 | Confident | 80.4 | Confident | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.8 | -67 | 165.9 | 0 | 0 | 0 | 110.6 | C965 E966 D967 H971 V972 S973 S1017 I1018 L1021 | C965-I969 VanDerWaalsContact O-CG1 3.32Å; C965-I969 WeakPolarHBondContact O-CG1 3.35Å; C965-I969 PolarHBondContact O-N 2.88Å; E966-I969 WeakPolarHBondContact O-CB 3.5Å; E966-I969 PolarHBondContact O-N 3.08Å; D967-I969 VanDerWaalsContact C-N 3.33Å; I969-H971 PolarHBondContact O-N 3.05Å; I969-V972 PolarHBondContact O-N 3.37Å; I969-S973 WeakPolarHBondContact O-CB 3.39Å; I969-S973 PolarHBondContact O-N 2.85Å; I969-S973 PolarHBondContact O-OG 3.4Å; I969-S1017 WeakPolarHBondContact CD1-OG 3.39Å; I969-S1017 WeakPolarHBondContact CG1-OG 3.19Å; I969-I1018 HydrophobicContact CD1-CG1 4.32Å; I969-L1021 HydrophobicContact CD1-CD1 4.08Å |
| 970 | K | 87 | Confident | 78.8 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 179.5 | -72.8 | 170.1 | -159.6 | 154.7 | 0 | 112.2 | E966 D967 V972 S973 T974 | E966-K970 WeakPolarHBondContact O-CG 3.47Å; E966-K970 PolarHBondContact O-N 2.88Å; D967-K970 PolarHBondContact O-N 3.41Å; D967-K970 IonicContact OD1-NZ 3.15Å; D967-K970 PolarHBondContact OD1-NZ 3.47Å; K970-V972 VanDerWaalsContact C-N 3.33Å; K970-V972 PolarHBondContact O-N 3.11Å; K970-S973 WeakPolarHBondContact CA-OG 3.43Å; K970-S973 PolarHBondContact O-N 3.25Å; K970-S973 PolarHBondContact O-OG 3.18Å; K970-T974 WeakPolarHBondContact O-CG2 3.48Å; K970-T974 PolarHBondContact O-N 2.67Å |
| 971 | H | 84.8 | Confident | 76.5 | Confident | 61 Ų | 61 | 54 Ų | 54 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179.4 | -77.4 | -58.9 | 0 | 0 | 0 | 112 | D967 I969 T974 | D967-H971 PolarHBondContact O-CD2 3.31Å; D967-H971 PolarHBondContact O-N 3.43Å; I969-H971 PolarHBondContact O-N 3.05Å; H971-T974 PolarHBondContact O-N 3.33Å; H971-T974 PolarHBondContact O-OG1 3.43Å |
| 972 | V | 84.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.4 | -36 | -178.8 | 164.2 | 0 | 0 | 0 | 0 | 111.9 | S907 A968 I969 K970 T974 I975 I976 A1010 I1013 Q1014 | S907-V972 WeakPolarHBondContact OG-CG2 3.39Å; A968-V972 WeakPolarHBondContact O-CB 3.28Å; A968-V972 VanDerWaalsContact O-CG2 3.31Å; A968-V972 WeakPolarHBondContact O-CG2 3.09Å; A968-V972 PolarHBondContact O-N 2.94Å; I969-V972 PolarHBondContact O-N 3.37Å; K970-V972 VanDerWaalsContact C-N 3.33Å; K970-V972 PolarHBondContact O-N 3.11Å; V972-T974 PolarHBondContact O-N 3.47Å; V972-I975 WeakPolarHBondContact O-CB 3.21Å; V972-I975 PolarHBondContact O-N 2.91Å; V972-I976 HydrophobicContact CG1-CD1 3.48Å; V972-I976 VanDerWaalsContact CG1-CD1 3.48Å; V972-I976 HydrophobicContact CG1-CG1 4.3Å; V972-I976 WeakPolarHBondContact O-CG1 3.48Å; V972-I976 PolarHBondContact O-N 3.31Å; V972-A1010 VanDerWaalsContact CG1-C 3.48Å; V972-A1010 HydrophobicContact CG1-CB 3.87Å; V972-A1010 WeakPolarHBondContact CG1-O 3.49Å; V972-I1013 HydrophobicContact CG2-CB 4.18Å; V972-I1013 HydrophobicContact CG2-CG2 3.8Å; V972-Q1014 HydrophobicContact CG1-CB 3.91Å |
| 973 | S | 83 | Confident | 71.8 | Confident | 58 Ų | 58 | 62 Ų | 62 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -26.2 | 177.1 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | I969 K970 I975 I976 | I969-S973 WeakPolarHBondContact O-CB 3.39Å; I969-S973 PolarHBondContact O-N 2.85Å; I969-S973 PolarHBondContact O-OG 3.4Å; K970-S973 WeakPolarHBondContact CA-OG 3.43Å; K970-S973 PolarHBondContact O-N 3.25Å; K970-S973 PolarHBondContact O-OG 3.18Å; S973-I975 PolarHBondContact O-N 2.97Å; S973-I976 PolarHBondContact O-N 3.24Å |
| 974 | T | 81.9 | Confident | 69.3 | Low | 77 Ų | 77 | 65.4 Ų | 65.4 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -18.3 | 172.5 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | K903 K970 H971 V972 | K903-T974 PolarHBondContact NZ-OG1 3.42Å; K970-T974 WeakPolarHBondContact O-CG2 3.48Å; K970-T974 PolarHBondContact O-N 2.67Å; H971-T974 PolarHBondContact O-N 3.33Å; H971-T974 PolarHBondContact O-OG1 3.43Å; V972-T974 PolarHBondContact O-N 3.47Å |
| 975 | I | 79.8 | Confident | 66.7 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -92.7 | -27.3 | 178.1 | -55.6 | 174 | 0 | 0 | 0 | 110.6 | N900 K903 I904 V972 S973 I1006 K1007 A1010 | N900-I975 HydrophobicContact CB-CD1 4.2Å; N900-I975 HydrophobicContact CB-CG1 4.47Å; K903-I975 HydrophobicContact CB-CD1 4.04Å; K903-I975 HydrophobicContact CD-CD1 4.22Å; K903-I975 HydrophobicContact CD-CG1 4.21Å; I904-I975 HydrophobicContact CD1-CD1 4.43Å; I904-I975 HydrophobicContact CG1-CD1 4.03Å; V972-I975 WeakPolarHBondContact O-CB 3.21Å; V972-I975 PolarHBondContact O-N 2.91Å; S973-I975 PolarHBondContact O-N 2.97Å; I975-I1006 HydrophobicContact CG2-CG2 4.02Å; I975-K1007 HydrophobicContact CG2-CG 4.28Å; I975-K1007 WeakPolarHBondContact O-CE 3.44Å; I975-A1010 HydrophobicContact CB-CB 4.1Å; I975-A1010 HydrophobicContact CD1-CB 4.28Å; I975-A1010 HydrophobicContact CG2-CB 3.92Å |
| 976 | I | 70.2 | Confident | 64.1 | Low | 13 Ų | 13 | 82.1 Ų | 82.1 | 7% | 0.067 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -85.6 | -17.9 | -165.4 | -69.9 | 176.1 | 0 | 0 | 0 | 113.3 | V972 S973 L978 A1010 I1011 Q1014 | V972-I976 HydrophobicContact CG1-CD1 3.48Å; V972-I976 VanDerWaalsContact CG1-CD1 3.48Å; V972-I976 HydrophobicContact CG1-CG1 4.3Å; V972-I976 WeakPolarHBondContact O-CG1 3.48Å; V972-I976 PolarHBondContact O-N 3.31Å; S973-I976 PolarHBondContact O-N 3.24Å; I976-L978 HydrophobicContact CG2-CB 3.92Å; I976-L978 HydrophobicContact CG2-CD1 3.73Å; I976-L978 HydrophobicContact CG2-CG 4.01Å; I976-L978 WeakPolarHBondContact O-CG 3.42Å; I976-L978 PolarHBondContact O-N 2.69Å; I976-A1010 HydrophobicContact CD1-CB 4.11Å; I976-A1010 HydrophobicContact CG1-CB 3.92Å; I976-I1011 HydrophobicContact CD1-CB 4.42Å; I976-I1011 HydrophobicContact CD1-CG1 3.74Å; I976-I1011 HydrophobicContact CG1-CG1 4.05Å; I976-I1011 HydrophobicContact CG2-CG1 4.48Å; I976-Q1014 HydrophobicContact CD1-CB 4.33Å |
| 977 | D | 63.7 | Low | 61.2 | Low | 124 Ų | 124 | 81.8 Ų | 81.8 | 66% | 0.663 | 45% | 0.45 | S | S | * | . | trans | 50.4 | -0.2 | 179.4 | -65.7 | -32.6 | 0 | 0 | 0 | 117.1 | K979 K1007 | D977-K979 PolarHBondContact O-N 2.92Å; D977-K1007 IonicContact OD2-NZ 3.54Å; D977-K1007 PolarHBondContact OD2-NZ 2.86Å | ||
| 978 | L | 56.4 | Low | 58.3 | Low | 51 Ų | 51 | 86.6 Ų | 86.6 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | trans | -86.9 | 99.8 | 177 | -64.9 | 164.5 | 0 | 0 | 0 | 108.5 | I976 L980 I1001 I1047 | I976-L978 HydrophobicContact CG2-CB 3.92Å; I976-L978 HydrophobicContact CG2-CD1 3.73Å; I976-L978 HydrophobicContact CG2-CG 4.01Å; I976-L978 WeakPolarHBondContact O-CG 3.42Å; I976-L978 PolarHBondContact O-N 2.69Å; L978-L980 PolarHBondContact O-N 2.94Å; L978-I1001 HydrophobicContact CD2-CD1 4.09Å; L978-I1047 HydrophobicContact CD1-CG2 4Å | ||
| 979 | K | 48.9 | Very low | 55.5 | Low | 200 Ų | 200 | 93.9 Ų | 93.9 | 87% | 0.87 | 51% | 0.514 | S | S | * | . | trans | -66.5 | 98.3 | 163.8 | -76.7 | -175.8 | 179.2 | 177.2 | 0 | 108.4 | D977 S981 | D977-K979 PolarHBondContact O-N 2.92Å; K979-S981 VanDerWaalsContact C-N 3.27Å; K979-S981 PolarHBondContact O-N 3.23Å | ||
| 980 | L | 48.3 | Very low | 52.8 | Low | 72 Ų | 72 | 97 Ų | 97 | 38% | 0.377 | 54% | 0.539 | S | S | . | . | trans | -64.7 | 89.5 | 164.1 | -71.7 | 157.3 | 0 | 0 | 0 | 107.6 | L978 Q1043 L1044 I1047 | L978-L980 PolarHBondContact O-N 2.94Å; L980-Q1043 HydrophobicContact CD2-CB 4.29Å; L980-L1044 HydrophobicContact CD1-CD2 4.39Å; L980-I1047 HydrophobicContact CD2-CD1 3.9Å | ||
| 981 | S | 32.7 | Very low | 50.2 | Low | 63 Ų | 63 | 99.3 Ų | 99.3 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | trans | -78.8 | 137.5 | -178.4 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | K979 S983 | K979-S981 VanDerWaalsContact C-N 3.27Å; K979-S981 PolarHBondContact O-N 3.23Å; S981-S983 WeakPolarHBondContact CB-OG 3.27Å; S981-S983 PolarHBondContact O-N 3.44Å; S981-S983 PolarHBondContact OG-OG 3.47Å | ||
| 982 | P | 36.2 | Very low | 47.5 | Very low | 122 Ų | 122 | 102.7 Ų | 102.7 | 79% | 0.792 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -71.7 | 10.4 | 179.2 | 27.8 | -33.2 | 0 | 0 | 0 | 115 | I984 | P982-I984 PolarHBondContact O-N 2.91Š|
| 983 | S | 35.3 | Very low | 45.1 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 6.8 | -166.8 | 36.7 | 0 | 0 | 0 | 0 | 116.5 | S981 | S981-S983 WeakPolarHBondContact CB-OG 3.27Å; S981-S983 PolarHBondContact O-N 3.44Å; S981-S983 PolarHBondContact OG-OG 3.47Å |
| 984 | I | 34 | Very low | 43.1 | Very low | 147 Ų | 147 | 109.8 Ų | 109.8 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 23.6 | -179.5 | -48 | 175.5 | 0 | 0 | 0 | 111.9 | P982 Q986 | P982-I984 PolarHBondContact O-N 2.91Å; I984-Q986 VanDerWaalsContact C-N 3.35Å |
| 985 | Q | 34.5 | Very low | 41 | Very low | 182 Ų | 182 | 111.4 Ų | 111.4 | 85% | 0.85 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -84.7 | -1.5 | 174.4 | -78.9 | -174.1 | -18.2 | 0 | 0 | 114.5 | ||
| 986 | Q | 32 | Very low | 39.2 | Very low | 177 Ų | 177 | 118.4 Ų | 118.4 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -132.1 | 103.9 | 174.5 | -69.3 | -178.1 | -5.2 | 0 | 0 | 108.6 | I984 N988 | I984-Q986 VanDerWaalsContact C-N 3.35Å; Q986-N988 PolarHBondContact O-N 2.88Å; Q986-N988 VanDerWaalsContact O-N 3.11Å |
| 987 | G | 28 | Very low | 37.8 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -61.5 | 113.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 988 | N | 28.1 | Very low | 36.9 | Very low | 156 Ų | 156 | 119 Ų | 119 | 83% | 0.834 | 66% | 0.657 | S | S | * | * | trans | -177.3 | 24.7 | 157.7 | -95.6 | -10.6 | 0 | 0 | 0 | 115.7 | Q986 | Q986-N988 PolarHBondContact O-N 2.88Å; Q986-N988 VanDerWaalsContact O-N 3.11Å | ||
| 989 | D | 29.2 | Very low | 36.2 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -131 | 77.5 | 170 | -82.3 | -37.5 | 0 | 0 | 0 | 112 | ||||
| 990 | S | 29.7 | Very low | 36 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | trans | -68.2 | 122.2 | 157.8 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 991 | N | 31.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 118.6 Ų | 118.6 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 103 | 9.6 | 163.2 | -57.8 | -31 | 0 | 0 | 0 | 120.9 | ||
| 992 | L | 28.3 | Very low | 37.2 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -115.8 | 119 | 174.4 | -80.8 | 109.5 | 0 | 0 | 0 | 114.3 | ||
| 993 | N | 35.1 | Very low | 38.4 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 62% | 0.615 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 85.7 | -4.5 | 163 | -66.2 | -15.2 | 0 | 0 | 0 | 122.1 | T995 H996 | N993-T995 PolarHBondContact O-N 3.5Å; N993-H996 PolarHBondContact O-N 3.31Å |
| 994 | V | 41.2 | Very low | 40 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.3 | -29.8 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 113.2 | H996 L998 | V994-H996 PolarHBondContact O-N 3.26Å; V994-L998 HydrophobicContact CG1-CD1 3.66Å; V994-L998 HydrophobicContact CG1-CG 4.39Å; V994-L998 WeakPolarHBondContact O-CD1 3.49Å; V994-L998 VanDerWaalsContact O-CG 3.3Å; V994-L998 WeakPolarHBondContact O-CG 3.14Å; V994-L998 PolarHBondContact O-N 3.41Å |
| 995 | T | 38.1 | Very low | 41.8 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.7 | -24 | 178.7 | 47.2 | 0 | 0 | 0 | 0 | 114 | N993 | N993-T995 PolarHBondContact O-N 3.5Å |
| 996 | H | 41.5 | Very low | 43.8 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 70% | 0.704 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -84.5 | -31.7 | 179.6 | -138.2 | -66.7 | 0 | 0 | 0 | 112.3 | N993 V994 | N993-H996 PolarHBondContact O-N 3.31Å; V994-H996 PolarHBondContact O-N 3.26Å |
| 997 | L | 40.7 | Very low | 46 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 60% | 0.602 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.1 | -29 | 173.5 | -98.9 | 110.4 | 0 | 0 | 0 | 113.3 | ||
| 998 | L | 44.1 | Very low | 48.3 | Very low | 34 Ų | 34 | 105.5 Ų | 105.5 | 18% | 0.178 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.6 | -174.3 | -77.9 | 167.4 | 0 | 0 | 0 | 114.8 | V994 V1051 | V994-L998 HydrophobicContact CG1-CD1 3.66Å; V994-L998 HydrophobicContact CG1-CG 4.39Å; V994-L998 WeakPolarHBondContact O-CD1 3.49Å; V994-L998 VanDerWaalsContact O-CG 3.3Å; V994-L998 WeakPolarHBondContact O-CG 3.14Å; V994-L998 PolarHBondContact O-N 3.41Å; L998-V1051 HydrophobicContact CD2-CG2 4.09Å |
| 999 | N | 42.2 | Very low | 50.8 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.8 | -176.3 | -92.9 | -25 | 0 | 0 | 0 | 114.8 | H1054 K1058 | N999-H1054 PolarHBondContact OD1-NE2 2.68Å; N999-K1058 PolarHBondContact OD1-NZ 3.23Å |
| 1000 | E | 44.5 | Very low | 53.3 | Low | 171 Ų | 171 | 92.1 Ų | 92.1 | 80% | 0.799 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -107 | -6.9 | -175.8 | -72.2 | -173.8 | 156.4 | 0 | 0 | 115.1 | Q1002 | E1000-Q1002 PolarHBondContact O-N 3.23Š|
| 1001 | I | 52.1 | Low | 55.9 | Low | 47 Ų | 47 | 87.9 Ų | 87.9 | 24% | 0.241 | 45% | 0.452 | C | S | . | . | trans | -83.2 | 84.8 | -170.8 | -52.3 | 173.1 | 0 | 0 | 0 | 111.4 | L978 L1003 V1051 | L978-I1001 HydrophobicContact CD2-CD1 4.09Å; I1001-L1003 HydrophobicContact CG2-CG 4.16Å; I1001-L1003 PolarHBondContact O-N 3.45Å; I1001-V1051 HydrophobicContact CD1-CG2 4.25Å | ||
| 1002 | Q | 55.4 | Low | 58.3 | Low | 154 Ų | 154 | 81.3 Ų | 81.3 | 72% | 0.72 | 42% | 0.417 | S | S | * | . | trans | -80 | 103.2 | 159.6 | -75.3 | -172.7 | -12.4 | 0 | 0 | 109.8 | E1000 N1004 | E1000-Q1002 PolarHBondContact O-N 3.23Å; Q1002-N1004 PolarHBondContact O-N 3.17Å | ||
| 1003 | L | 60 | Low | 61.1 | Low | 46 Ų | 46 | 75.1 Ų | 75.1 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | trans | -73 | 98.7 | 172.8 | -81.7 | 152.2 | 0 | 0 | 0 | 110.8 | I1001 K1007 I1011 V1051 | I1001-L1003 HydrophobicContact CG2-CG 4.16Å; I1001-L1003 PolarHBondContact O-N 3.45Å; L1003-K1007 HydrophobicContact CD2-CB 4.32Å; L1003-I1011 HydrophobicContact CD2-CD1 3.53Å; L1003-V1051 HydrophobicContact CD1-CB 4.4Å; L1003-V1051 HydrophobicContact CD1-CG1 3.58Å | ||
| 1004 | N | 69.1 | Low | 63.6 | Low | 93 Ų | 93 | 70.3 Ų | 70.3 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | trans | -80.7 | 161.3 | 168.6 | -71.7 | -5.7 | 0 | 0 | 0 | 111.3 | Q1002 I1006 K1007 L1008 | Q1002-N1004 PolarHBondContact O-N 3.17Å; N1004-I1006 PolarHBondContact O-N 2.92Å; N1004-I1006 VanDerWaalsContact O-N 3.11Å; N1004-K1007 PolarHBondContact O-N 2.71Å; N1004-L1008 PolarHBondContact O-N 2.67Å | ||
| 1005 | H | 72.3 | Confident | 65.7 | Low | 157 Ų | 157 | 66 Ų | 66 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.6 | -34.3 | 179.8 | -175.8 | -86.2 | 0 | 0 | 0 | 113.2 | L1008 S1009 | H1005-L1008 PolarHBondContact O-N 2.86Å; H1005-S1009 PolarHBondContact O-N 3.36Å; H1005-S1009 PolarHBondContact O-OG 3.38Å |
| 1006 | I | 76.4 | Confident | 68 | Low | 31 Ų | 31 | 64.9 Ų | 64.9 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 175.1 | -63 | 175.1 | 0 | 0 | 0 | 111.4 | D897 N900 I904 I975 N1004 L1008 S1009 A1010 | D897-I1006 HydrophobicContact CB-CD1 3.67Å; N900-I1006 HydrophobicContact CB-CG2 3.52Å; I904-I1006 HydrophobicContact CD1-CB 4.41Å; I904-I1006 HydrophobicContact CD1-CG2 3.73Å; I975-I1006 HydrophobicContact CG2-CG2 4.02Å; N1004-I1006 PolarHBondContact O-N 2.92Å; N1004-I1006 VanDerWaalsContact O-N 3.11Å; I1006-L1008 VanDerWaalsContact C-N 3.27Å; I1006-L1008 PolarHBondContact O-N 3.06Å; I1006-S1009 WeakPolarHBondContact CA-OG 3.45Å; I1006-S1009 PolarHBondContact O-N 3.29Å; I1006-S1009 PolarHBondContact O-OG 2.98Å; I1006-A1010 VanDerWaalsContact O-CB 3.26Å; I1006-A1010 WeakPolarHBondContact O-CB 3.24Å; I1006-A1010 PolarHBondContact O-N 3.26Å |
| 1007 | K | 77.8 | Confident | 70.2 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 175.8 | -69.8 | -168.6 | 171.8 | -167.2 | 0 | 111.2 | I975 D977 L1003 N1004 A1010 I1011 | I975-K1007 HydrophobicContact CG2-CG 4.28Å; I975-K1007 WeakPolarHBondContact O-CE 3.44Å; D977-K1007 IonicContact OD2-NZ 3.54Å; D977-K1007 PolarHBondContact OD2-NZ 2.86Å; L1003-K1007 HydrophobicContact CD2-CB 4.32Å; N1004-K1007 PolarHBondContact O-N 2.71Å; K1007-A1010 WeakPolarHBondContact O-CB 3.34Å; K1007-I1011 WeakPolarHBondContact O-CB 3.29Å; K1007-I1011 WeakPolarHBondContact O-CD1 3.48Å; K1007-I1011 WeakPolarHBondContact O-CG1 3.29Å; K1007-I1011 PolarHBondContact O-N 3Å |
| 1008 | L | 76.5 | Confident | 72.5 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.2 | -46.4 | 177.4 | -158.2 | 94.9 | 0 | 0 | 0 | 113.2 | N1004 H1005 I1006 A1010 I1011 N1012 Y1097 | N1004-L1008 PolarHBondContact O-N 2.67Å; H1005-L1008 PolarHBondContact O-N 2.86Å; I1006-L1008 VanDerWaalsContact C-N 3.27Å; I1006-L1008 PolarHBondContact O-N 3.06Å; L1008-A1010 VanDerWaalsContact C-N 3.33Å; L1008-I1011 PolarHBondContact O-N 3.47Å; L1008-N1012 WeakPolarHBondContact O-CB 3.31Å; L1008-N1012 PolarHBondContact O-N 3.23Å; L1008-Y1097 HydrophobicContact CD1-CD1 3.18Å; L1008-Y1097 HydrophobicContact CD1-CE1 3.88Å; L1008-Y1097 HydrophobicContact CD1-CG 3.89Å; L1008-Y1097 HydrophobicContact CD2-CD1 3.69Å; L1008-Y1097 HydrophobicContact CG-CD1 4.01Å |
| 1009 | S | 80.1 | Confident | 74.6 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 176.4 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | I904 H1005 I1006 N1012 I1013 | I904-S1009 VanDerWaalsContact CD1-OG 3.24Å; I904-S1009 WeakPolarHBondContact CD1-OG 3.45Å; H1005-S1009 PolarHBondContact O-N 3.36Å; H1005-S1009 PolarHBondContact O-OG 3.38Å; I1006-S1009 WeakPolarHBondContact CA-OG 3.45Å; I1006-S1009 PolarHBondContact O-N 3.29Å; I1006-S1009 PolarHBondContact O-OG 2.98Å; S1009-N1012 PolarHBondContact O-N 3.34Å; S1009-I1013 WeakPolarHBondContact O-CG1 2.96Å; S1009-I1013 PolarHBondContact O-N 3.18Å |
| 1010 | A | 83.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.2 | -54.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V972 I975 I976 I1006 K1007 L1008 N1012 I1013 Q1014 | V972-A1010 VanDerWaalsContact CG1-C 3.48Å; V972-A1010 HydrophobicContact CG1-CB 3.87Å; V972-A1010 WeakPolarHBondContact CG1-O 3.49Å; I975-A1010 HydrophobicContact CB-CB 4.1Å; I975-A1010 HydrophobicContact CD1-CB 4.28Å; I975-A1010 HydrophobicContact CG2-CB 3.92Å; I976-A1010 HydrophobicContact CD1-CB 4.11Å; I976-A1010 HydrophobicContact CG1-CB 3.92Å; I1006-A1010 VanDerWaalsContact O-CB 3.26Å; I1006-A1010 WeakPolarHBondContact O-CB 3.24Å; I1006-A1010 PolarHBondContact O-N 3.26Å; K1007-A1010 WeakPolarHBondContact O-CB 3.34Å; L1008-A1010 VanDerWaalsContact C-N 3.33Å; A1010-N1012 VanDerWaalsContact C-N 3.31Å; A1010-N1012 PolarHBondContact O-N 3.44Å; A1010-I1013 PolarHBondContact O-N 3.05Å; A1010-Q1014 PolarHBondContact O-N 3.02Å |
| 1011 | I | 82.3 | Confident | 78.7 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -40.9 | 178.1 | -73.2 | 166.8 | 0 | 0 | 0 | 112.2 | I976 L1003 K1007 L1008 Q1014 A1015 I1048 M1098 | I976-I1011 HydrophobicContact CD1-CB 4.42Å; I976-I1011 HydrophobicContact CD1-CG1 3.74Å; I976-I1011 HydrophobicContact CG1-CG1 4.05Å; I976-I1011 HydrophobicContact CG2-CG1 4.48Å; L1003-I1011 HydrophobicContact CD2-CD1 3.53Å; K1007-I1011 WeakPolarHBondContact O-CB 3.29Å; K1007-I1011 WeakPolarHBondContact O-CD1 3.48Å; K1007-I1011 WeakPolarHBondContact O-CG1 3.29Å; K1007-I1011 PolarHBondContact O-N 3Å; L1008-I1011 PolarHBondContact O-N 3.47Å; I1011-Q1014 PolarHBondContact O-N 3.24Å; I1011-A1015 PolarHBondContact O-N 3.44Å; I1011-I1048 HydrophobicContact CG2-CD1 3.52Å; I1011-I1048 HydrophobicContact CG2-CG1 4.42Å; I1011-M1098 HydrophobicContact CG2-CE 3.27Å |
| 1012 | N | 83.7 | Confident | 80.4 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 178.7 | -167.1 | -18.6 | 0 | 0 | 0 | 111.7 | L1008 S1009 A1010 A1015 K1016 I1101 | L1008-N1012 WeakPolarHBondContact O-CB 3.31Å; L1008-N1012 PolarHBondContact O-N 3.23Å; S1009-N1012 PolarHBondContact O-N 3.34Å; A1010-N1012 VanDerWaalsContact C-N 3.31Å; A1010-N1012 PolarHBondContact O-N 3.44Å; N1012-A1015 PolarHBondContact O-N 3.17Å; N1012-K1016 WeakPolarHBondContact O-CG 3.44Å; N1012-K1016 PolarHBondContact O-N 3.35Å; N1012-K1016 VanDerWaalsContact OD1-CE 3.3Å; N1012-K1016 WeakPolarHBondContact OD1-CE 3.49Å; N1012-I1101 VanDerWaalsContact OD1-CD1 3.23Å; N1012-I1101 WeakPolarHBondContact OD1-CD1 3.46Å |
| 1013 | I | 86 | Confident | 81.8 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 174.2 | -67.8 | 171.6 | 0 | 0 | 0 | 111.1 | I904 S907 E908 L911 V972 S1009 A1010 A1015 K1016 S1017 | I904-I1013 HydrophobicContact CB-CD1 4.2Å; I904-I1013 HydrophobicContact CG2-CD1 3.51Å; S907-I1013 WeakPolarHBondContact OG-CD1 3.3Å; E908-I1013 HydrophobicContact CG-CD1 3.63Å; E908-I1013 HydrophobicContact CG-CG1 4.18Å; L911-I1013 HydrophobicContact CD1-CG2 3.71Å; V972-I1013 HydrophobicContact CG2-CB 4.18Å; V972-I1013 HydrophobicContact CG2-CG2 3.8Å; S1009-I1013 WeakPolarHBondContact O-CG1 2.96Å; S1009-I1013 PolarHBondContact O-N 3.18Å; A1010-I1013 PolarHBondContact O-N 3.05Å; I1013-A1015 VanDerWaalsContact C-N 3.34Å; I1013-A1015 PolarHBondContact O-N 3.13Å; I1013-K1016 PolarHBondContact O-N 3.22Å; I1013-S1017 WeakPolarHBondContact O-CB 3.4Å; I1013-S1017 PolarHBondContact O-N 3.07Å; I1013-S1017 PolarHBondContact O-OG 3.19Å |
| 1014 | Q | 87.5 | Confident | 82.9 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 175.2 | -170.5 | 178.5 | 2 | 0 | 0 | 110.8 | V972 I976 A1010 I1011 K1016 S1017 I1018 L1044 | V972-Q1014 HydrophobicContact CG1-CB 3.91Å; I976-Q1014 HydrophobicContact CD1-CB 4.33Å; A1010-Q1014 PolarHBondContact O-N 3.02Å; I1011-Q1014 PolarHBondContact O-N 3.24Å; Q1014-K1016 PolarHBondContact O-N 3.28Å; Q1014-S1017 PolarHBondContact O-N 3.01Å; Q1014-S1017 PolarHBondContact O-OG 3.13Å; Q1014-I1018 HydrophobicContact CG-CD1 4.11Å; Q1014-I1018 WeakPolarHBondContact O-CG1 3.24Å; Q1014-I1018 PolarHBondContact O-N 3.33Å; Q1014-I1018 VanDerWaalsContact O-N 3.08Å; Q1014-L1044 HydrophobicContact CG-CD1 3.91Å |
| 1015 | A | 86.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1011 N1012 I1013 S1017 I1018 V1019 L1041 M1098 I1101 | I1011-A1015 PolarHBondContact O-N 3.44Å; N1012-A1015 PolarHBondContact O-N 3.17Å; I1013-A1015 VanDerWaalsContact C-N 3.34Å; I1013-A1015 PolarHBondContact O-N 3.13Å; A1015-S1017 VanDerWaalsContact C-N 3.31Å; A1015-S1017 PolarHBondContact O-N 3.46Å; A1015-I1018 PolarHBondContact O-N 3.29Å; A1015-V1019 VanDerWaalsContact O-CG2 3.25Å; A1015-V1019 WeakPolarHBondContact O-CG2 3.35Å; A1015-V1019 PolarHBondContact O-N 3.41Å; A1015-L1041 HydrophobicContact CB-CD1 4.02Å; A1015-M1098 HydrophobicContact CB-CE 3.77Å; A1015-M1098 HydrophobicContact CB-SD 4.31Å; A1015-I1101 HydrophobicContact CB-CD1 3.42Å; A1015-I1101 VanDerWaalsContact CB-CD1 3.42Å; A1015-I1101 HydrophobicContact CB-CG1 4.22Å; A1015-I1101 HydrophobicContact CB-CG2 4.23Å |
| 1016 | K | 87.2 | Confident | 84.1 | Confident | 90 Ų | 90 | 23.7 Ų | 23.7 | 39% | 0.391 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60 | -39.2 | 174.5 | -74.8 | 175.2 | -178.5 | 173.4 | 0 | 112.8 | L911 N1012 I1013 Q1014 V1019 Q1020 I1101 | L911-K1016 HydrophobicContact CD1-CB 4.03Å; N1012-K1016 WeakPolarHBondContact O-CG 3.44Å; N1012-K1016 PolarHBondContact O-N 3.35Å; N1012-K1016 VanDerWaalsContact OD1-CE 3.3Å; N1012-K1016 WeakPolarHBondContact OD1-CE 3.49Å; I1013-K1016 PolarHBondContact O-N 3.22Å; Q1014-K1016 PolarHBondContact O-N 3.28Å; K1016-V1019 PolarHBondContact O-N 3.26Å; K1016-Q1020 PolarHBondContact O-N 2.97Å; K1016-I1101 HydrophobicContact CG-CG1 4.48Å |
| 1017 | S | 87.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | I969 I1013 Q1014 A1015 Q1020 L1021 | I969-S1017 WeakPolarHBondContact CD1-OG 3.39Å; I969-S1017 WeakPolarHBondContact CG1-OG 3.19Å; I1013-S1017 WeakPolarHBondContact O-CB 3.4Å; I1013-S1017 PolarHBondContact O-N 3.07Å; I1013-S1017 PolarHBondContact O-OG 3.19Å; Q1014-S1017 PolarHBondContact O-N 3.01Å; Q1014-S1017 PolarHBondContact O-OG 3.13Å; A1015-S1017 VanDerWaalsContact C-N 3.31Å; A1015-S1017 PolarHBondContact O-N 3.46Å; S1017-Q1020 PolarHBondContact O-N 2.92Å; S1017-L1021 PolarHBondContact O-N 3.42Å |
| 1018 | I | 88.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.5 | -66.2 | 166.1 | 0 | 0 | 0 | 110 | I969 Q1014 A1015 Q1020 L1021 I1022 E1037 K1040 L1041 L1044 | I969-I1018 HydrophobicContact CD1-CG1 4.32Å; Q1014-I1018 HydrophobicContact CG-CD1 4.11Å; Q1014-I1018 WeakPolarHBondContact O-CG1 3.24Å; Q1014-I1018 PolarHBondContact O-N 3.33Å; Q1014-I1018 VanDerWaalsContact O-N 3.08Å; A1015-I1018 PolarHBondContact O-N 3.29Å; I1018-Q1020 VanDerWaalsContact C-N 3.34Å; I1018-Q1020 PolarHBondContact O-N 3.16Å; I1018-L1021 PolarHBondContact O-N 3.46Å; I1018-I1022 HydrophobicContact CG2-CD1 3.85Å; I1018-I1022 HydrophobicContact CG2-CG1 4.34Å; I1018-I1022 VanDerWaalsContact O-CG1 3.26Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 3.23Å; I1018-E1037 HydrophobicContact CG2-CB 4.11Å; I1018-E1037 VanDerWaalsContact CG2-O 3.23Å; I1018-E1037 WeakPolarHBondContact CG2-O 3.45Å; I1018-K1040 HydrophobicContact CD1-CB 4.31Å; I1018-L1041 HydrophobicContact CG2-CB 3.9Å; I1018-L1044 HydrophobicContact CD1-CD1 3.4Å; I1018-L1044 VanDerWaalsContact CD1-CD1 3.4Å |
| 1019 | V | 87.6 | Confident | 83.8 | Confident | 21 Ų | 21 | 21.5 Ų | 21.5 | 13% | 0.127 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 112.3 | A1015 K1016 I1022 N1023 L1041 I1101 F1107 | A1015-V1019 VanDerWaalsContact O-CG2 3.25Å; A1015-V1019 WeakPolarHBondContact O-CG2 3.35Å; A1015-V1019 PolarHBondContact O-N 3.41Å; K1016-V1019 PolarHBondContact O-N 3.26Å; V1019-I1022 PolarHBondContact O-N 3.02Å; V1019-N1023 PolarHBondContact O-N 3.31Å; V1019-N1023 PolarHBondContact O-ND2 3.15Å; V1019-L1041 HydrophobicContact CG2-CD2 4.14Å; V1019-I1101 HydrophobicContact CG2-CG2 4.31Å; V1019-F1107 HydrophobicContact CG1-CE2 4.27Å; V1019-F1107 HydrophobicContact CG1-CZ 3.87Å; V1019-F1107 HydrophobicContact CG2-CE2 4.02Å; V1019-F1107 HydrophobicContact CG2-CZ 4.45Å |
| 1020 | Q | 85.8 | Confident | 83.9 | Confident | 52 Ų | 52 | 22.9 Ų | 22.9 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.9 | -76.3 | -172.9 | -7.3 | 0 | 0 | 112 | L911 K1016 S1017 I1018 N1023 L1024 | L911-Q1020 PolarHBondContact O-NE2 2.91Å; K1016-Q1020 PolarHBondContact O-N 2.97Å; S1017-Q1020 PolarHBondContact O-N 2.92Å; I1018-Q1020 VanDerWaalsContact C-N 3.34Å; I1018-Q1020 PolarHBondContact O-N 3.16Å; Q1020-N1023 PolarHBondContact O-N 2.84Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.41Å; Q1020-L1024 PolarHBondContact O-N 2.94Å |
| 1021 | L | 87.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.6 | -72.7 | 172.1 | 0 | 0 | 0 | 111.7 | I962 C965 I969 S1017 I1018 N1023 L1024 Y1025 E1037 | I962-L1021 HydrophobicContact CG1-CD2 4.33Å; C965-L1021 HydrophobicContact CB-CD1 4.1Å; C965-L1021 HydrophobicContact CB-CD2 3.77Å; C965-L1021 HydrophobicContact CB-CG 3.78Å; I969-L1021 HydrophobicContact CD1-CD1 4.08Å; S1017-L1021 PolarHBondContact O-N 3.42Å; I1018-L1021 PolarHBondContact O-N 3.46Å; L1021-N1023 PolarHBondContact O-N 3Å; L1021-L1024 WeakPolarHBondContact O-CB 3.4Å; L1021-L1024 PolarHBondContact O-N 3.08Å; L1021-Y1025 HydrophobicContact CB-CD2 4.32Å; L1021-Y1025 HydrophobicContact CB-CE2 4.07Å; L1021-Y1025 HydrophobicContact CD2-CE2 4.39Å; L1021-Y1025 WeakPolarHBondContact O-CB 3.43Å; L1021-Y1025 WeakPolarHBondContact O-CD2 3.28Å; L1021-Y1025 PolarHBondContact O-N 3.2Å; L1021-E1037 HydrophobicContact CB-CG 4.17Å |
| 1022 | I | 86.8 | Confident | 84 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.6 | -68.4 | 165.9 | 0 | 0 | 0 | 110.4 | I1018 V1019 L1024 Y1025 M1026 E1037 I1038 L1041 F1107 | I1018-I1022 HydrophobicContact CG2-CD1 3.85Å; I1018-I1022 HydrophobicContact CG2-CG1 4.34Å; I1018-I1022 VanDerWaalsContact O-CG1 3.26Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 3.23Å; V1019-I1022 PolarHBondContact O-N 3.02Å; I1022-L1024 VanDerWaalsContact C-N 3.33Å; I1022-L1024 PolarHBondContact O-N 3.36Å; I1022-Y1025 PolarHBondContact O-N 2.9Å; I1022-M1026 HydrophobicContact CG2-CE 4.14Å; I1022-M1026 HydrophobicContact CG2-CG 4.45Å; I1022-M1026 HydrophobicContact CG2-SD 4.41Å; I1022-M1026 WeakPolarHBondContact O-CB 3.37Å; I1022-M1026 WeakPolarHBondContact O-CG 3.35Å; I1022-M1026 PolarHBondContact O-N 3.4Å; I1022-E1037 HydrophobicContact CD1-CB 4.34Å; I1022-E1037 HydrophobicContact CG1-CB 3.63Å; I1022-I1038 HydrophobicContact CD1-CB 4.49Å; I1022-I1038 HydrophobicContact CD1-CG1 3.77Å; I1022-I1038 HydrophobicContact CG1-CG1 4.01Å; I1022-I1038 HydrophobicContact CG2-CD1 4.45Å; I1022-I1038 HydrophobicContact CG2-CG1 4.13Å; I1022-L1041 HydrophobicContact CD1-CD2 4.1Å; I1022-F1107 HydrophobicContact CD1-CD2 4.08Å; I1022-F1107 HydrophobicContact CD1-CE2 4.39Å; I1022-F1107 HydrophobicContact CG2-CB 4.11Å; I1022-F1107 HydrophobicContact CG2-CD1 3.62Å; I1022-F1107 HydrophobicContact CG2-CD2 4.24Å; I1022-F1107 HydrophobicContact CG2-CE1 4.04Å; I1022-F1107 HydrophobicContact CG2-CG 3.75Å |
| 1023 | N | 84.8 | Confident | 84.1 | Confident | 58 Ų | 58 | 31.8 Ų | 31.8 | 31% | 0.31 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.7 | -71.4 | -31.5 | 0 | 0 | 0 | 112.4 | V1019 Q1020 L1021 M1026 Y1027 | V1019-N1023 PolarHBondContact O-N 3.31Å; V1019-N1023 PolarHBondContact O-ND2 3.15Å; Q1020-N1023 PolarHBondContact O-N 2.84Å; L1021-N1023 PolarHBondContact O-N 3Å; N1023-M1026 WeakPolarHBondContact OD1-CE 3.33Å; N1023-Y1027 VanDerWaalsContact O-CB 3.26Å; N1023-Y1027 WeakPolarHBondContact O-CB 3.34Å; N1023-Y1027 PolarHBondContact O-N 3.23Å |
| 1024 | L | 84.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 175.4 | -174.4 | 71.7 | 0 | 0 | 0 | 111.8 | F918 L958 I961 I962 Q1020 L1021 I1022 Y1027 T1028 | F918-L1024 HydrophobicContact CD2-CD1 3.64Å; F918-L1024 HydrophobicContact CE2-CD1 3.79Å; L958-L1024 HydrophobicContact CD2-CD1 3.77Å; L958-L1024 HydrophobicContact CD2-CG 4.47Å; I961-L1024 HydrophobicContact CB-CD2 4.29Å; I961-L1024 HydrophobicContact CD1-CD1 4.36Å; I961-L1024 HydrophobicContact CG2-CD1 4.4Å; I961-L1024 HydrophobicContact CG2-CD2 3.82Å; I962-L1024 HydrophobicContact CD1-CD2 4.31Å; I962-L1024 HydrophobicContact CG1-CD2 3.64Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.41Å; Q1020-L1024 PolarHBondContact O-N 2.94Å; L1021-L1024 WeakPolarHBondContact O-CB 3.4Å; L1021-L1024 PolarHBondContact O-N 3.08Å; I1022-L1024 VanDerWaalsContact C-N 3.33Å; I1022-L1024 PolarHBondContact O-N 3.36Å; L1024-Y1027 PolarHBondContact O-N 2.96Å; L1024-T1028 WeakPolarHBondContact O-CB 3.26Å; L1024-T1028 WeakPolarHBondContact O-CG2 3.11Å; L1024-T1028 PolarHBondContact O-N 2.97Å; L1024-T1028 PolarHBondContact O-OG1 3.48Å |
| 1025 | Y | 85.1 | Confident | 84.2 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.9 | -36.7 | 178.2 | -69 | -47.3 | 0 | 0 | 0 | 112.2 | I962 L1021 I1022 T1028 M1029 D1030 N1033 E1037 | I962-Y1025 HydrophobicContact CD1-CE1 4.31Å; L1021-Y1025 HydrophobicContact CB-CD2 4.32Å; L1021-Y1025 HydrophobicContact CB-CE2 4.07Å; L1021-Y1025 HydrophobicContact CD2-CE2 4.39Å; L1021-Y1025 WeakPolarHBondContact O-CB 3.43Å; L1021-Y1025 WeakPolarHBondContact O-CD2 3.28Å; L1021-Y1025 PolarHBondContact O-N 3.2Å; I1022-Y1025 PolarHBondContact O-N 2.9Å; Y1025-T1028 WeakPolarHBondContact CA-OG1 3.43Å; Y1025-T1028 PolarHBondContact O-N 3.33Å; Y1025-T1028 PolarHBondContact O-OG1 3.2Å; Y1025-M1029 PolarHBondContact O-N 3.07Å; Y1025-D1030 HydrophobicContact CD1-CB 3.97Å; Y1025-D1030 PolarHBondContact O-N 3Å; Y1025-N1033 HydrophobicContact CD1-CB 3.82Å; Y1025-N1033 HydrophobicContact CD2-CB 3.86Å; Y1025-N1033 HydrophobicContact CE1-CB 3.67Å; Y1025-N1033 HydrophobicContact CE2-CB 3.72Å; Y1025-N1033 HydrophobicContact CG-CB 3.93Å; Y1025-E1037 HydrophobicContact CD2-CG 4.09Å; Y1025-E1037 HydrophobicContact CE2-CG 3.8Å |
| 1026 | M | 80.7 | Confident | 84.3 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 169.9 | -72.4 | -167.9 | -56.6 | 0 | 0 | 111.9 | I1022 N1023 M1029 F1107 | I1022-M1026 HydrophobicContact CG2-CE 4.14Å; I1022-M1026 HydrophobicContact CG2-CG 4.45Å; I1022-M1026 HydrophobicContact CG2-SD 4.41Å; I1022-M1026 WeakPolarHBondContact O-CB 3.37Å; I1022-M1026 WeakPolarHBondContact O-CG 3.35Å; I1022-M1026 PolarHBondContact O-N 3.4Å; N1023-M1026 WeakPolarHBondContact OD1-CE 3.33Å; M1026-M1029 PolarHBondContact O-N 3.45Å; M1026-F1107 HydrophobicContact CE-CD1 3.89Å; M1026-F1107 HydrophobicContact CE-CE1 3.97Å; M1026-F1107 HydrophobicContact SD-CD1 4.34Å |
| 1027 | Y | 76.8 | Confident | 84.4 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.6 | 180 | -102.1 | 0 | 0 | 0 | 112.8 | F918 I921 Q922 G926 D927 F929 N1023 L1024 | F918-Y1027 AromaticContact CE2-CD1 3.94Å; F918-Y1027 HydrophobicContact CE2-CD1 3.94Å; F918-Y1027 AromaticContact CE2-CG 3.99Å; F918-Y1027 HydrophobicContact CE2-CG 3.99Å; F918-Y1027 HydrophobicContact CZ-CD2 4.44Å; F918-Y1027 HydrophobicContact CZ-CG 4.16Å; I921-Y1027 HydrophobicContact CG2-CE1 3.79Å; Q922-Y1027 HydrophobicContact CG-CE2 4.27Å; G926-Y1027 PolarHBondContact O-OH 3.27Å; D927-Y1027 VanDerWaalsContact C-CE2 3.45Å; D927-Y1027 WeakPolarHBondContact O-CD2 3.46Å; D927-Y1027 VanDerWaalsContact O-CE2 3.24Å; D927-Y1027 WeakPolarHBondContact O-CE2 3.42Å; F929-Y1027 HydrophobicContact CB-CD1 3.76Å; F929-Y1027 HydrophobicContact CB-CE1 3.14Å; F929-Y1027 HydrophobicContact CB-CE2 4.49Å; F929-Y1027 HydrophobicContact CG-CE1 4.15Å; F929-Y1027 PolarHBondContact N-O 3.3Å; N1023-Y1027 VanDerWaalsContact O-CB 3.26Å; N1023-Y1027 WeakPolarHBondContact O-CB 3.34Å; N1023-Y1027 PolarHBondContact O-N 3.23Å; L1024-Y1027 PolarHBondContact O-N 2.96Å |
| 1028 | T | 74.4 | Confident | 84.4 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.3 | 177.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | F929 P931 L958 L1024 Y1025 D1030 | F929-T1028 HydrophobicContact CD1-CG2 4.4Å; F929-T1028 WeakPolarHBondContact O-CA 3.49Å; P931-T1028 WeakPolarHBondContact CD-O 3.14Å; P931-T1028 HydrophobicContact CG-CG2 4.36Å; P931-T1028 WeakPolarHBondContact CG-O 3.43Å; L958-T1028 HydrophobicContact CD1-CG2 4.24Å; L958-T1028 HydrophobicContact CD2-CG2 3.72Å; L1024-T1028 WeakPolarHBondContact O-CB 3.26Å; L1024-T1028 WeakPolarHBondContact O-CG2 3.11Å; L1024-T1028 PolarHBondContact O-N 2.97Å; L1024-T1028 PolarHBondContact O-OG1 3.48Å; Y1025-T1028 WeakPolarHBondContact CA-OG1 3.43Å; Y1025-T1028 PolarHBondContact O-N 3.33Å; Y1025-T1028 PolarHBondContact O-OG1 3.2Å; T1028-D1030 PolarHBondContact O-N 3.06Å |
| 1029 | M | 74.1 | Confident | 84.4 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 26.9 | -176.7 | -53.1 | -66.7 | -174.2 | 0 | 0 | 114.2 | Y928 Y1025 M1026 Y1031 | Y928-M1029 HydrophobicContact CD1-CE 4.2Å; Y1025-M1029 PolarHBondContact O-N 3.07Å; M1026-M1029 PolarHBondContact O-N 3.45Å; M1029-Y1031 HydrophobicContact CB-CE1 4.32Å; M1029-Y1031 PolarHBondContact O-N 3.43Å; M1029-Y1031 HydrophobicContact SD-CE1 3.97Å; M1029-Y1031 PolarHBondContact SD-OH 3.35Å |
| 1030 | D | 81.8 | Confident | 84.4 | Confident | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | trans | -89.9 | 78.7 | 173.9 | -170.8 | -9.6 | 0 | 0 | 0 | 110.5 | Y1025 T1028 V1032 N1033 C1034 | Y1025-D1030 HydrophobicContact CD1-CB 3.97Å; Y1025-D1030 PolarHBondContact O-N 3Å; T1028-D1030 PolarHBondContact O-N 3.06Å; D1030-V1032 VanDerWaalsContact C-N 3.25Å; D1030-V1032 PolarHBondContact O-N 2.65Å; D1030-N1033 PolarHBondContact OD1-N 3.26Å; D1030-N1033 PolarHBondContact OD2-ND2 3.32Å; D1030-C1034 WeakPolarHBondContact O-CB 3.46Å; D1030-C1034 PolarHBondContact O-N 2.88Å; D1030-C1034 VanDerWaalsContact O-N 3.1Å | ||
| 1031 | Y | 82.8 | Confident | 84.4 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67 | -23.5 | -173.2 | -54.2 | -48.2 | 0 | 0 | 0 | 114 | M1029 E1035 L1111 V1114 | M1029-Y1031 HydrophobicContact CB-CE1 4.32Å; M1029-Y1031 PolarHBondContact O-N 3.43Å; M1029-Y1031 HydrophobicContact SD-CE1 3.97Å; M1029-Y1031 PolarHBondContact SD-OH 3.35Å; Y1031-E1035 WeakPolarHBondContact O-CB 3.01Å; Y1031-E1035 PolarHBondContact O-N 3.29Å; Y1031-E1035 VanDerWaalsContact O-N 3.09Å; Y1031-L1111 HydrophobicContact CD1-CD1 3.71Å; Y1031-L1111 HydrophobicContact CG-CD1 4.17Å; Y1031-V1114 HydrophobicContact CE1-CG1 3.59Å; Y1031-V1114 VanDerWaalsContact OH-CG1 3.31Å; Y1031-V1114 WeakPolarHBondContact OH-CG1 3.26Å |
| 1032 | V | 84.9 | Confident | 84.3 | Confident | 96 Ų | 96 | 41.9 Ų | 41.9 | 58% | 0.582 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -73.6 | -49.2 | -177.9 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | D1030 C1034 E1035 Q1036 | D1030-V1032 VanDerWaalsContact C-N 3.25Å; D1030-V1032 PolarHBondContact O-N 2.65Å; V1032-C1034 VanDerWaalsContact C-N 3.34Å; V1032-E1035 PolarHBondContact O-N 2.77Å; V1032-Q1036 PolarHBondContact O-N 3.09Å |
| 1033 | N | 85.7 | Confident | 84.1 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.1 | -35.4 | 176.9 | -72 | -32.3 | 0 | 0 | 0 | 111.6 | Y1025 D1030 E1035 Q1036 E1037 | Y1025-N1033 HydrophobicContact CD1-CB 3.82Å; Y1025-N1033 HydrophobicContact CD2-CB 3.86Å; Y1025-N1033 HydrophobicContact CE1-CB 3.67Å; Y1025-N1033 HydrophobicContact CE2-CB 3.72Å; Y1025-N1033 HydrophobicContact CG-CB 3.93Å; D1030-N1033 PolarHBondContact OD1-N 3.26Å; D1030-N1033 PolarHBondContact OD2-ND2 3.32Å; N1033-E1035 VanDerWaalsContact C-N 3.32Å; N1033-E1035 PolarHBondContact O-N 2.96Å; N1033-Q1036 PolarHBondContact O-N 3.36Å; N1033-E1037 WeakPolarHBondContact O-CG 3.36Å; N1033-E1037 PolarHBondContact O-N 3.33Å |
| 1034 | C | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56 | -46 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 112 | D1030 V1032 E1037 I1038 L1111 | D1030-C1034 WeakPolarHBondContact O-CB 3.46Å; D1030-C1034 PolarHBondContact O-N 2.88Å; D1030-C1034 VanDerWaalsContact O-N 3.1Å; V1032-C1034 VanDerWaalsContact C-N 3.34Å; C1034-E1037 PolarHBondContact O-N 2.96Å; C1034-I1038 WeakPolarHBondContact O-CD1 3.38Å; C1034-I1038 WeakPolarHBondContact O-CG1 3.32Å; C1034-I1038 PolarHBondContact O-N 3.19Å; C1034-L1111 HydrophobicContact CB-CD1 4.39Å |
| 1035 | E | 88 | Confident | 83.8 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 30% | 0.304 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 180 | -169.8 | 168.8 | 168.2 | 0 | 0 | 112.1 | Y1031 V1032 N1033 I1038 L1039 L1111 K1115 | Y1031-E1035 WeakPolarHBondContact O-CB 3.01Å; Y1031-E1035 PolarHBondContact O-N 3.29Å; Y1031-E1035 VanDerWaalsContact O-N 3.09Å; V1032-E1035 PolarHBondContact O-N 2.77Å; N1033-E1035 VanDerWaalsContact C-N 3.32Å; N1033-E1035 PolarHBondContact O-N 2.96Å; E1035-I1038 PolarHBondContact O-N 3.27Å; E1035-L1039 WeakPolarHBondContact O-CG 3.35Å; E1035-L1039 PolarHBondContact O-N 3.39Å; E1035-L1111 HydrophobicContact CB-CD2 3.95Å; E1035-L1111 HydrophobicContact CG-CD2 4.28Å; E1035-K1115 IonicContact OE2-NZ 2.8Å; E1035-K1115 PolarHBondContact OE2-NZ 3.25Å |
| 1036 | Q | 89.4 | Confident | 83.4 | Confident | 101 Ų | 101 | 48.5 Ų | 48.5 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.1 | -67.6 | -178.7 | 5.8 | 0 | 0 | 112.6 | V1032 N1033 L1039 K1040 | V1032-Q1036 PolarHBondContact O-N 3.09Å; N1033-Q1036 PolarHBondContact O-N 3.36Å; Q1036-L1039 PolarHBondContact O-N 3.08Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.01Å; Q1036-K1040 PolarHBondContact O-N 2.78Å |
| 1037 | E | 88.7 | Confident | 83.1 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -36.1 | 177.9 | -68.8 | -52.6 | 138.2 | 0 | 0 | 112.4 | I1018 L1021 I1022 Y1025 N1033 C1034 L1039 K1040 L1041 | I1018-E1037 HydrophobicContact CG2-CB 4.11Å; I1018-E1037 VanDerWaalsContact CG2-O 3.23Å; I1018-E1037 WeakPolarHBondContact CG2-O 3.45Å; L1021-E1037 HydrophobicContact CB-CG 4.17Å; I1022-E1037 HydrophobicContact CD1-CB 4.34Å; I1022-E1037 HydrophobicContact CG1-CB 3.63Å; Y1025-E1037 HydrophobicContact CD2-CG 4.09Å; Y1025-E1037 HydrophobicContact CE2-CG 3.8Å; N1033-E1037 WeakPolarHBondContact O-CG 3.36Å; N1033-E1037 PolarHBondContact O-N 3.33Å; C1034-E1037 PolarHBondContact O-N 2.96Å; E1037-L1039 VanDerWaalsContact C-N 3.33Å; E1037-L1039 PolarHBondContact O-N 3.39Å; E1037-K1040 PolarHBondContact O-N 3.21Å; E1037-K1040 IonicContact OE1-NZ 2.92Å; E1037-K1040 PolarHBondContact OE1-NZ 3.17Å; E1037-K1040 WeakPolarHBondContact OE2-CD 3.45Å; E1037-K1040 IonicContact OE2-NZ 3.65Å; E1037-L1041 PolarHBondContact O-N 3.27Å |
| 1038 | I | 88 | Confident | 82.9 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 172.7 | -68.9 | 164.3 | 0 | 0 | 0 | 110.6 | I1022 C1034 E1035 L1041 A1042 F1107 M1108 L1111 | I1022-I1038 HydrophobicContact CD1-CB 4.49Å; I1022-I1038 HydrophobicContact CD1-CG1 3.77Å; I1022-I1038 HydrophobicContact CG1-CG1 4.01Å; I1022-I1038 HydrophobicContact CG2-CD1 4.45Å; I1022-I1038 HydrophobicContact CG2-CG1 4.13Å; C1034-I1038 WeakPolarHBondContact O-CD1 3.38Å; C1034-I1038 WeakPolarHBondContact O-CG1 3.32Å; C1034-I1038 PolarHBondContact O-N 3.19Å; E1035-I1038 PolarHBondContact O-N 3.27Å; I1038-L1041 WeakPolarHBondContact O-CB 3.33Å; I1038-L1041 PolarHBondContact O-N 2.88Å; I1038-A1042 PolarHBondContact O-N 2.99Å; I1038-F1107 HydrophobicContact CD1-CB 3.81Å; I1038-F1107 HydrophobicContact CG1-CB 3.8Å; I1038-M1108 HydrophobicContact CG2-CB 4.09Å; I1038-M1108 HydrophobicContact CG2-SD 4.13Å; I1038-L1111 HydrophobicContact CD1-CB 4.28Å; I1038-L1111 HydrophobicContact CD1-CD2 4Å |
| 1039 | L | 88.2 | Confident | 82.7 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.8 | -70 | 170.9 | 0 | 0 | 0 | 112.4 | E1035 Q1036 E1037 A1042 Q1043 | E1035-L1039 WeakPolarHBondContact O-CG 3.35Å; E1035-L1039 PolarHBondContact O-N 3.39Å; Q1036-L1039 PolarHBondContact O-N 3.08Å; E1037-L1039 VanDerWaalsContact C-N 3.33Å; E1037-L1039 PolarHBondContact O-N 3.39Å; L1039-A1042 WeakPolarHBondContact O-CB 3.46Å; L1039-A1042 PolarHBondContact O-N 3.15Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.35Å; L1039-Q1043 PolarHBondContact O-N 3.48Å |
| 1040 | K | 86.9 | Confident | 82.3 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.1 | -70.8 | 173.8 | -172.5 | 170 | 0 | 111.8 | I1018 Q1036 E1037 A1042 Q1043 L1044 | I1018-K1040 HydrophobicContact CD1-CB 4.31Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.01Å; Q1036-K1040 PolarHBondContact O-N 2.78Å; E1037-K1040 PolarHBondContact O-N 3.21Å; E1037-K1040 IonicContact OE1-NZ 2.92Å; E1037-K1040 PolarHBondContact OE1-NZ 3.17Å; E1037-K1040 WeakPolarHBondContact OE2-CD 3.45Å; E1037-K1040 IonicContact OE2-NZ 3.65Å; K1040-A1042 VanDerWaalsContact C-N 3.33Å; K1040-Q1043 PolarHBondContact O-N 3.21Å; K1040-L1044 WeakPolarHBondContact O-CG 3.44Å; K1040-L1044 PolarHBondContact O-N 3.26Å; K1040-L1044 VanDerWaalsContact O-N 3.1Å |
| 1041 | L | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.1 | -174.3 | 62.7 | 0 | 0 | 0 | 111.3 | A1015 I1018 V1019 I1022 E1037 I1038 L1044 Q1045 I1101 F1107 | A1015-L1041 HydrophobicContact CB-CD1 4.02Å; I1018-L1041 HydrophobicContact CG2-CB 3.9Å; V1019-L1041 HydrophobicContact CG2-CD2 4.14Å; I1022-L1041 HydrophobicContact CD1-CD2 4.1Å; E1037-L1041 PolarHBondContact O-N 3.27Å; I1038-L1041 WeakPolarHBondContact O-CB 3.33Å; I1038-L1041 PolarHBondContact O-N 2.88Å; L1041-L1044 PolarHBondContact O-N 2.93Å; L1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; L1041-Q1045 PolarHBondContact O-N 3.03Å; L1041-I1101 HydrophobicContact CD1-CG2 4.33Å; L1041-F1107 HydrophobicContact CD2-CD2 4.12Å; L1041-F1107 HydrophobicContact CD2-CE2 4.21Å |
| 1042 | A | 84.2 | Confident | 80.5 | Confident | 31 Ų | 31 | 49 Ų | 49 | 26% | 0.256 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1038 L1039 K1040 L1044 Q1045 E1046 | I1038-A1042 PolarHBondContact O-N 2.99Å; L1039-A1042 WeakPolarHBondContact O-CB 3.46Å; L1039-A1042 PolarHBondContact O-N 3.15Å; K1040-A1042 VanDerWaalsContact C-N 3.33Å; A1042-L1044 PolarHBondContact O-N 3.49Å; A1042-Q1045 PolarHBondContact O-N 3.36Å; A1042-E1046 WeakPolarHBondContact O-CB 3.24Å; A1042-E1046 PolarHBondContact O-N 3.11Å |
| 1043 | Q | 84 | Confident | 79.4 | Confident | 82 Ų | 82 | 48.2 Ų | 48.2 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.7 | -72.1 | 175.6 | -9.1 | 0 | 0 | 112.5 | L980 L1039 K1040 E1046 I1047 | L980-Q1043 HydrophobicContact CD2-CB 4.29Å; L1039-Q1043 WeakPolarHBondContact O-CG 3.35Å; L1039-Q1043 PolarHBondContact O-N 3.48Å; K1040-Q1043 PolarHBondContact O-N 3.21Å; Q1043-E1046 PolarHBondContact O-N 3.46Å; Q1043-I1047 WeakPolarHBondContact O-CD1 3.5Å; Q1043-I1047 VanDerWaalsContact O-CG1 3.25Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; Q1043-I1047 PolarHBondContact O-N 2.8Å |
| 1044 | L | 81.5 | Confident | 78 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.7 | -74.6 | 172 | 0 | 0 | 0 | 112.1 | L980 Q1014 I1018 K1040 L1041 A1042 I1048 | L980-L1044 HydrophobicContact CD1-CD2 4.39Å; Q1014-L1044 HydrophobicContact CG-CD1 3.91Å; I1018-L1044 HydrophobicContact CD1-CD1 3.4Å; I1018-L1044 VanDerWaalsContact CD1-CD1 3.4Å; K1040-L1044 WeakPolarHBondContact O-CG 3.44Å; K1040-L1044 PolarHBondContact O-N 3.26Å; K1040-L1044 VanDerWaalsContact O-N 3.1Å; L1041-L1044 PolarHBondContact O-N 2.93Å; A1042-L1044 PolarHBondContact O-N 3.49Å; L1044-I1048 VanDerWaalsContact O-CD1 3.31Å; L1044-I1048 WeakPolarHBondContact O-CD1 3.38Å; L1044-I1048 VanDerWaalsContact O-CG1 3.27Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; L1044-I1048 PolarHBondContact O-N 3.27Å |
| 1045 | Q | 80.9 | Confident | 76.6 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.2 | -72.7 | 174.4 | -13.9 | 0 | 0 | 110.8 | L1041 A1042 I1048 E1049 L1094 P1102 S1104 | L1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; L1041-Q1045 PolarHBondContact O-N 3.03Å; A1042-Q1045 PolarHBondContact O-N 3.36Å; Q1045-I1048 PolarHBondContact O-N 3.45Å; Q1045-E1049 WeakPolarHBondContact O-CG 3.42Å; Q1045-E1049 PolarHBondContact O-N 3.03Å; Q1045-E1049 VanDerWaalsContact O-N 3.07Å; Q1045-L1094 HydrophobicContact CG-CD2 4.36Å; Q1045-P1102 PolarHBondContact NE2-O 3.15Å; Q1045-S1104 PolarHBondContact OE1-OG 3.29Å |
| 1046 | E | 77.1 | Confident | 75 | Confident | 122 Ų | 122 | 52.7 Ų | 52.7 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 179.3 | -170.5 | 179 | -173.6 | 0 | 0 | 112.9 | A1042 Q1043 I1048 E1049 M1050 | A1042-E1046 WeakPolarHBondContact O-CB 3.24Å; A1042-E1046 PolarHBondContact O-N 3.11Å; Q1043-E1046 PolarHBondContact O-N 3.46Å; E1046-I1048 VanDerWaalsContact C-N 3.28Å; E1046-I1048 PolarHBondContact O-N 3.07Å; E1046-E1049 PolarHBondContact O-N 3.12Å; E1046-M1050 WeakPolarHBondContact O-CB 3.34Å; E1046-M1050 WeakPolarHBondContact O-CG 3.34Å; E1046-M1050 PolarHBondContact O-N 3.22Å |
| 1047 | I | 74.1 | Confident | 73 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 177.3 | -69.4 | 163.9 | 0 | 0 | 0 | 110.9 | L978 L980 Q1043 M1050 V1051 | L978-I1047 HydrophobicContact CD1-CG2 4Å; L980-I1047 HydrophobicContact CD2-CD1 3.9Å; Q1043-I1047 WeakPolarHBondContact O-CD1 3.5Å; Q1043-I1047 VanDerWaalsContact O-CG1 3.25Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; Q1043-I1047 PolarHBondContact O-N 2.8Å; I1047-M1050 PolarHBondContact O-N 3.03Å; I1047-V1051 HydrophobicContact CG2-CG2 4.37Å; I1047-V1051 VanDerWaalsContact O-CG2 3.3Å; I1047-V1051 WeakPolarHBondContact O-CG2 3.25Å; I1047-V1051 PolarHBondContact O-N 3.17Å |
| 1048 | I | 72.5 | Confident | 71.2 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | -179.8 | -64.4 | 164.2 | 0 | 0 | 0 | 110.9 | I1011 L1044 Q1045 E1046 M1050 F1052 M1098 | I1011-I1048 HydrophobicContact CG2-CD1 3.52Å; I1011-I1048 HydrophobicContact CG2-CG1 4.42Å; L1044-I1048 VanDerWaalsContact O-CD1 3.31Å; L1044-I1048 WeakPolarHBondContact O-CD1 3.38Å; L1044-I1048 VanDerWaalsContact O-CG1 3.27Å; L1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; L1044-I1048 PolarHBondContact O-N 3.27Å; Q1045-I1048 PolarHBondContact O-N 3.45Å; E1046-I1048 VanDerWaalsContact C-N 3.28Å; E1046-I1048 PolarHBondContact O-N 3.07Å; I1048-M1050 VanDerWaalsContact C-N 3.34Å; I1048-F1052 WeakPolarHBondContact O-CB 3.45Å; I1048-F1052 PolarHBondContact O-N 2.69Å; I1048-M1098 HydrophobicContact CD1-CE 3.15Å; I1048-M1098 HydrophobicContact CD1-CG 4.47Å; I1048-M1098 HydrophobicContact CD1-SD 3.94Å |
| 1049 | E | 69.3 | Low | 69.3 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 172.2 | -70.4 | -175.5 | 175.9 | 0 | 0 | 110.6 | Q1045 E1046 F1052 I1053 L1094 R1131 | Q1045-E1049 WeakPolarHBondContact O-CG 3.42Å; Q1045-E1049 PolarHBondContact O-N 3.03Å; Q1045-E1049 VanDerWaalsContact O-N 3.07Å; E1046-E1049 PolarHBondContact O-N 3.12Å; E1049-F1052 PolarHBondContact O-N 3.09Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.48Å; E1049-I1053 PolarHBondContact O-N 2.97Å; E1049-L1094 HydrophobicContact CG-CD1 3.36Å; E1049-L1094 WeakPolarHBondContact OE1-CD1 3.19Å; E1049-R1131 IonicContact OE1-CZ 3.42Å; E1049-R1131 IonicContact OE1-NH1 2.79Å; E1049-R1131 PolarHBondContact OE1-NH1 3.47Å; E1049-R1131 IonicContact OE1-NH2 3.3Å; E1049-R1131 PolarHBondContact OE1-NH2 3.22Å; E1049-R1131 IonicContact OE2-NH2 2.71Å; E1049-R1131 PolarHBondContact OE2-NH2 3.1Å |
| 1050 | M | 67 | Low | 67.3 | Low | 84 Ų | 84 | 61.5 Ų | 61.5 | 41% | 0.414 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | -179.9 | -76.7 | -64.4 | -67.1 | 0 | 0 | 113.9 | E1046 I1047 I1048 F1052 I1053 H1054 | E1046-M1050 WeakPolarHBondContact O-CB 3.34Å; E1046-M1050 WeakPolarHBondContact O-CG 3.34Å; E1046-M1050 PolarHBondContact O-N 3.22Å; I1047-M1050 PolarHBondContact O-N 3.03Å; I1048-M1050 VanDerWaalsContact C-N 3.34Å; M1050-F1052 PolarHBondContact O-N 2.88Å; M1050-I1053 PolarHBondContact O-N 3.23Å; M1050-I1053 HydrophobicContact SD-CD1 4.47Å; M1050-H1054 PolarHBondContact O-N 3.09Å; M1050-H1054 VanDerWaalsContact O-N 3.14Å |
| 1051 | V | 65.1 | Low | 65.3 | Low | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -34.4 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L998 I1001 L1003 I1047 K1055 | L998-V1051 HydrophobicContact CD2-CG2 4.09Å; I1001-V1051 HydrophobicContact CD1-CG2 4.25Å; L1003-V1051 HydrophobicContact CD1-CB 4.4Å; L1003-V1051 HydrophobicContact CD1-CG1 3.58Å; I1047-V1051 HydrophobicContact CG2-CG2 4.37Å; I1047-V1051 VanDerWaalsContact O-CG2 3.3Å; I1047-V1051 WeakPolarHBondContact O-CG2 3.25Å; I1047-V1051 PolarHBondContact O-N 3.17Å; V1051-K1055 PolarHBondContact O-N 2.76Å |
| 1052 | F | 61.4 | Low | 63.3 | Low | 38 Ų | 38 | 69.7 Ų | 69.7 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.7 | -42.9 | 177.9 | -169.9 | -82.1 | 0 | 0 | 0 | 112.9 | I1048 E1049 M1050 H1054 K1055 N1056 L1093 Y1097 | I1048-F1052 WeakPolarHBondContact O-CB 3.45Å; I1048-F1052 PolarHBondContact O-N 2.69Å; E1049-F1052 PolarHBondContact O-N 3.09Å; M1050-F1052 PolarHBondContact O-N 2.88Å; F1052-H1054 PolarHBondContact O-N 2.75Å; F1052-K1055 PolarHBondContact O-N 3.42Å; F1052-K1055 VanDerWaalsContact O-N 3.14Å; F1052-N1056 HydrophobicContact CE1-CB 4.31Å; F1052-N1056 WeakPolarHBondContact CE1-ND2 3.44Å; F1052-N1056 WeakPolarHBondContact CZ-ND2 3.48Å; F1052-N1056 PolarHBondContact O-N 2.98Å; F1052-L1093 HydrophobicContact CB-CD2 4.34Å; F1052-L1093 HydrophobicContact CD1-CD1 4.13Å; F1052-L1093 HydrophobicContact CD1-CD2 2.93Å; F1052-L1093 HydrophobicContact CD1-CG 3.51Å; F1052-L1093 HydrophobicContact CD2-CD2 4.2Å; F1052-L1093 HydrophobicContact CD2-CG 3.91Å; F1052-L1093 HydrophobicContact CE1-CD1 3.32Å; F1052-L1093 HydrophobicContact CE1-CD2 3.02Å; F1052-L1093 HydrophobicContact CE1-CG 3.23Å; F1052-L1093 HydrophobicContact CE2-CD1 3.89Å; F1052-L1093 HydrophobicContact CE2-CD2 4.3Å; F1052-L1093 HydrophobicContact CE2-CG 3.72Å; F1052-L1093 HydrophobicContact CG-CD2 3.57Å; F1052-L1093 HydrophobicContact CG-CG 3.81Å; F1052-L1093 HydrophobicContact CZ-CD1 3.2Å; F1052-L1093 HydrophobicContact CZ-CD2 3.77Å; F1052-L1093 HydrophobicContact CZ-CG 3.38Å; F1052-Y1097 HydrophobicContact CD2-CE2 4.26Å; F1052-Y1097 HydrophobicContact CE2-CE2 4.36Å |
| 1053 | I | 61 | Low | 61.5 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.3 | -40.8 | 175.8 | -67.5 | 165.1 | 0 | 0 | 0 | 110.1 | E1049 M1050 N1056 M1057 | E1049-I1053 WeakPolarHBondContact O-CG1 3.48Å; E1049-I1053 PolarHBondContact O-N 2.97Å; M1050-I1053 PolarHBondContact O-N 3.23Å; M1050-I1053 HydrophobicContact SD-CD1 4.47Å; I1053-N1056 PolarHBondContact O-N 3.03Å; I1053-M1057 HydrophobicContact CG2-CG 4.24Å; I1053-M1057 WeakPolarHBondContact O-CB 3.38Å; I1053-M1057 WeakPolarHBondContact O-CG 3.37Å; I1053-M1057 PolarHBondContact O-N 3.16Å |
| 1054 | H | 56.2 | Low | 59.4 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 177.8 | -161.3 | 55.8 | 0 | 0 | 0 | 113.5 | N999 M1050 F1052 M1057 K1058 | N999-H1054 PolarHBondContact OD1-NE2 2.68Å; M1050-H1054 PolarHBondContact O-N 3.09Å; M1050-H1054 VanDerWaalsContact O-N 3.14Å; F1052-H1054 PolarHBondContact O-N 2.75Å; H1054-M1057 PolarHBondContact O-N 3.42Å; H1054-K1058 PolarHBondContact O-N 2.77Å |
| 1055 | K | 58.3 | Low | 57.5 | Low | 90 Ų | 90 | 78.7 Ų | 78.7 | 39% | 0.391 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.7 | -87.7 | -174.8 | 175.6 | -179.2 | 0 | 111.8 | V1051 F1052 K1058 N1059 | V1051-K1055 PolarHBondContact O-N 2.76Å; F1052-K1055 PolarHBondContact O-N 3.42Å; F1052-K1055 VanDerWaalsContact O-N 3.14Å; K1055-K1058 PolarHBondContact O-N 3.06Å; K1055-N1059 PolarHBondContact O-N 3.02Å |
| 1056 | N | 55.3 | Low | 55.7 | Low | 63 Ų | 63 | 86.9 Ų | 86.9 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 178.8 | -85.3 | 12.8 | 0 | 0 | 0 | 112.8 | F1052 I1053 K1058 N1059 V1060 | F1052-N1056 HydrophobicContact CE1-CB 4.31Å; F1052-N1056 WeakPolarHBondContact CE1-ND2 3.44Å; F1052-N1056 WeakPolarHBondContact CZ-ND2 3.48Å; F1052-N1056 PolarHBondContact O-N 2.98Å; I1053-N1056 PolarHBondContact O-N 3.03Å; N1056-K1058 VanDerWaalsContact C-N 3.32Å; N1056-K1058 PolarHBondContact O-N 3.02Å; N1056-N1059 PolarHBondContact O-N 3.31Å; N1056-N1059 VanDerWaalsContact O-N 3.16Å; N1056-V1060 WeakPolarHBondContact O-CB 3.31Å; N1056-V1060 VanDerWaalsContact O-CG2 3.27Å; N1056-V1060 WeakPolarHBondContact O-CG2 3.26Å; N1056-V1060 PolarHBondContact O-N 3.29Å |
| 1057 | M | 47.6 | Very low | 54.1 | Low | 114 Ų | 114 | 85.7 Ų | 85.7 | 56% | 0.562 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.6 | -34.7 | 175 | -74.6 | -99.2 | -98.9 | 0 | 0 | 112.9 | I1053 H1054 N1061 | I1053-M1057 HydrophobicContact CG2-CG 4.24Å; I1053-M1057 WeakPolarHBondContact O-CB 3.38Å; I1053-M1057 WeakPolarHBondContact O-CG 3.37Å; I1053-M1057 PolarHBondContact O-N 3.16Å; H1054-M1057 PolarHBondContact O-N 3.42Å; M1057-N1061 WeakPolarHBondContact O-CB 3.33Å; M1057-N1061 PolarHBondContact O-N 3.22Å; M1057-N1061 PolarHBondContact O-ND2 2.65Å |
| 1058 | K | 50.7 | Low | 52.5 | Low | 109 Ų | 109 | 91 Ų | 91 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.2 | -33.3 | 173.7 | -80.3 | -176.6 | 179.9 | 174.5 | 0 | 113 | N999 H1054 K1055 N1056 | N999-K1058 PolarHBondContact OD1-NZ 3.23Å; H1054-K1058 PolarHBondContact O-N 2.77Å; K1055-K1058 PolarHBondContact O-N 3.06Å; N1056-K1058 VanDerWaalsContact C-N 3.32Å; N1056-K1058 PolarHBondContact O-N 3.02Å |
| 1059 | N | 47.8 | Very low | 51.2 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.8 | -42.1 | 176.2 | -72.1 | -14.4 | 0 | 0 | 0 | 111.3 | K1055 N1056 N1061 K1062 D1063 | K1055-N1059 PolarHBondContact O-N 3.02Å; N1056-N1059 PolarHBondContact O-N 3.31Å; N1056-N1059 VanDerWaalsContact O-N 3.16Å; N1059-N1061 VanDerWaalsContact C-N 3.34Å; N1059-N1061 PolarHBondContact O-N 3.47Å; N1059-K1062 PolarHBondContact O-N 2.96Å; N1059-K1062 VanDerWaalsContact O-N 3.17Å; N1059-D1063 PolarHBondContact O-N 3.31Å |
| 1060 | V | 46.1 | Very low | 49.8 | Very low | 77 Ų | 77 | 100.3 Ų | 100.3 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -33.5 | 178.9 | 174 | 0 | 0 | 0 | 0 | 112.1 | N1056 K1062 D1063 L1064 | N1056-V1060 WeakPolarHBondContact O-CB 3.31Å; N1056-V1060 VanDerWaalsContact O-CG2 3.27Å; N1056-V1060 WeakPolarHBondContact O-CG2 3.26Å; N1056-V1060 PolarHBondContact O-N 3.29Å; V1060-K1062 VanDerWaalsContact C-N 3.33Å; V1060-K1062 PolarHBondContact O-N 3.4Å; V1060-D1063 PolarHBondContact O-N 3.32Å; V1060-L1064 HydrophobicContact CG1-CD1 3.62Å; V1060-L1064 HydrophobicContact CG1-CG 4.37Å; V1060-L1064 WeakPolarHBondContact O-CB 3.31Å; V1060-L1064 WeakPolarHBondContact O-CD1 2.93Å; V1060-L1064 WeakPolarHBondContact O-CG 3.09Å; V1060-L1064 PolarHBondContact O-N 3.34Å |
| 1061 | N | 44.6 | Very low | 48.3 | Very low | 98 Ų | 98 | 100.8 Ų | 100.8 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.3 | -22.4 | 175 | -85.4 | -29.7 | 0 | 0 | 0 | 114.5 | M1057 N1059 | M1057-N1061 WeakPolarHBondContact O-CB 3.33Å; M1057-N1061 PolarHBondContact O-N 3.22Å; M1057-N1061 PolarHBondContact O-ND2 2.65Å; N1059-N1061 VanDerWaalsContact C-N 3.34Å; N1059-N1061 PolarHBondContact O-N 3.47Å |
| 1062 | K | 45.4 | Very low | 46.8 | Very low | 161 Ų | 161 | 109.2 Ų | 109.2 | 70% | 0.7 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.2 | -38 | 170.8 | -80.8 | -178.3 | 174 | -179.6 | 0 | 111.3 | N1059 V1060 | N1059-K1062 PolarHBondContact O-N 2.96Å; N1059-K1062 VanDerWaalsContact O-N 3.17Å; V1060-K1062 VanDerWaalsContact C-N 3.33Å; V1060-K1062 PolarHBondContact O-N 3.4Å |
| 1063 | D | 44.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.5 | -32.4 | 178.7 | -63.3 | -26 | 0 | 0 | 0 | 112.2 | N1059 V1060 N1065 F1066 V1067 | N1059-D1063 PolarHBondContact O-N 3.31Å; V1060-D1063 PolarHBondContact O-N 3.32Å; D1063-N1065 VanDerWaalsContact C-N 3.3Å; D1063-N1065 PolarHBondContact O-N 3.05Å; D1063-F1066 PolarHBondContact O-N 3.42Å; D1063-F1066 VanDerWaalsContact O-N 3.16Å; D1063-V1067 WeakPolarHBondContact O-CG2 3.49Å; D1063-V1067 PolarHBondContact O-N 3.15Å |
| 1064 | L | 41.2 | Very low | 44.6 | Very low | 84 Ų | 84 | 114.5 Ų | 114.5 | 44% | 0.44 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -25.4 | 176.3 | -89 | 154.9 | 0 | 0 | 0 | 114.5 | V1060 | V1060-L1064 HydrophobicContact CG1-CD1 3.62Å; V1060-L1064 HydrophobicContact CG1-CG 4.37Å; V1060-L1064 WeakPolarHBondContact O-CB 3.31Å; V1060-L1064 WeakPolarHBondContact O-CD1 2.93Å; V1060-L1064 WeakPolarHBondContact O-CG 3.09Å; V1060-L1064 PolarHBondContact O-N 3.34Å |
| 1065 | N | 41.6 | Very low | 43.8 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79 | -20.6 | 175.3 | -81.4 | -21.3 | 0 | 0 | 0 | 112.8 | D1063 | D1063-N1065 VanDerWaalsContact C-N 3.3Å; D1063-N1065 PolarHBondContact O-N 3.05Å |
| 1066 | F | 43 | Very low | 42.9 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 80% | 0.803 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.7 | -23.5 | 174.7 | -124.6 | -92.8 | 0 | 0 | 0 | 112.7 | D1063 | D1063-F1066 PolarHBondContact O-N 3.42Å; D1063-F1066 VanDerWaalsContact O-N 3.16Å |
| 1067 | V | 43 | Very low | 42.1 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 58% | 0.582 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -96.3 | -8.5 | -173 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | D1063 I1069 | D1063-V1067 WeakPolarHBondContact O-CG2 3.49Å; D1063-V1067 PolarHBondContact O-N 3.15Å; V1067-I1069 PolarHBondContact O-N 3.04Å; V1067-I1069 VanDerWaalsContact O-N 3.09Å |
| 1068 | K | 40.6 | Very low | 41.6 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 71% | 0.709 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -4 | 178.1 | -87.7 | 177.8 | 179.2 | 171.3 | 0 | 115.6 | ||
| 1069 | I | 45.7 | Very low | 41.1 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 77% | 0.774 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -11.8 | -176.2 | -66.5 | 176.1 | 0 | 0 | 0 | 113.8 | V1067 | V1067-I1069 PolarHBondContact O-N 3.04Å; V1067-I1069 VanDerWaalsContact O-N 3.09Å |
| 1070 | T | 40.4 | Very low | 40.6 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -121.8 | 83.8 | 179.1 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1071 | S | 33.6 | Very low | 40.3 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | trans | -85.8 | 144.8 | -179.6 | 75.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1072 | K | 34.6 | Very low | 40.1 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 83% | 0.826 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 84.5 | 80.9 | 147.5 | -66.9 | 171.4 | 176.7 | 178.5 | 0 | 118.2 | ||
| 1073 | S | 37.3 | Very low | 40 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | S | Bend | 169 | 89.4 | 129.9 | 41.8 | 0 | 0 | 0 | 0 | 110.4 | |||
| 1074 | L | 38.7 | Very low | 39.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 60% | 0.602 | 66% | 0.656 | S | S | * | * | trans | 177.3 | 37.9 | 166.3 | -99.1 | 151.6 | 0 | 0 | 0 | 113.4 | E1076 | L1074-E1076 PolarHBondContact O-N 3.45Š| ||
| 1075 | K | 38.8 | Very low | 39.9 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -10.9 | -167.1 | -84.4 | -170.7 | 172.2 | -169.7 | 0 | 117.6 | ||
| 1076 | E | 39.4 | Very low | 39.9 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -13.5 | -170.7 | -71.7 | 173.6 | 172.7 | 0 | 0 | 115 | L1074 | L1074-E1076 PolarHBondContact O-N 3.45Š|
| 1077 | K | 39 | Very low | 40 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -13.1 | 176.4 | -75.4 | -174.4 | 174.7 | -178 | 0 | 114.1 | ||
| 1078 | E | 37.4 | Very low | 39.9 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 43% | 0.43 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -87.5 | -17.5 | 178.8 | -69.8 | -176.7 | 171.9 | 0 | 0 | 113.1 | K1082 | E1078-K1082 WeakPolarHBondContact O-CB 3.41Å; E1078-K1082 WeakPolarHBondContact O-CD 3.48Å; E1078-K1082 WeakPolarHBondContact O-CG 3.41Å; E1078-K1082 PolarHBondContact O-N 3.29Å; E1078-K1082 VanDerWaalsContact O-N 3.12Å |
| 1079 | E | 39.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.1 | -41.7 | 179.4 | -75.6 | -178 | 163.7 | 0 | 0 | 112.2 | Q1081 K1082 D1083 | E1079-Q1081 VanDerWaalsContact C-N 3.34Å; E1079-Q1081 PolarHBondContact O-N 3.04Å; E1079-K1082 PolarHBondContact O-N 3.41Å; E1079-D1083 PolarHBondContact O-N 2.99Å |
| 1080 | E | 39.1 | Very low | 39.8 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.3 | -33.8 | 176.4 | -71.4 | -177.6 | 154 | 0 | 0 | 113.1 | Q1084 | E1080-Q1084 PolarHBondContact O-N 3.4Å |
| 1081 | Q | 39.9 | Very low | 40 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.1 | -31.6 | 174.3 | -76 | -174 | -12 | 0 | 0 | 112.3 | E1079 Q1085 | E1079-Q1081 VanDerWaalsContact C-N 3.34Å; E1079-Q1081 PolarHBondContact O-N 3.04Å; Q1081-Q1085 WeakPolarHBondContact O-CB 3.47Å; Q1081-Q1085 PolarHBondContact O-N 3.1Å |
| 1082 | K | 39.2 | Very low | 40.6 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 48% | 0.483 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68 | -39.6 | 175.1 | -82.6 | 171.4 | -175.6 | 168.3 | 0 | 112.1 | E1078 E1079 Q1085 Q1086 | E1078-K1082 WeakPolarHBondContact O-CB 3.41Å; E1078-K1082 WeakPolarHBondContact O-CD 3.48Å; E1078-K1082 WeakPolarHBondContact O-CG 3.41Å; E1078-K1082 PolarHBondContact O-N 3.29Å; E1078-K1082 VanDerWaalsContact O-N 3.12Å; E1079-K1082 PolarHBondContact O-N 3.41Å; K1082-Q1085 PolarHBondContact O-N 2.85Å; K1082-Q1086 WeakPolarHBondContact O-CB 3.44Å; K1082-Q1086 WeakPolarHBondContact O-CG 3.31Å; K1082-Q1086 PolarHBondContact O-N 2.83Å |
| 1083 | D | 43.1 | Very low | 41.3 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.3 | -39.7 | 177.9 | -75 | -15.3 | 0 | 0 | 0 | 111.9 | E1079 Q1086 Q1087 | E1079-D1083 PolarHBondContact O-N 2.99Å; D1083-Q1086 PolarHBondContact O-N 3.49Å; D1083-Q1087 WeakPolarHBondContact O-CB 3.49Å; D1083-Q1087 WeakPolarHBondContact O-CG 3.44Å; D1083-Q1087 PolarHBondContact O-N 3.22Å |
| 1084 | Q | 41.9 | Very low | 42.3 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 175.1 | -76.1 | 175.3 | -6.4 | 0 | 0 | 112.9 | E1080 N1088 | E1080-Q1084 PolarHBondContact O-N 3.4Å; Q1084-N1088 WeakPolarHBondContact O-CB 3.45Å; Q1084-N1088 PolarHBondContact O-N 3.13Å; Q1084-N1088 VanDerWaalsContact O-N 3.12Å |
| 1085 | Q | 41.3 | Very low | 43.1 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72 | -37.7 | 173.5 | -94.3 | 179.8 | -19.4 | 0 | 0 | 112.7 | Q1081 K1082 N1089 | Q1081-Q1085 WeakPolarHBondContact O-CB 3.47Å; Q1081-Q1085 PolarHBondContact O-N 3.1Å; K1082-Q1085 PolarHBondContact O-N 2.85Å; Q1085-N1089 VanDerWaalsContact O-CB 3.28Å; Q1085-N1089 WeakPolarHBondContact O-CB 3.27Å; Q1085-N1089 PolarHBondContact O-N 3.25Å; Q1085-N1089 PolarHBondContact O-ND2 3.21Å; Q1085-N1089 VanDerWaalsContact O-ND2 3.13Å |
| 1086 | Q | 43.1 | Very low | 44.1 | Very low | 126 Ų | 126 | 106.8 Ų | 106.8 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 176.7 | -84.4 | -176 | -9.3 | 0 | 0 | 112 | K1082 D1083 Q1090 | K1082-Q1086 WeakPolarHBondContact O-CB 3.44Å; K1082-Q1086 WeakPolarHBondContact O-CG 3.31Å; K1082-Q1086 PolarHBondContact O-N 2.83Å; D1083-Q1086 PolarHBondContact O-N 3.49Å; Q1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; Q1086-Q1090 PolarHBondContact O-N 3.45Å |
| 1087 | Q | 43.9 | Very low | 45 | Very low | 130 Ų | 130 | 102.7 Ų | 102.7 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.8 | -39.6 | 178.1 | -72 | 177.6 | 2.9 | 0 | 0 | 112.8 | D1083 N1089 Q1090 | D1083-Q1087 WeakPolarHBondContact O-CB 3.49Å; D1083-Q1087 WeakPolarHBondContact O-CG 3.44Å; D1083-Q1087 PolarHBondContact O-N 3.22Å; Q1087-N1089 VanDerWaalsContact C-N 3.34Å; Q1087-N1089 PolarHBondContact O-N 2.91Å; Q1087-Q1090 PolarHBondContact O-N 2.86Å |
| 1088 | N | 41.7 | Very low | 46.3 | Very low | 91 Ų | 91 | 95.2 Ų | 95.2 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -34.9 | 174.4 | -88.9 | -25 | 0 | 0 | 0 | 112.7 | Q1084 K1091 | Q1084-N1088 WeakPolarHBondContact O-CB 3.45Å; Q1084-N1088 PolarHBondContact O-N 3.13Å; Q1084-N1088 VanDerWaalsContact O-N 3.12Å; N1088-K1091 PolarHBondContact O-N 3.35Å |
| 1089 | N | 40.8 | Very low | 47.6 | Very low | 82 Ų | 82 | 93.7 Ų | 93.7 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.9 | -76 | -24.6 | 0 | 0 | 0 | 111.2 | Q1085 Q1087 K1091 I1092 L1093 | Q1085-N1089 VanDerWaalsContact O-CB 3.28Å; Q1085-N1089 WeakPolarHBondContact O-CB 3.27Å; Q1085-N1089 PolarHBondContact O-N 3.25Å; Q1085-N1089 PolarHBondContact O-ND2 3.21Å; Q1085-N1089 VanDerWaalsContact O-ND2 3.13Å; Q1087-N1089 VanDerWaalsContact C-N 3.34Å; Q1087-N1089 PolarHBondContact O-N 2.91Å; N1089-K1091 VanDerWaalsContact C-N 3.27Å; N1089-K1091 PolarHBondContact O-N 3.17Å; N1089-I1092 PolarHBondContact O-N 3.3Å; N1089-L1093 WeakPolarHBondContact O-CD1 3.18Å; N1089-L1093 PolarHBondContact O-N 3.44Å |
| 1090 | Q | 43.2 | Very low | 48.9 | Very low | 110 Ų | 110 | 95.6 Ų | 95.6 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -26.2 | 179.5 | -75.6 | 175.9 | -5.7 | 0 | 0 | 115 | Q1086 Q1087 L1093 | Q1086-Q1090 WeakPolarHBondContact O-CG 3.35Å; Q1086-Q1090 PolarHBondContact O-N 3.45Å; Q1087-Q1090 PolarHBondContact O-N 2.86Å; Q1090-L1093 WeakPolarHBondContact O-CB 3.14Å; Q1090-L1093 PolarHBondContact O-N 3.03Å |
| 1091 | K | 43.7 | Very low | 50.5 | Low | 75 Ų | 75 | 89.9 Ų | 89.9 | 33% | 0.326 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -81.8 | -27.7 | -176.7 | -152.7 | 170.5 | 175 | 174 | 0 | 113.2 | N1088 N1089 L1093 S1095 R1131 N1132 | N1088-K1091 PolarHBondContact O-N 3.35Å; N1089-K1091 VanDerWaalsContact C-N 3.27Å; N1089-K1091 PolarHBondContact O-N 3.17Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-S1095 PolarHBondContact O-OG 3Å; K1091-S1095 VanDerWaalsContact O-OG 3.09Å; K1091-R1131 VanDerWaalsContact CD-O 3.3Å; K1091-R1131 WeakPolarHBondContact CD-O 3.28Å; K1091-R1131 WeakPolarHBondContact CE-O 3.24Å; K1091-R1131 PolarHBondContact NZ-O 3.27Å; K1091-N1132 PolarHBondContact NZ-OD1 3.1Å |
| 1092 | I | 46.9 | Very low | 52.1 | Low | 104 Ų | 104 | 85.6 Ų | 85.6 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.6 | -28.7 | 171 | -62.1 | 166.7 | 0 | 0 | 0 | 109.7 | N1089 S1095 T1096 | N1089-I1092 PolarHBondContact O-N 3.3Å; I1092-S1095 PolarHBondContact O-OG 2.85Å; I1092-T1096 VanDerWaalsContact O-CB 3.32Å; I1092-T1096 WeakPolarHBondContact O-CB 3.39Å; I1092-T1096 PolarHBondContact O-N 3.43Å; I1092-T1096 PolarHBondContact O-OG1 2.82Å |
| 1093 | L | 50.6 | Low | 53.9 | Low | 33 Ų | 33 | 82.2 Ų | 82.2 | 17% | 0.173 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -69.3 | -51.9 | -168.3 | -101.8 | 52.8 | 0 | 0 | 0 | 115.2 | F1052 N1089 Q1090 K1091 Y1097 | F1052-L1093 HydrophobicContact CB-CD2 4.34Å; F1052-L1093 HydrophobicContact CD1-CD1 4.13Å; F1052-L1093 HydrophobicContact CD1-CD2 2.93Å; F1052-L1093 HydrophobicContact CD1-CG 3.51Å; F1052-L1093 HydrophobicContact CD2-CD2 4.2Å; F1052-L1093 HydrophobicContact CD2-CG 3.91Å; F1052-L1093 HydrophobicContact CE1-CD1 3.32Å; F1052-L1093 HydrophobicContact CE1-CD2 3.02Å; F1052-L1093 HydrophobicContact CE1-CG 3.23Å; F1052-L1093 HydrophobicContact CE2-CD1 3.89Å; F1052-L1093 HydrophobicContact CE2-CD2 4.3Å; F1052-L1093 HydrophobicContact CE2-CG 3.72Å; F1052-L1093 HydrophobicContact CG-CD2 3.57Å; F1052-L1093 HydrophobicContact CG-CG 3.81Å; F1052-L1093 HydrophobicContact CZ-CD1 3.2Å; F1052-L1093 HydrophobicContact CZ-CD2 3.77Å; F1052-L1093 HydrophobicContact CZ-CG 3.38Å; N1089-L1093 WeakPolarHBondContact O-CD1 3.18Å; N1089-L1093 PolarHBondContact O-N 3.44Å; Q1090-L1093 WeakPolarHBondContact O-CB 3.14Å; Q1090-L1093 PolarHBondContact O-N 3.03Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; L1093-Y1097 WeakPolarHBondContact O-CD2 3.26Å |
| 1094 | L | 56.8 | Low | 55.8 | Low | 31 Ų | 31 | 78.4 Ų | 78.4 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.8 | -37.8 | -175.3 | -120.5 | 102.1 | 0 | 0 | 0 | 112.5 | Q1045 E1049 T1096 Y1097 M1098 | Q1045-L1094 HydrophobicContact CG-CD2 4.36Å; E1049-L1094 HydrophobicContact CG-CD1 3.36Å; E1049-L1094 WeakPolarHBondContact OE1-CD1 3.19Å; L1094-T1096 PolarHBondContact O-N 3.41Å; L1094-Y1097 PolarHBondContact O-N 2.96Å; L1094-M1098 PolarHBondContact O-N 3.29Å |
| 1095 | S | 56 | Low | 57.8 | Low | 73 Ų | 73 | 74.3 Ų | 74.3 | 51% | 0.51 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -28 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | K1091 I1092 | K1091-S1095 PolarHBondContact O-OG 3Å; K1091-S1095 VanDerWaalsContact O-OG 3.09Å; I1092-S1095 PolarHBondContact O-OG 2.85Å |
| 1096 | T | 58.8 | Low | 59.9 | Low | 86 Ų | 86 | 68.7 Ų | 68.7 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | I1092 L1094 | I1092-T1096 VanDerWaalsContact O-CB 3.32Å; I1092-T1096 WeakPolarHBondContact O-CB 3.39Å; I1092-T1096 PolarHBondContact O-N 3.43Å; I1092-T1096 PolarHBondContact O-OG1 2.82Å; L1094-T1096 PolarHBondContact O-N 3.41Å |
| 1097 | Y | 60.2 | Low | 62 | Low | 88 Ų | 88 | 62.9 Ų | 62.9 | 35% | 0.345 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -106.1 | -26 | -172.5 | -72 | -65 | 0 | 0 | 0 | 114.4 | L1008 F1052 L1093 L1094 P1099 | L1008-Y1097 HydrophobicContact CD1-CD1 3.18Å; L1008-Y1097 HydrophobicContact CD1-CE1 3.88Å; L1008-Y1097 HydrophobicContact CD1-CG 3.89Å; L1008-Y1097 HydrophobicContact CD2-CD1 3.69Å; L1008-Y1097 HydrophobicContact CG-CD1 4.01Å; F1052-Y1097 HydrophobicContact CD2-CE2 4.26Å; F1052-Y1097 HydrophobicContact CE2-CE2 4.36Å; L1093-Y1097 WeakPolarHBondContact O-CD2 3.26Å; L1094-Y1097 PolarHBondContact O-N 2.96Å; Y1097-P1099 VanDerWaalsContact C-CD 3.49Å |
| 1098 | M | 65.3 | Low | 64.1 | Low | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -126.4 | 68.7 | 176.2 | -78.3 | -167.8 | 166.6 | 0 | 0 | 111.1 | I1011 A1015 I1048 L1094 N1100 I1101 | I1011-M1098 HydrophobicContact CG2-CE 3.27Å; A1015-M1098 HydrophobicContact CB-CE 3.77Å; A1015-M1098 HydrophobicContact CB-SD 4.31Å; I1048-M1098 HydrophobicContact CD1-CE 3.15Å; I1048-M1098 HydrophobicContact CD1-CG 4.47Å; I1048-M1098 HydrophobicContact CD1-SD 3.94Å; L1094-M1098 PolarHBondContact O-N 3.29Å; M1098-N1100 PolarHBondContact O-N 3.5Å; M1098-I1101 HydrophobicContact CB-CB 4.35Å; M1098-I1101 HydrophobicContact CB-CD1 3.75Å; M1098-I1101 HydrophobicContact CE-CD1 4.46Å; M1098-I1101 HydrophobicContact CG-CD1 3.77Å; M1098-I1101 HydrophobicContact SD-CD1 3.9Å |
| 1099 | P | 63.9 | Low | 66.3 | Low | 61 Ų | 61 | 53.6 Ų | 53.6 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 135.3 | 177.7 | 26.5 | -34.1 | 0 | 0 | 0 | 110.6 | Y1097 I1101 | Y1097-P1099 VanDerWaalsContact C-CD 3.49Å; P1099-I1101 VanDerWaalsContact C-N 3.29Å; P1099-I1101 PolarHBondContact O-N 3.3Å |
| 1100 | N | 67.6 | Low | 68.4 | Low | 168 Ų | 168 | 53.3 Ų | 53.3 | 90% | 0.898 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 11.4 | 175.8 | -52.9 | -24.2 | 0 | 0 | 0 | 116.8 | M1098 | M1098-N1100 PolarHBondContact O-N 3.5Š|
| 1101 | I | 72.4 | Confident | 70.5 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 120.7 | 171.9 | -66.5 | 158.2 | 0 | 0 | 0 | 108.8 | N1012 A1015 K1016 V1019 L1041 M1098 P1099 | N1012-I1101 VanDerWaalsContact OD1-CD1 3.23Å; N1012-I1101 WeakPolarHBondContact OD1-CD1 3.46Å; A1015-I1101 HydrophobicContact CB-CD1 3.42Å; A1015-I1101 VanDerWaalsContact CB-CD1 3.42Å; A1015-I1101 HydrophobicContact CB-CG1 4.22Å; A1015-I1101 HydrophobicContact CB-CG2 4.23Å; K1016-I1101 HydrophobicContact CG-CG1 4.48Å; V1019-I1101 HydrophobicContact CG2-CG2 4.31Å; L1041-I1101 HydrophobicContact CD1-CG2 4.33Å; M1098-I1101 HydrophobicContact CB-CB 4.35Å; M1098-I1101 HydrophobicContact CB-CD1 3.75Å; M1098-I1101 HydrophobicContact CE-CD1 4.46Å; M1098-I1101 HydrophobicContact CG-CD1 3.77Å; M1098-I1101 HydrophobicContact SD-CD1 3.9Å; P1099-I1101 VanDerWaalsContact C-N 3.29Å; P1099-I1101 PolarHBondContact O-N 3.3Å |
| 1102 | P | 72.9 | Confident | 72.6 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 29% | 0.286 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 150 | 176.5 | 27.1 | -34.5 | 0 | 0 | 0 | 111.9 | Q1045 I1106 F1107 | Q1045-P1102 PolarHBondContact NE2-O 3.15Å; P1102-I1106 HydrophobicContact CB-CD1 4.36Å; P1102-F1107 HydrophobicContact CB-CE2 4.23Å; P1102-F1107 HydrophobicContact CB-CZ 4.43Å; P1102-F1107 HydrophobicContact CG-CD2 4.42Å; P1102-F1107 HydrophobicContact CG-CE2 3.39Å; P1102-F1107 HydrophobicContact CG-CZ 3.49Å; P1102-F1107 VanDerWaalsContact CG-CZ 3.49Å |
| 1103 | L | 78.5 | Confident | 74.4 | Confident | 39 Ų | 39 | 41 Ų | 41 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 135.8 | 173.3 | -76.5 | 149.2 | 0 | 0 | 0 | 109.8 | E1105 I1106 V1128 | L1103-E1105 HydrophobicContact CB-CB 4.43Å; L1103-E1105 PolarHBondContact O-N 3.28Å; L1103-I1106 HydrophobicContact CB-CD1 4.16Å; L1103-I1106 HydrophobicContact CB-CG1 4.22Å; L1103-I1106 WeakPolarHBondContact O-CB 3.4Å; L1103-I1106 PolarHBondContact O-N 3.11Å; L1103-V1128 HydrophobicContact CD1-CG1 4.4Å; L1103-V1128 HydrophobicContact CD1-CG2 4.46Å |
| 1104 | S | 83.2 | Confident | 75.9 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.2 | -36.4 | 176.5 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | Q1045 I1106 F1107 M1108 | Q1045-S1104 PolarHBondContact OE1-OG 3.29Å; S1104-I1106 VanDerWaalsContact C-N 3.26Å; S1104-I1106 PolarHBondContact O-N 3.19Å; S1104-F1107 PolarHBondContact O-N 3.44Å; S1104-F1107 VanDerWaalsContact O-N 3.07Å; S1104-M1108 PolarHBondContact O-N 2.85Å |
| 1105 | E | 83.8 | Confident | 77 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.6 | -35.5 | 172.9 | -64.5 | -72.2 | 131.6 | 0 | 0 | 113.9 | L1103 M1108 S1109 H1124 Y1127 V1128 | L1103-E1105 HydrophobicContact CB-CB 4.43Å; L1103-E1105 PolarHBondContact O-N 3.28Å; E1105-M1108 PolarHBondContact O-N 3.34Å; E1105-S1109 WeakPolarHBondContact O-CB 3.4Å; E1105-S1109 PolarHBondContact O-N 3.41Å; E1105-H1124 IonicContact OE1-ND1 2.82Å; E1105-H1124 IonicContact OE2-CE1 3.55Å; E1105-H1124 IonicContact OE2-CG 3.85Å; E1105-H1124 IonicContact OE2-ND1 3.91Å; E1105-H1124 PolarHBondContact OE2-ND1 3.22Å; E1105-Y1127 HydrophobicContact CB-CD1 4.48Å; E1105-Y1127 HydrophobicContact CG-CD1 3.75Å; E1105-Y1127 HydrophobicContact CG-CE1 4.03Å; E1105-V1128 HydrophobicContact CB-CG2 3.67Å |
| 1106 | I | 85 | Confident | 78.2 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 177.2 | -63.1 | 168.3 | 0 | 0 | 0 | 109.8 | P1102 L1103 S1104 S1109 R1110 V1128 H1135 | P1102-I1106 HydrophobicContact CB-CD1 4.36Å; L1103-I1106 HydrophobicContact CB-CD1 4.16Å; L1103-I1106 HydrophobicContact CB-CG1 4.22Å; L1103-I1106 WeakPolarHBondContact O-CB 3.4Å; L1103-I1106 PolarHBondContact O-N 3.11Å; S1104-I1106 VanDerWaalsContact C-N 3.26Å; S1104-I1106 PolarHBondContact O-N 3.19Å; I1106-S1109 PolarHBondContact O-N 3.07Å; I1106-S1109 PolarHBondContact O-OG 2.95Å; I1106-R1110 WeakPolarHBondContact O-CG 3.32Å; I1106-R1110 PolarHBondContact O-N 3.36Å; I1106-V1128 HydrophobicContact CD1-CG1 4.33Å; I1106-V1128 HydrophobicContact CG1-CG1 4.12Å; I1106-V1128 HydrophobicContact CG1-CG2 3.86Å; I1106-H1135 WeakPolarHBondContact CD1-NE2 3.43Å |
| 1107 | F | 86.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 176.4 | -69.1 | -61.4 | 0 | 0 | 0 | 112.2 | V1019 I1022 M1026 I1038 L1041 P1102 S1104 S1109 R1110 L1111 | V1019-F1107 HydrophobicContact CG1-CE2 4.27Å; V1019-F1107 HydrophobicContact CG1-CZ 3.87Å; V1019-F1107 HydrophobicContact CG2-CE2 4.02Å; V1019-F1107 HydrophobicContact CG2-CZ 4.45Å; I1022-F1107 HydrophobicContact CD1-CD2 4.08Å; I1022-F1107 HydrophobicContact CD1-CE2 4.39Å; I1022-F1107 HydrophobicContact CG2-CB 4.11Å; I1022-F1107 HydrophobicContact CG2-CD1 3.62Å; I1022-F1107 HydrophobicContact CG2-CD2 4.24Å; I1022-F1107 HydrophobicContact CG2-CE1 4.04Å; I1022-F1107 HydrophobicContact CG2-CG 3.75Å; M1026-F1107 HydrophobicContact CE-CD1 3.89Å; M1026-F1107 HydrophobicContact CE-CE1 3.97Å; M1026-F1107 HydrophobicContact SD-CD1 4.34Å; I1038-F1107 HydrophobicContact CD1-CB 3.81Å; I1038-F1107 HydrophobicContact CG1-CB 3.8Å; L1041-F1107 HydrophobicContact CD2-CD2 4.12Å; L1041-F1107 HydrophobicContact CD2-CE2 4.21Å; P1102-F1107 HydrophobicContact CB-CE2 4.23Å; P1102-F1107 HydrophobicContact CB-CZ 4.43Å; P1102-F1107 HydrophobicContact CG-CD2 4.42Å; P1102-F1107 HydrophobicContact CG-CE2 3.39Å; P1102-F1107 HydrophobicContact CG-CZ 3.49Å; P1102-F1107 VanDerWaalsContact CG-CZ 3.49Å; S1104-F1107 PolarHBondContact O-N 3.44Å; S1104-F1107 VanDerWaalsContact O-N 3.07Å; F1107-S1109 VanDerWaalsContact C-N 3.31Å; F1107-S1109 PolarHBondContact O-N 2.94Å; F1107-R1110 PolarHBondContact O-N 3.34Å; F1107-L1111 WeakPolarHBondContact O-CB 2.96Å; F1107-L1111 PolarHBondContact O-N 2.88Å |
| 1108 | M | 88.5 | Confident | 80.8 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.7 | -161.6 | 58.6 | 163.2 | 0 | 0 | 110.6 | I1038 S1104 E1105 R1110 L1111 M1112 H1124 | I1038-M1108 HydrophobicContact CG2-CB 4.09Å; I1038-M1108 HydrophobicContact CG2-SD 4.13Å; S1104-M1108 PolarHBondContact O-N 2.85Å; E1105-M1108 PolarHBondContact O-N 3.34Å; M1108-R1110 PolarHBondContact O-N 2.89Å; M1108-L1111 PolarHBondContact O-N 2.58Å; M1108-L1111 HydrophobicContact SD-CD2 4.21Å; M1108-M1112 HydrophobicContact CE-CE 3.34Å; M1108-M1112 HydrophobicContact CG-CE 4.48Å; M1108-M1112 WeakPolarHBondContact O-CB 3.44Å; M1108-M1112 WeakPolarHBondContact O-CG 3.5Å; M1108-M1112 PolarHBondContact O-N 3.42Å; M1108-M1112 HydrophobicContact SD-CE 3.99Å; M1108-H1124 VanDerWaalsContact CG-NE2 3.27Å; M1108-H1124 WeakPolarHBondContact CG-NE2 3.24Å |
| 1109 | S | 87.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.7 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | E1105 I1106 F1107 M1112 I1113 | E1105-S1109 WeakPolarHBondContact O-CB 3.4Å; E1105-S1109 PolarHBondContact O-N 3.41Å; I1106-S1109 PolarHBondContact O-N 3.07Å; I1106-S1109 PolarHBondContact O-OG 2.95Å; F1107-S1109 VanDerWaalsContact C-N 3.31Å; F1107-S1109 PolarHBondContact O-N 2.94Å; S1109-M1112 PolarHBondContact O-N 2.89Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.13Å; S1109-I1113 PolarHBondContact O-N 3.2Å |
| 1110 | R | 85.7 | Confident | 83.1 | Confident | 76 Ų | 76 | 43 Ų | 43 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.8 | -72.4 | 178.5 | 178.9 | 171.6 | 2.7 | 111.9 | I1106 F1107 M1108 M1112 I1113 V1114 E1137 | I1106-R1110 WeakPolarHBondContact O-CG 3.32Å; I1106-R1110 PolarHBondContact O-N 3.36Å; F1107-R1110 PolarHBondContact O-N 3.34Å; M1108-R1110 PolarHBondContact O-N 2.89Å; R1110-M1112 VanDerWaalsContact C-N 3.31Å; R1110-M1112 PolarHBondContact O-N 2.58Å; R1110-I1113 PolarHBondContact O-N 3.42Å; R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.16Å; R1110-V1114 PolarHBondContact O-N 3.23Å; R1110-E1137 IonicContact CZ-OE1 3.16Å; R1110-E1137 IonicContact NE-OE1 3.95Å; R1110-E1137 IonicContact NH2-OE1 2.68Å; R1110-E1137 PolarHBondContact NH2-OE1 3.26Å; R1110-E1137 IonicContact NH2-OE2 3.99Å; R1110-E1137 PolarHBondContact NH2-OE2 3.03Å |
| 1111 | L | 86.4 | Confident | 84 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.9 | -178.4 | 67.2 | 0 | 0 | 0 | 110.8 | Y1031 C1034 E1035 I1038 F1107 M1108 V1114 K1115 | Y1031-L1111 HydrophobicContact CD1-CD1 3.71Å; Y1031-L1111 HydrophobicContact CG-CD1 4.17Å; C1034-L1111 HydrophobicContact CB-CD1 4.39Å; E1035-L1111 HydrophobicContact CB-CD2 3.95Å; E1035-L1111 HydrophobicContact CG-CD2 4.28Å; I1038-L1111 HydrophobicContact CD1-CB 4.28Å; I1038-L1111 HydrophobicContact CD1-CD2 4Å; F1107-L1111 WeakPolarHBondContact O-CB 2.96Å; F1107-L1111 PolarHBondContact O-N 2.88Å; M1108-L1111 PolarHBondContact O-N 2.58Å; M1108-L1111 HydrophobicContact SD-CD2 4.21Å; L1111-V1114 PolarHBondContact O-N 3.19Å; L1111-K1115 HydrophobicContact CG-CD 4.38Å; L1111-K1115 WeakPolarHBondContact O-CB 3.3Å; L1111-K1115 WeakPolarHBondContact O-CG 3.3Å; L1111-K1115 PolarHBondContact O-N 3.37Å |
| 1112 | M | 87.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | 178.4 | -66.5 | -60.1 | 174.4 | 0 | 0 | 112.3 | M1108 S1109 R1110 V1114 K1115 G1116 D1117 I1120 A1121 | M1108-M1112 HydrophobicContact CE-CE 3.34Å; M1108-M1112 HydrophobicContact CG-CE 4.48Å; M1108-M1112 WeakPolarHBondContact O-CB 3.44Å; M1108-M1112 WeakPolarHBondContact O-CG 3.5Å; M1108-M1112 PolarHBondContact O-N 3.42Å; M1108-M1112 HydrophobicContact SD-CE 3.99Å; S1109-M1112 PolarHBondContact O-N 2.89Å; R1110-M1112 VanDerWaalsContact C-N 3.31Å; R1110-M1112 PolarHBondContact O-N 2.58Å; M1112-V1114 VanDerWaalsContact C-N 3.34Å; M1112-V1114 PolarHBondContact O-N 2.94Å; M1112-K1115 CarbonylContact O-C 3.23Å; M1112-K1115 PolarHBondContact O-N 2.88Å; M1112-K1115 HydrophobicContact SD-CD 4.46Å; M1112-G1116 PolarHBondContact O-N 2.87Å; M1112-D1117 PolarHBondContact O-N 3.08Å; M1112-D1117 HydrophobicContact SD-CB 4.41Å; M1112-I1120 HydrophobicContact CE-CG2 4.11Å; M1112-I1120 HydrophobicContact CG-CB 4.22Å; M1112-I1120 HydrophobicContact CG-CG2 3.86Å; M1112-I1120 HydrophobicContact SD-CB 4.37Å; M1112-I1120 HydrophobicContact SD-CG2 4.14Å; M1112-A1121 HydrophobicContact CB-CB 3.9Å |
| 1113 | I | 85.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 171.9 | -70.9 | 166.1 | 0 | 0 | 0 | 110.9 | S1109 R1110 G1116 A1121 T1145 F1348 | S1109-I1113 WeakPolarHBondContact O-CG1 3.13Å; S1109-I1113 PolarHBondContact O-N 3.2Å; R1110-I1113 PolarHBondContact O-N 3.42Å; I1113-G1116 PolarHBondContact O-N 3.43Å; I1113-G1116 VanDerWaalsContact O-N 3.12Å; I1113-A1121 HydrophobicContact CG1-CB 3.78Å; I1113-T1145 HydrophobicContact CD1-CG2 3.75Å; I1113-T1145 HydrophobicContact CG1-CG2 3.64Å; I1113-F1348 HydrophobicContact CG2-CD1 4.02Å; I1113-F1348 HydrophobicContact CG2-CD2 3.37Å; I1113-F1348 HydrophobicContact CG2-CE1 3.97Å; I1113-F1348 HydrophobicContact CG2-CE2 3.3Å; I1113-F1348 HydrophobicContact CG2-CG 3.74Å; I1113-F1348 HydrophobicContact CG2-CZ 3.62Å |
| 1114 | V | 81.3 | Confident | 86.1 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 30% | 0.297 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.6 | -38.8 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | Y1031 R1110 L1111 M1112 G1116 | Y1031-V1114 HydrophobicContact CE1-CG1 3.59Å; Y1031-V1114 VanDerWaalsContact OH-CG1 3.31Å; Y1031-V1114 WeakPolarHBondContact OH-CG1 3.26Å; R1110-V1114 VanDerWaalsContact O-CG2 3.32Å; R1110-V1114 WeakPolarHBondContact O-CG2 3.16Å; R1110-V1114 PolarHBondContact O-N 3.23Å; L1111-V1114 PolarHBondContact O-N 3.19Å; M1112-V1114 VanDerWaalsContact C-N 3.34Å; M1112-V1114 PolarHBondContact O-N 2.94Å; V1114-G1116 PolarHBondContact O-N 3.38Å |
| 1115 | K | 81.8 | Confident | 86.3 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.6 | -14.2 | 172.6 | -72.8 | -177.5 | 180 | -180 | 0 | 113 | E1035 L1111 M1112 | E1035-K1115 IonicContact OE2-NZ 2.8Å; E1035-K1115 PolarHBondContact OE2-NZ 3.25Å; L1111-K1115 HydrophobicContact CG-CD 4.38Å; L1111-K1115 WeakPolarHBondContact O-CB 3.3Å; L1111-K1115 WeakPolarHBondContact O-CG 3.3Å; L1111-K1115 PolarHBondContact O-N 3.37Å; M1112-K1115 CarbonylContact O-C 3.23Å; M1112-K1115 PolarHBondContact O-N 2.88Å; M1112-K1115 HydrophobicContact SD-CD 4.46Å |
| 1116 | G | 79.9 | Confident | 86.5 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 12.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1112 I1113 V1114 F1118 | M1112-G1116 PolarHBondContact O-N 2.87Å; I1113-G1116 PolarHBondContact O-N 3.43Å; I1113-G1116 VanDerWaalsContact O-N 3.12Å; V1114-G1116 PolarHBondContact O-N 3.38Å; G1116-F1118 PolarHBondContact O-N 3.45Å |
| 1117 | D | 86.6 | Confident | 86.5 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | trans | -93.4 | 79.2 | 176.3 | -162.6 | -24.7 | 0 | 0 | 0 | 110.6 | M1112 E1119 I1120 A1121 | M1112-D1117 PolarHBondContact O-N 3.08Å; M1112-D1117 HydrophobicContact SD-CB 4.41Å; D1117-E1119 VanDerWaalsContact C-N 3.27Å; D1117-E1119 PolarHBondContact O-N 2.71Å; D1117-E1119 PolarHBondContact OD1-N 3.41Å; D1117-I1120 PolarHBondContact OD1-N 2.99Å; D1117-I1120 WeakPolarHBondContact OD2-CD1 3.22Å; D1117-A1121 WeakPolarHBondContact O-CB 3.46Å; D1117-A1121 PolarHBondContact O-N 3.46Å; D1117-A1121 VanDerWaalsContact O-N 3.17Å | ||
| 1118 | F | 87.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.8 | -25.1 | -176 | -51.1 | -59.5 | 0 | 0 | 0 | 112.9 | G1116 N1122 T1145 R1148 C1149 W1346 | G1116-F1118 PolarHBondContact O-N 3.45Å; F1118-N1122 WeakPolarHBondContact O-CB 3.48Å; F1118-N1122 PolarHBondContact O-N 3.18Å; F1118-N1122 PolarHBondContact O-ND2 3.47Å; F1118-N1122 VanDerWaalsContact O-ND2 3.12Å; F1118-N1122 PolarHBondContact O-OD1 3.37Å; F1118-T1145 HydrophobicContact CD1-CG2 4.31Å; F1118-R1148 HydrophobicContact CD1-CB 4.41Å; F1118-R1148 HydrophobicContact CD2-CB 3.97Å; F1118-R1148 VanDerWaalsContact CE1-CD 3.46Å; F1118-R1148 HydrophobicContact CE2-CB 4.07Å; F1118-R1148 HydrophobicContact CG-CB 4.15Å; F1118-R1148 HydrophobicContact CZ-CB 4.35Å; F1118-R1148 HydrophobicContact CZ-CG 4.47Å; F1118-C1149 WeakPolarHBondContact CB-SG 3.31Å; F1118-W1346 HydrophobicContact CE1-CH2 4.12Å; F1118-W1346 AromaticContact CZ-CH2 3.7Å; F1118-W1346 HydrophobicContact CZ-CH2 3.7Å; F1118-W1346 AromaticContact CZ-CZ2 3.92Å; F1118-W1346 HydrophobicContact CZ-CZ2 3.92Å |
| 1119 | E | 88.1 | Confident | 86.1 | Confident | 126 Ų | 126 | 41.7 Ų | 41.7 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -71.8 | -42.6 | -178.6 | -68.1 | -177.2 | -172.6 | 0 | 0 | 111.6 | D1117 N1122 K1123 | D1117-E1119 VanDerWaalsContact C-N 3.27Å; D1117-E1119 PolarHBondContact O-N 2.71Å; D1117-E1119 PolarHBondContact OD1-N 3.41Å; E1119-N1122 PolarHBondContact O-N 3.08Å; E1119-K1123 PolarHBondContact O-N 2.93Å |
| 1120 | I | 88.9 | Confident | 85.9 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 173.4 | -59.1 | -178.9 | 0 | 0 | 0 | 110.2 | M1112 D1117 N1122 K1123 H1124 | M1112-I1120 HydrophobicContact CE-CG2 4.11Å; M1112-I1120 HydrophobicContact CG-CB 4.22Å; M1112-I1120 HydrophobicContact CG-CG2 3.86Å; M1112-I1120 HydrophobicContact SD-CB 4.37Å; M1112-I1120 HydrophobicContact SD-CG2 4.14Å; D1117-I1120 PolarHBondContact OD1-N 2.99Å; D1117-I1120 WeakPolarHBondContact OD2-CD1 3.22Å; I1120-N1122 VanDerWaalsContact C-N 3.26Å; I1120-N1122 PolarHBondContact O-N 3.01Å; I1120-K1123 PolarHBondContact O-N 3.48Å; I1120-K1123 VanDerWaalsContact O-N 3.14Å; I1120-H1124 PolarHBondContact O-CD2 3.06Å; I1120-H1124 PolarHBondContact O-N 3.17Å |
| 1121 | A | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1112 I1113 D1117 K1123 H1124 L1125 T1145 | M1112-A1121 HydrophobicContact CB-CB 3.9Å; I1113-A1121 HydrophobicContact CG1-CB 3.78Å; D1117-A1121 WeakPolarHBondContact O-CB 3.46Å; D1117-A1121 PolarHBondContact O-N 3.46Å; D1117-A1121 VanDerWaalsContact O-N 3.17Å; A1121-K1123 PolarHBondContact O-N 3.47Å; A1121-H1124 PolarHBondContact O-N 3.25Å; A1121-L1125 WeakPolarHBondContact O-CB 3.46Å; A1121-L1125 VanDerWaalsContact O-CG 3.3Å; A1121-L1125 WeakPolarHBondContact O-CG 3.43Å; A1121-L1125 PolarHBondContact O-N 3.37Å; A1121-T1145 HydrophobicContact CB-CG2 4.46Å |
| 1122 | N | 89.1 | Confident | 84.8 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.6 | -71.6 | -21.3 | 0 | 0 | 0 | 112.1 | F1118 E1119 I1120 H1124 L1125 E1126 T1145 Y1146 C1149 | F1118-N1122 WeakPolarHBondContact O-CB 3.48Å; F1118-N1122 PolarHBondContact O-N 3.18Å; F1118-N1122 PolarHBondContact O-ND2 3.47Å; F1118-N1122 VanDerWaalsContact O-ND2 3.12Å; F1118-N1122 PolarHBondContact O-OD1 3.37Å; E1119-N1122 PolarHBondContact O-N 3.08Å; I1120-N1122 VanDerWaalsContact C-N 3.26Å; I1120-N1122 PolarHBondContact O-N 3.01Å; N1122-H1124 VanDerWaalsContact C-N 3.34Å; N1122-H1124 PolarHBondContact O-N 3.48Å; N1122-L1125 PolarHBondContact O-N 2.84Å; N1122-E1126 VanDerWaalsContact O-CB 3.31Å; N1122-E1126 WeakPolarHBondContact O-CB 3.33Å; N1122-E1126 WeakPolarHBondContact O-CG 3.34Å; N1122-E1126 PolarHBondContact O-N 3.01Å; N1122-T1145 WeakPolarHBondContact OD1-CB 3.12Å; N1122-T1145 PolarHBondContact OD1-OG1 3.48Å; N1122-Y1146 HydrophobicContact CB-CE1 3.96Å; N1122-Y1146 WeakPolarHBondContact OD1-CD1 3.35Å; N1122-C1149 PolarHBondContact ND2-SG 3.06Å; N1122-C1149 VanDerWaalsContact ND2-SG 3.4Å |
| 1123 | K | 89.3 | Confident | 84.4 | Confident | 146 Ų | 146 | 49.5 Ų | 49.5 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.6 | -44 | 179.1 | -67.4 | 178 | -178 | 175.9 | 0 | 112.2 | E1119 I1120 A1121 Y1127 | E1119-K1123 PolarHBondContact O-N 2.93Å; I1120-K1123 PolarHBondContact O-N 3.48Å; I1120-K1123 VanDerWaalsContact O-N 3.14Å; A1121-K1123 PolarHBondContact O-N 3.47Å; K1123-Y1127 WeakPolarHBondContact O-CB 3.5Å; K1123-Y1127 PolarHBondContact O-N 3.21Å |
| 1124 | H | 88.5 | Confident | 84.2 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 15% | 0.148 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.1 | -67.1 | -62.6 | 0 | 0 | 0 | 111.8 | E1105 M1108 I1120 A1121 N1122 Y1127 V1128 | E1105-H1124 IonicContact OE1-ND1 2.82Å; E1105-H1124 IonicContact OE2-CE1 3.55Å; E1105-H1124 IonicContact OE2-CG 3.85Å; E1105-H1124 IonicContact OE2-ND1 3.91Å; E1105-H1124 PolarHBondContact OE2-ND1 3.22Å; M1108-H1124 VanDerWaalsContact CG-NE2 3.27Å; M1108-H1124 WeakPolarHBondContact CG-NE2 3.24Å; I1120-H1124 PolarHBondContact O-CD2 3.06Å; I1120-H1124 PolarHBondContact O-N 3.17Å; A1121-H1124 PolarHBondContact O-N 3.25Å; N1122-H1124 VanDerWaalsContact C-N 3.34Å; N1122-H1124 PolarHBondContact O-N 3.48Å; H1124-Y1127 WeakPolarHBondContact O-CB 3.41Å; H1124-Y1127 PolarHBondContact O-N 3.38Å; H1124-V1128 VanDerWaalsContact O-CG2 3.32Å; H1124-V1128 WeakPolarHBondContact O-CG2 2.95Å; H1124-V1128 PolarHBondContact O-N 3.18Å |
| 1125 | L | 88 | Confident | 84.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.1 | -70.6 | 168.1 | 0 | 0 | 0 | 112.4 | A1121 N1122 Y1127 V1128 L1129 A1138 L1142 T1145 | A1121-L1125 WeakPolarHBondContact O-CB 3.46Å; A1121-L1125 VanDerWaalsContact O-CG 3.3Å; A1121-L1125 WeakPolarHBondContact O-CG 3.43Å; A1121-L1125 PolarHBondContact O-N 3.37Å; N1122-L1125 PolarHBondContact O-N 2.84Å; L1125-Y1127 VanDerWaalsContact C-N 3.33Å; L1125-Y1127 PolarHBondContact O-N 3.24Å; L1125-V1128 PolarHBondContact O-N 3.4Å; L1125-L1129 WeakPolarHBondContact O-CB 3.49Å; L1125-L1129 VanDerWaalsContact O-CG 3.32Å; L1125-L1129 WeakPolarHBondContact O-CG 3.25Å; L1125-L1129 PolarHBondContact O-N 3.39Å; L1125-A1138 HydrophobicContact CD2-CB 3.79Å; L1125-L1142 HydrophobicContact CB-CB 4.47Å; L1125-L1142 HydrophobicContact CB-CD1 3.78Å; L1125-L1142 HydrophobicContact CD1-CB 4.35Å; L1125-L1142 HydrophobicContact CD1-CD1 4.25Å; L1125-T1145 HydrophobicContact CD1-CG2 4.25Å |
| 1126 | E | 87.6 | Confident | 84.5 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.7 | -74 | 171.9 | -170.7 | 0 | 0 | 110.5 | N1122 V1128 L1129 H1130 L1142 Y1146 Y1158 | N1122-E1126 VanDerWaalsContact O-CB 3.31Å; N1122-E1126 WeakPolarHBondContact O-CB 3.33Å; N1122-E1126 WeakPolarHBondContact O-CG 3.34Å; N1122-E1126 PolarHBondContact O-N 3.01Å; E1126-V1128 PolarHBondContact O-N 3.37Å; E1126-L1129 PolarHBondContact O-N 3.37Å; E1126-H1130 WeakPolarHBondContact O-CB 3.28Å; E1126-H1130 PolarHBondContact O-CD2 3.38Å; E1126-H1130 PolarHBondContact O-N 2.89Å; E1126-L1142 HydrophobicContact CG-CD1 4.34Å; E1126-Y1146 PolarHBondContact OE1-OH 2.78Å; E1126-Y1158 WeakPolarHBondContact CG-OH 3.19Å |
| 1127 | Y | 85.6 | Confident | 84.7 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 175.4 | -175.2 | -96.3 | 0 | 0 | 0 | 112.5 | E1105 K1123 H1124 L1125 L1129 H1130 R1131 | E1105-Y1127 HydrophobicContact CB-CD1 4.48Å; E1105-Y1127 HydrophobicContact CG-CD1 3.75Å; E1105-Y1127 HydrophobicContact CG-CE1 4.03Å; K1123-Y1127 WeakPolarHBondContact O-CB 3.5Å; K1123-Y1127 PolarHBondContact O-N 3.21Å; H1124-Y1127 WeakPolarHBondContact O-CB 3.41Å; H1124-Y1127 PolarHBondContact O-N 3.38Å; L1125-Y1127 VanDerWaalsContact C-N 3.33Å; L1125-Y1127 PolarHBondContact O-N 3.24Å; Y1127-L1129 PolarHBondContact O-N 2.79Å; Y1127-H1130 PolarHBondContact O-N 3.09Å; Y1127-R1131 HydrophobicContact CE1-CG 4.49Å; Y1127-R1131 VanDerWaalsContact CE1-NE 3.25Å; Y1127-R1131 VanDerWaalsContact CZ-NE 3.34Å; Y1127-R1131 PolarHBondContact O-N 2.97Å; Y1127-R1131 VanDerWaalsContact O-N 3.12Å; Y1127-R1131 VanDerWaalsContact OH-CZ 3.26Å; Y1127-R1131 PolarHBondContact OH-NE 3.47Å; Y1127-R1131 VanDerWaalsContact OH-NE 3.16Å; Y1127-R1131 PolarHBondContact OH-NH2 3.43Å |
| 1128 | V | 82.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L1103 E1105 I1106 H1124 L1125 E1126 R1131 N1132 A1138 | L1103-V1128 HydrophobicContact CD1-CG1 4.4Å; L1103-V1128 HydrophobicContact CD1-CG2 4.46Å; E1105-V1128 HydrophobicContact CB-CG2 3.67Å; I1106-V1128 HydrophobicContact CD1-CG1 4.33Å; I1106-V1128 HydrophobicContact CG1-CG1 4.12Å; I1106-V1128 HydrophobicContact CG1-CG2 3.86Å; H1124-V1128 VanDerWaalsContact O-CG2 3.32Å; H1124-V1128 WeakPolarHBondContact O-CG2 2.95Å; H1124-V1128 PolarHBondContact O-N 3.18Å; L1125-V1128 PolarHBondContact O-N 3.4Å; E1126-V1128 PolarHBondContact O-N 3.37Å; V1128-R1131 PolarHBondContact O-N 3.3Å; V1128-N1132 PolarHBondContact O-N 3.47Å; V1128-A1138 HydrophobicContact CG1-CB 4.01Å |
| 1129 | L | 83.5 | Confident | 84.7 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -74.3 | -28.6 | -179.6 | -70.3 | 166.6 | 0 | 0 | 0 | 113 | L1125 E1126 Y1127 N1132 P1133 A1138 L1139 L1142 Y1158 | L1125-L1129 WeakPolarHBondContact O-CB 3.49Å; L1125-L1129 VanDerWaalsContact O-CG 3.32Å; L1125-L1129 WeakPolarHBondContact O-CG 3.25Å; L1125-L1129 PolarHBondContact O-N 3.39Å; E1126-L1129 PolarHBondContact O-N 3.37Å; Y1127-L1129 PolarHBondContact O-N 2.79Å; L1129-N1132 CarbonylContact O-C 3.55Å; L1129-N1132 VanDerWaalsContact O-C 3.27Å; L1129-P1133 WeakPolarHBondContact O-CA 3.16Å; L1129-P1133 WeakPolarHBondContact O-CD 3.41Å; L1129-P1133 WeakPolarHBondContact O-CG 3.38Å; L1129-P1133 VanDerWaalsContact O-N 3.07Å; L1129-A1138 HydrophobicContact CD2-CB 4.32Å; L1129-A1138 HydrophobicContact CG-CB 4.38Å; L1129-L1139 HydrophobicContact CD1-CD1 4.11Å; L1129-L1139 HydrophobicContact CD2-CB 3.96Å; L1129-L1139 HydrophobicContact CD2-CD1 4.39Å; L1129-L1142 HydrophobicContact CD1-CB 4.04Å; L1129-L1142 HydrophobicContact CD1-CD2 3.48Å; L1129-L1142 VanDerWaalsContact CD1-CD2 3.48Å; L1129-L1142 HydrophobicContact CD1-CG 4.25Å; L1129-Y1158 HydrophobicContact CB-CD1 4.49Å; L1129-Y1158 HydrophobicContact CD1-CD1 4.49Å |
| 1130 | H | 83.1 | Confident | 84.7 | Confident | 121 Ų | 121 | 42.4 Ų | 42.4 | 56% | 0.56 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.5 | -42.1 | 169.3 | -81.6 | -62.7 | 0 | 0 | 0 | 111.4 | E1126 Y1127 | E1126-H1130 WeakPolarHBondContact O-CB 3.28Å; E1126-H1130 PolarHBondContact O-CD2 3.38Å; E1126-H1130 PolarHBondContact O-N 2.89Å; Y1127-H1130 PolarHBondContact O-N 3.09Å |
| 1131 | R | 71.9 | Confident | 84.7 | Confident | 74 Ų | 74 | 41 Ų | 41 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.5 | -45.6 | 173.2 | -72.6 | -174.5 | 171.7 | -145 | 0.2 | 111.4 | E1049 K1091 Y1127 V1128 | E1049-R1131 IonicContact OE1-CZ 3.42Å; E1049-R1131 IonicContact OE1-NH1 2.79Å; E1049-R1131 PolarHBondContact OE1-NH1 3.47Å; E1049-R1131 IonicContact OE1-NH2 3.3Å; E1049-R1131 PolarHBondContact OE1-NH2 3.22Å; E1049-R1131 IonicContact OE2-NH2 2.71Å; E1049-R1131 PolarHBondContact OE2-NH2 3.1Å; K1091-R1131 VanDerWaalsContact CD-O 3.3Å; K1091-R1131 WeakPolarHBondContact CD-O 3.28Å; K1091-R1131 WeakPolarHBondContact CE-O 3.24Å; K1091-R1131 PolarHBondContact NZ-O 3.27Å; Y1127-R1131 HydrophobicContact CE1-CG 4.49Å; Y1127-R1131 VanDerWaalsContact CE1-NE 3.25Å; Y1127-R1131 VanDerWaalsContact CZ-NE 3.34Å; Y1127-R1131 PolarHBondContact O-N 2.97Å; Y1127-R1131 VanDerWaalsContact O-N 3.12Å; Y1127-R1131 VanDerWaalsContact OH-CZ 3.26Å; Y1127-R1131 PolarHBondContact OH-NE 3.47Å; Y1127-R1131 VanDerWaalsContact OH-NE 3.16Å; Y1127-R1131 PolarHBondContact OH-NH2 3.43Å; V1128-R1131 PolarHBondContact O-N 3.3Å |
| 1132 | N | 75.8 | Confident | 84.8 | Confident | 56 Ų | 56 | 41 Ų | 41 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | trans | -136.2 | 92.3 | -178.6 | -166.2 | 17.8 | 0 | 0 | 0 | 114.1 | K1091 V1128 L1129 C1134 H1135 | K1091-N1132 PolarHBondContact NZ-OD1 3.1Å; V1128-N1132 PolarHBondContact O-N 3.47Å; L1129-N1132 CarbonylContact O-C 3.55Å; L1129-N1132 VanDerWaalsContact O-C 3.27Å; N1132-C1134 PolarHBondContact O-N 3.07Å; N1132-C1134 VanDerWaalsContact O-N 3.16Å; N1132-C1134 PolarHBondContact OD1-N 3.26Å; N1132-H1135 HydrophobicContact CB-CB 4.34Å; N1132-H1135 WeakPolarHBondContact O-CB 3.4Å; N1132-H1135 PolarHBondContact O-N 2.85Å; N1132-H1135 VanDerWaalsContact O-N 3.14Å | ||
| 1133 | P | 81.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.071 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.1 | 178.5 | -26.6 | 35.7 | 0 | 0 | 0 | 114.4 | L1129 H1135 A1162 Y1165 | L1129-P1133 WeakPolarHBondContact O-CA 3.16Å; L1129-P1133 WeakPolarHBondContact O-CD 3.41Å; L1129-P1133 WeakPolarHBondContact O-CG 3.38Å; L1129-P1133 VanDerWaalsContact O-N 3.07Å; P1133-H1135 VanDerWaalsContact C-N 3.3Å; P1133-H1135 PolarHBondContact O-N 3.04Å; P1133-A1162 WeakPolarHBondContact O-CB 3.4Å; P1133-Y1165 HydrophobicContact CB-CD2 4.1Å; P1133-Y1165 HydrophobicContact CB-CG 4.25Å; P1133-Y1165 HydrophobicContact CG-CD1 4.44Å; P1133-Y1165 HydrophobicContact CG-CD2 3.8Å; P1133-Y1165 HydrophobicContact CG-CE1 4.49Å; P1133-Y1165 HydrophobicContact CG-CE2 3.85Å; P1133-Y1165 HydrophobicContact CG-CG 4.09Å |
| 1134 | C | 80.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 34.6 Ų | 34.6 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 11.9 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | N1132 Y1136 Y1165 | N1132-C1134 PolarHBondContact O-N 3.07Å; N1132-C1134 VanDerWaalsContact O-N 3.16Å; N1132-C1134 PolarHBondContact OD1-N 3.26Å; C1134-Y1136 WeakPolarHBondContact O-CD2 3.41Å; C1134-Y1136 PolarHBondContact O-N 3.11Å; C1134-Y1136 VanDerWaalsContact O-N 3.08Å; C1134-Y1165 VanDerWaalsContact SG-CB 3.58Å |
| 1135 | H | 83.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 33 Ų | 33 | 22% | 0.222 | 16% | 0.159 | C | C | . | . | trans | -82.2 | 84 | 175.4 | -166 | 50.1 | 0 | 0 | 0 | 110.8 | I1106 N1132 P1133 E1137 A1138 L1139 | I1106-H1135 WeakPolarHBondContact CD1-NE2 3.43Å; N1132-H1135 HydrophobicContact CB-CB 4.34Å; N1132-H1135 WeakPolarHBondContact O-CB 3.4Å; N1132-H1135 PolarHBondContact O-N 2.85Å; N1132-H1135 VanDerWaalsContact O-N 3.14Å; P1133-H1135 VanDerWaalsContact C-N 3.3Å; P1133-H1135 PolarHBondContact O-N 3.04Å; H1135-E1137 VanDerWaalsContact C-N 3.29Å; H1135-E1137 PolarHBondContact O-N 3.25Å; H1135-A1138 WeakPolarHBondContact CD2-CB 3.3Å; H1135-A1138 PolarHBondContact O-N 3.32Å; H1135-L1139 PolarHBondContact O-N 3.36Å | ||
| 1136 | Y | 85.4 | Confident | 84.8 | Confident | 34 Ų | 34 | 33 Ų | 33 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -28.4 | -170.3 | -52.1 | -62 | 0 | 0 | 0 | 114.4 | C1134 L1139 S1140 D1166 S1172 L1175 | C1134-Y1136 WeakPolarHBondContact O-CD2 3.41Å; C1134-Y1136 PolarHBondContact O-N 3.11Å; C1134-Y1136 VanDerWaalsContact O-N 3.08Å; Y1136-L1139 PolarHBondContact O-N 3.34Å; Y1136-S1140 WeakPolarHBondContact O-CB 3.37Å; Y1136-S1140 PolarHBondContact O-N 3.24Å; Y1136-S1140 PolarHBondContact O-OG 3.15Å; Y1136-D1166 PolarHBondContact OH-OD2 3.38Å; Y1136-S1172 WeakPolarHBondContact CE2-OG 3.46Å; Y1136-S1172 PolarHBondContact OH-OG 2.89Å; Y1136-L1175 HydrophobicContact CD1-CB 4.3Å; Y1136-L1175 HydrophobicContact CE1-CB 3.67Å; Y1136-L1175 HydrophobicContact CE1-CD1 4.28Å |
| 1137 | E | 83.9 | Confident | 84.8 | Confident | 85 Ų | 85 | 31.6 Ų | 31.6 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67 | -47.6 | 176.1 | -167.4 | -173.7 | 170.8 | 0 | 0 | 111.7 | R1110 H1135 L1139 S1140 S1141 | R1110-E1137 IonicContact CZ-OE1 3.16Å; R1110-E1137 IonicContact NE-OE1 3.95Å; R1110-E1137 IonicContact NH2-OE1 2.68Å; R1110-E1137 PolarHBondContact NH2-OE1 3.26Å; R1110-E1137 IonicContact NH2-OE2 3.99Å; R1110-E1137 PolarHBondContact NH2-OE2 3.03Å; H1135-E1137 VanDerWaalsContact C-N 3.29Å; H1135-E1137 PolarHBondContact O-N 3.25Å; E1137-L1139 VanDerWaalsContact C-N 3.28Å; E1137-L1139 PolarHBondContact O-N 3.26Å; E1137-S1140 PolarHBondContact O-N 3.23Å; E1137-S1140 PolarHBondContact O-OG 3.34Å; E1137-S1141 WeakPolarHBondContact O-CB 3.18Å; E1137-S1141 PolarHBondContact O-N 3.34Å; E1137-S1141 PolarHBondContact O-OG 3.31Å |
| 1138 | A | 85.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -36 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1125 V1128 L1129 H1135 S1141 L1142 | L1125-A1138 HydrophobicContact CD2-CB 3.79Å; V1128-A1138 HydrophobicContact CG1-CB 4.01Å; L1129-A1138 HydrophobicContact CD2-CB 4.32Å; L1129-A1138 HydrophobicContact CG-CB 4.38Å; H1135-A1138 WeakPolarHBondContact CD2-CB 3.3Å; H1135-A1138 PolarHBondContact O-N 3.32Å; A1138-S1141 PolarHBondContact O-N 3.42Å; A1138-L1142 WeakPolarHBondContact O-CB 3.41Å; A1138-L1142 PolarHBondContact O-N 3.39Å |
| 1139 | L | 89.6 | Confident | 85 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.9 | -172.1 | 58.6 | 0 | 0 | 0 | 111.6 | L1129 H1135 Y1136 E1137 S1141 L1142 I1143 L1159 A1162 C1178 | L1129-L1139 HydrophobicContact CD1-CD1 4.11Å; L1129-L1139 HydrophobicContact CD2-CB 3.96Å; L1129-L1139 HydrophobicContact CD2-CD1 4.39Å; H1135-L1139 PolarHBondContact O-N 3.36Å; Y1136-L1139 PolarHBondContact O-N 3.34Å; E1137-L1139 VanDerWaalsContact C-N 3.28Å; E1137-L1139 PolarHBondContact O-N 3.26Å; L1139-S1141 VanDerWaalsContact C-N 3.33Å; L1139-S1141 PolarHBondContact O-N 3.05Å; L1139-L1142 WeakPolarHBondContact O-CB 3.5Å; L1139-L1142 PolarHBondContact O-N 3.25Å; L1139-I1143 HydrophobicContact CG-CD1 4.46Å; L1139-I1143 VanDerWaalsContact O-CG1 3.24Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.31Å; L1139-I1143 PolarHBondContact O-N 3.44Å; L1139-L1159 HydrophobicContact CD2-CD2 4.09Å; L1139-A1162 HydrophobicContact CD2-CB 4.13Å; L1139-C1178 HydrophobicContact CD2-CB 4.12Å; L1139-C1178 HydrophobicContact CG-CB 4.37Å |
| 1140 | S | 88.1 | Confident | 85 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 16% | 0.161 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 176 | 74.9 | 0 | 0 | 0 | 0 | 112 | Y1136 E1137 I1143 D1144 | Y1136-S1140 WeakPolarHBondContact O-CB 3.37Å; Y1136-S1140 PolarHBondContact O-N 3.24Å; Y1136-S1140 PolarHBondContact O-OG 3.15Å; E1137-S1140 PolarHBondContact O-N 3.23Å; E1137-S1140 PolarHBondContact O-OG 3.34Å; S1140-I1143 PolarHBondContact O-N 3.3Å; S1140-D1144 PolarHBondContact O-N 3.05Å; S1140-D1144 VanDerWaalsContact O-N 3.14Å |
| 1141 | S | 87.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 20% | 0.203 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | E1137 A1138 L1139 I1143 D1144 T1145 | E1137-S1141 WeakPolarHBondContact O-CB 3.18Å; E1137-S1141 PolarHBondContact O-N 3.34Å; E1137-S1141 PolarHBondContact O-OG 3.31Å; A1138-S1141 PolarHBondContact O-N 3.42Å; L1139-S1141 VanDerWaalsContact C-N 3.33Å; L1139-S1141 PolarHBondContact O-N 3.05Å; S1141-I1143 VanDerWaalsContact C-N 3.31Å; S1141-I1143 PolarHBondContact O-N 2.76Å; S1141-D1144 PolarHBondContact O-N 3.46Å; S1141-T1145 WeakPolarHBondContact O-CG2 3.38Å; S1141-T1145 PolarHBondContact O-N 3.24Å; S1141-T1145 PolarHBondContact O-OG1 3.07Å |
| 1142 | L | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 175.3 | -170.9 | 76 | 0 | 0 | 0 | 111 | L1125 E1126 L1129 A1138 L1139 T1145 Y1146 I1155 Y1158 | L1125-L1142 HydrophobicContact CB-CB 4.47Å; L1125-L1142 HydrophobicContact CB-CD1 3.78Å; L1125-L1142 HydrophobicContact CD1-CB 4.35Å; L1125-L1142 HydrophobicContact CD1-CD1 4.25Å; E1126-L1142 HydrophobicContact CG-CD1 4.34Å; L1129-L1142 HydrophobicContact CD1-CB 4.04Å; L1129-L1142 HydrophobicContact CD1-CD2 3.48Å; L1129-L1142 VanDerWaalsContact CD1-CD2 3.48Å; L1129-L1142 HydrophobicContact CD1-CG 4.25Å; A1138-L1142 WeakPolarHBondContact O-CB 3.41Å; A1138-L1142 PolarHBondContact O-N 3.39Å; L1139-L1142 WeakPolarHBondContact O-CB 3.5Å; L1139-L1142 PolarHBondContact O-N 3.25Å; L1142-T1145 WeakPolarHBondContact CA-OG1 3.44Å; L1142-T1145 PolarHBondContact O-N 3.27Å; L1142-T1145 PolarHBondContact O-OG1 3.17Å; L1142-Y1146 HydrophobicContact CD1-CD1 3.67Å; L1142-Y1146 HydrophobicContact CD1-CE1 3.28Å; L1142-Y1146 HydrophobicContact CD2-CE1 4.36Å; L1142-Y1146 HydrophobicContact CD2-CE2 4.29Å; L1142-Y1146 HydrophobicContact CG-CD1 3.9Å; L1142-Y1146 HydrophobicContact CG-CE1 3.82Å; L1142-Y1146 HydrophobicContact CG-CE2 4.38Å; L1142-Y1146 HydrophobicContact CG-CG 4.29Å; L1142-Y1146 WeakPolarHBondContact O-CB 3.37Å; L1142-Y1146 PolarHBondContact O-N 2.94Å; L1142-I1155 HydrophobicContact CD2-CD1 4.14Å; L1142-I1155 HydrophobicContact CG-CD1 4.19Å; L1142-Y1158 HydrophobicContact CD2-CD1 4.4Å; L1142-Y1158 HydrophobicContact CD2-CD2 3.93Å; L1142-Y1158 HydrophobicContact CD2-CE2 4.08Å; L1142-Y1158 HydrophobicContact CD2-CG 4.09Å |
| 1143 | I | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.3 | -65.1 | 164.7 | 0 | 0 | 0 | 110.7 | L1139 S1140 S1141 R1147 L1152 I1155 C1178 I1181 Y1185 | L1139-I1143 HydrophobicContact CG-CD1 4.46Å; L1139-I1143 VanDerWaalsContact O-CG1 3.24Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.31Å; L1139-I1143 PolarHBondContact O-N 3.44Å; S1140-I1143 PolarHBondContact O-N 3.3Å; S1141-I1143 VanDerWaalsContact C-N 3.31Å; S1141-I1143 PolarHBondContact O-N 2.76Å; I1143-R1147 WeakPolarHBondContact O-CB 3.29Å; I1143-R1147 PolarHBondContact O-N 3.18Å; I1143-L1152 HydrophobicContact CG2-CD2 4.46Å; I1143-I1155 HydrophobicContact CB-CD1 4.46Å; I1143-I1155 HydrophobicContact CD1-CG2 4.27Å; I1143-I1155 HydrophobicContact CG1-CD1 3.86Å; I1143-I1155 HydrophobicContact CG1-CG1 4.21Å; I1143-I1155 HydrophobicContact CG1-CG2 3.81Å; I1143-C1178 HydrophobicContact CD1-CB 3.9Å; I1143-I1181 HydrophobicContact CB-CG2 4.46Å; I1143-I1181 HydrophobicContact CG2-CG2 3.67Å; I1143-Y1185 HydrophobicContact CG2-CD2 3.83Å; I1143-Y1185 HydrophobicContact CG2-CE2 4.04Å |
| 1144 | D | 86.6 | Confident | 86.3 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 177 | -167.8 | 51.6 | 0 | 0 | 0 | 112.6 | S1140 S1141 R1147 R1148 Y1185 F1348 | S1140-D1144 PolarHBondContact O-N 3.05Å; S1140-D1144 VanDerWaalsContact O-N 3.14Å; S1141-D1144 PolarHBondContact O-N 3.46Å; D1144-R1147 WeakPolarHBondContact O-CB 3.46Å; D1144-R1147 PolarHBondContact O-N 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.8Å; D1144-R1147 VanDerWaalsContact OD1-CZ 3.3Å; D1144-R1147 IonicContact OD1-NE 3.49Å; D1144-R1147 PolarHBondContact OD1-NE 3.05Å; D1144-R1147 IonicContact OD1-NH2 3.24Å; D1144-R1147 PolarHBondContact OD1-NH2 3.05Å; D1144-R1148 VanDerWaalsContact O-CG 3.3Å; D1144-R1148 WeakPolarHBondContact O-CG 3.17Å; D1144-R1148 PolarHBondContact O-N 3.06Å; D1144-R1148 IonicContact OD1-NE 3.87Å; D1144-R1148 IonicContact OD2-CZ 3.44Å; D1144-R1148 IonicContact OD2-NE 3.9Å; D1144-R1148 PolarHBondContact OD2-NE 3.34Å; D1144-R1148 IonicContact OD2-NH2 2.99Å; D1144-Y1185 PolarHBondContact OD1-OH 3.09Å; D1144-F1348 WeakPolarHBondContact OD2-CE2 3.46Å |
| 1145 | T | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | I1113 F1118 A1121 N1122 L1125 S1141 L1142 R1147 R1148 C1149 | I1113-T1145 HydrophobicContact CD1-CG2 3.75Å; I1113-T1145 HydrophobicContact CG1-CG2 3.64Å; F1118-T1145 HydrophobicContact CD1-CG2 4.31Å; A1121-T1145 HydrophobicContact CB-CG2 4.46Å; N1122-T1145 WeakPolarHBondContact OD1-CB 3.12Å; N1122-T1145 PolarHBondContact OD1-OG1 3.48Å; L1125-T1145 HydrophobicContact CD1-CG2 4.25Å; S1141-T1145 WeakPolarHBondContact O-CG2 3.38Å; S1141-T1145 PolarHBondContact O-N 3.24Å; S1141-T1145 PolarHBondContact O-OG1 3.07Å; L1142-T1145 WeakPolarHBondContact CA-OG1 3.44Å; L1142-T1145 PolarHBondContact O-N 3.27Å; L1142-T1145 PolarHBondContact O-OG1 3.17Å; T1145-R1147 VanDerWaalsContact C-N 3.34Å; T1145-R1147 PolarHBondContact O-N 2.91Å; T1145-R1148 PolarHBondContact O-N 3.19Å; T1145-R1148 VanDerWaalsContact O-N 3.15Å; T1145-C1149 WeakPolarHBondContact O-CB 3.46Å; T1145-C1149 PolarHBondContact O-N 3.04Å; T1145-C1149 PolarHBondContact O-SG 3.04Å; T1145-C1149 VanDerWaalsContact O-SG 3.39Å |
| 1146 | Y | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 173.7 | -85.3 | 25.5 | 0 | 0 | 0 | 111.6 | N1122 E1126 L1142 R1148 C1149 G1150 L1151 R1154 I1155 Y1158 | N1122-Y1146 HydrophobicContact CB-CE1 3.96Å; N1122-Y1146 WeakPolarHBondContact OD1-CD1 3.35Å; E1126-Y1146 PolarHBondContact OE1-OH 2.78Å; L1142-Y1146 HydrophobicContact CD1-CD1 3.67Å; L1142-Y1146 HydrophobicContact CD1-CE1 3.28Å; L1142-Y1146 HydrophobicContact CD2-CE1 4.36Å; L1142-Y1146 HydrophobicContact CD2-CE2 4.29Å; L1142-Y1146 HydrophobicContact CG-CD1 3.9Å; L1142-Y1146 HydrophobicContact CG-CE1 3.82Å; L1142-Y1146 HydrophobicContact CG-CE2 4.38Å; L1142-Y1146 HydrophobicContact CG-CG 4.29Å; L1142-Y1146 WeakPolarHBondContact O-CB 3.37Å; L1142-Y1146 PolarHBondContact O-N 2.94Å; Y1146-R1148 VanDerWaalsContact C-N 3.34Å; Y1146-C1149 CarbonylContact O-C 3.58Å; Y1146-C1149 PolarHBondContact O-N 3.32Å; Y1146-G1150 PolarHBondContact O-N 3.41Å; Y1146-L1151 HydrophobicContact CD2-CB 4.1Å; Y1146-L1151 WeakPolarHBondContact CD2-O 3.35Å; Y1146-L1151 HydrophobicContact CG-CB 4.08Å; Y1146-L1151 PolarHBondContact O-N 2.86Å; Y1146-R1154 HydrophobicContact CD2-CB 4.19Å; Y1146-R1154 HydrophobicContact CE2-CB 3.7Å; Y1146-I1155 HydrophobicContact CD2-CD1 3.31Å; Y1146-I1155 HydrophobicContact CD2-CG1 3.79Å; Y1146-I1155 HydrophobicContact CE2-CD1 3.93Å; Y1146-I1155 HydrophobicContact CG-CD1 3.83Å; Y1146-I1155 HydrophobicContact CG-CG1 4.43Å; Y1146-Y1158 HydrophobicContact CE2-CE2 4.13Å |
| 1147 | R | 87 | Confident | 87 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 169.7 | 176.6 | -170.5 | 74.7 | 89.6 | -4.2 | 111 | I1143 D1144 T1145 C1149 G1150 L1152 Y1185 E1355 N1385 S1387 | I1143-R1147 WeakPolarHBondContact O-CB 3.29Å; I1143-R1147 PolarHBondContact O-N 3.18Å; D1144-R1147 WeakPolarHBondContact O-CB 3.46Å; D1144-R1147 PolarHBondContact O-N 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.8Å; D1144-R1147 VanDerWaalsContact OD1-CZ 3.3Å; D1144-R1147 IonicContact OD1-NE 3.49Å; D1144-R1147 PolarHBondContact OD1-NE 3.05Å; D1144-R1147 IonicContact OD1-NH2 3.24Å; D1144-R1147 PolarHBondContact OD1-NH2 3.05Å; T1145-R1147 VanDerWaalsContact C-N 3.34Å; T1145-R1147 PolarHBondContact O-N 2.91Å; R1147-C1149 VanDerWaalsContact C-N 3.26Å; R1147-C1149 PolarHBondContact O-N 3.23Å; R1147-G1150 PolarHBondContact O-N 3.4Å; R1147-L1152 HydrophobicContact CB-CD1 3.92Å; R1147-L1152 HydrophobicContact CB-CD2 4.29Å; R1147-L1152 HydrophobicContact CB-CG 4.09Å; R1147-L1152 HydrophobicContact CG-CD1 3.98Å; R1147-Y1185 HydrophobicContact CB-CD2 4.46Å; R1147-E1355 IonicContact NH1-OE2 2.73Å; R1147-N1385 VanDerWaalsContact NH1-CG 3.3Å; R1147-N1385 PolarHBondContact NH1-ND2 3.17Å; R1147-N1385 PolarHBondContact NH1-OD1 3.32Å; R1147-S1387 WeakPolarHBondContact O-CB 3.43Å; R1147-S1387 PolarHBondContact O-N 2.99Å; R1147-S1387 PolarHBondContact O-OG 3.16Å |
| 1148 | R | 86.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 2% | 0.023 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -33.2 | 178.4 | -69 | 174.7 | -176.3 | -75.7 | 2 | 112.6 | F1118 D1144 T1145 Y1146 A1351 E1355 Y1384 K1386 | F1118-R1148 HydrophobicContact CD1-CB 4.41Å; F1118-R1148 HydrophobicContact CD2-CB 3.97Å; F1118-R1148 VanDerWaalsContact CE1-CD 3.46Å; F1118-R1148 HydrophobicContact CE2-CB 4.07Å; F1118-R1148 HydrophobicContact CG-CB 4.15Å; F1118-R1148 HydrophobicContact CZ-CB 4.35Å; F1118-R1148 HydrophobicContact CZ-CG 4.47Å; D1144-R1148 VanDerWaalsContact O-CG 3.3Å; D1144-R1148 WeakPolarHBondContact O-CG 3.17Å; D1144-R1148 PolarHBondContact O-N 3.06Å; D1144-R1148 IonicContact OD1-NE 3.87Å; D1144-R1148 IonicContact OD2-CZ 3.44Å; D1144-R1148 IonicContact OD2-NE 3.9Å; D1144-R1148 PolarHBondContact OD2-NE 3.34Å; D1144-R1148 IonicContact OD2-NH2 2.99Å; T1145-R1148 PolarHBondContact O-N 3.19Å; T1145-R1148 VanDerWaalsContact O-N 3.15Å; Y1146-R1148 VanDerWaalsContact C-N 3.34Å; R1148-A1351 VanDerWaalsContact NH2-CB 3.33Å; R1148-E1355 IonicContact CZ-OE1 3.15Å; R1148-E1355 IonicContact NH1-OE1 3.58Å; R1148-E1355 PolarHBondContact NH1-OE1 3.29Å; R1148-Y1384 WeakPolarHBondContact CB-O 3.33Å; R1148-Y1384 WeakPolarHBondContact CG-O 3.34Å; R1148-K1386 WeakPolarHBondContact O-CB 3.47Å; R1148-K1386 PolarHBondContact O-N 2.94Å |
| 1149 | C | 86.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82 | -14.2 | 176.2 | -70.5 | 0 | 0 | 0 | 0 | 115.4 | F1118 N1122 T1145 Y1146 R1147 L1151 K1386 | F1118-C1149 WeakPolarHBondContact CB-SG 3.31Å; N1122-C1149 PolarHBondContact ND2-SG 3.06Å; N1122-C1149 VanDerWaalsContact ND2-SG 3.4Å; T1145-C1149 WeakPolarHBondContact O-CB 3.46Å; T1145-C1149 PolarHBondContact O-N 3.04Å; T1145-C1149 PolarHBondContact O-SG 3.04Å; T1145-C1149 VanDerWaalsContact O-SG 3.39Å; Y1146-C1149 CarbonylContact O-C 3.58Å; Y1146-C1149 PolarHBondContact O-N 3.32Å; R1147-C1149 VanDerWaalsContact C-N 3.26Å; R1147-C1149 PolarHBondContact O-N 3.23Å; C1149-L1151 HydrophobicContact CB-CD1 3.95Å; C1149-L1151 HydrophobicContact CB-CG 4.1Å; C1149-K1386 WeakPolarHBondContact O-CD 3.16Å |
| 1150 | G | 82.7 | Confident | 87.2 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 21 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y1146 R1147 S1387 | Y1146-G1150 PolarHBondContact O-N 3.41Å; R1147-G1150 PolarHBondContact O-N 3.4Å; G1150-S1387 WeakPolarHBondContact CA-OG 3.29Å |
| 1151 | L | 85.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | trans | -110.7 | 21.5 | -172.6 | -65 | 172.5 | 0 | 0 | 0 | 113.9 | Y1146 C1149 S1153 R1154 | Y1146-L1151 HydrophobicContact CD2-CB 4.1Å; Y1146-L1151 WeakPolarHBondContact CD2-O 3.35Å; Y1146-L1151 HydrophobicContact CG-CB 4.08Å; Y1146-L1151 PolarHBondContact O-N 2.86Å; C1149-L1151 HydrophobicContact CB-CD1 3.95Å; C1149-L1151 HydrophobicContact CB-CG 4.1Å; L1151-S1153 PolarHBondContact O-N 2.88Å; L1151-R1154 PolarHBondContact O-N 2.8Å; L1151-R1154 VanDerWaalsContact O-N 3.1Å | ||
| 1152 | L | 84.2 | Confident | 87 | Confident | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -53.7 | -26 | -179.6 | -86.8 | 156 | 0 | 0 | 0 | 114.1 | I1143 R1147 R1154 I1155 Y1182 | I1143-L1152 HydrophobicContact CG2-CD2 4.46Å; R1147-L1152 HydrophobicContact CB-CD1 3.92Å; R1147-L1152 HydrophobicContact CB-CD2 4.29Å; R1147-L1152 HydrophobicContact CB-CG 4.09Å; R1147-L1152 HydrophobicContact CG-CD1 3.98Å; L1152-R1154 PolarHBondContact O-N 2.82Å; L1152-I1155 PolarHBondContact O-N 3.41Å; L1152-Y1182 HydrophobicContact CD2-CD2 4.36Å |
| 1153 | S | 83.5 | Confident | 86.7 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -62.9 | -20.5 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | L1151 P1156 | L1151-S1153 PolarHBondContact O-N 2.88Å; S1153-P1156 WeakPolarHBondContact O-CD 3.29Å |
| 1154 | R | 86.2 | Confident | 86.4 | Confident | 129 Ų | 129 | 48.6 Ų | 48.6 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -87.9 | -17.2 | 179.7 | -67 | -176.4 | 179.5 | -173.1 | -0.6 | 114.2 | Y1146 L1151 L1152 P1156 E1157 | Y1146-R1154 HydrophobicContact CD2-CB 4.19Å; Y1146-R1154 HydrophobicContact CE2-CB 3.7Å; L1151-R1154 PolarHBondContact O-N 2.8Å; L1151-R1154 VanDerWaalsContact O-N 3.1Å; L1152-R1154 PolarHBondContact O-N 2.82Å; R1154-P1156 VanDerWaalsContact C-CD 3.42Å; R1154-E1157 PolarHBondContact O-N 2.98Å |
| 1155 | I | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -38.7 | -178.2 | -66.2 | -59 | 0 | 0 | 0 | 114.1 | L1142 I1143 Y1146 L1152 E1157 Y1158 L1159 Y1182 | L1142-I1155 HydrophobicContact CD2-CD1 4.14Å; L1142-I1155 HydrophobicContact CG-CD1 4.19Å; I1143-I1155 HydrophobicContact CB-CD1 4.46Å; I1143-I1155 HydrophobicContact CD1-CG2 4.27Å; I1143-I1155 HydrophobicContact CG1-CD1 3.86Å; I1143-I1155 HydrophobicContact CG1-CG1 4.21Å; I1143-I1155 HydrophobicContact CG1-CG2 3.81Å; Y1146-I1155 HydrophobicContact CD2-CD1 3.31Å; Y1146-I1155 HydrophobicContact CD2-CG1 3.79Å; Y1146-I1155 HydrophobicContact CE2-CD1 3.93Å; Y1146-I1155 HydrophobicContact CG-CD1 3.83Å; Y1146-I1155 HydrophobicContact CG-CG1 4.43Å; L1152-I1155 PolarHBondContact O-N 3.41Å; I1155-E1157 PolarHBondContact O-N 3.45Å; I1155-E1157 VanDerWaalsContact O-N 3.14Å; I1155-Y1158 PolarHBondContact O-N 3.47Å; I1155-L1159 HydrophobicContact CG2-CD1 3.65Å; I1155-L1159 HydrophobicContact CG2-CG 3.85Å; I1155-L1159 PolarHBondContact O-N 3.22Å; I1155-Y1182 HydrophobicContact CB-CD2 3.99Å; I1155-Y1182 HydrophobicContact CB-CE2 4.07Å; I1155-Y1182 HydrophobicContact CG2-CD2 3.63Å; I1155-Y1182 HydrophobicContact CG2-CE2 4.13Å; I1155-Y1182 HydrophobicContact CG2-CG 4.26Å |
| 1156 | P | 87.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 26% | 0.26 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.8 | -34.2 | 179.1 | -29.8 | 37.5 | 0 | 0 | 0 | 114.3 | S1153 R1154 L1159 Q1160 Y1182 | S1153-P1156 WeakPolarHBondContact O-CD 3.29Å; R1154-P1156 VanDerWaalsContact C-CD 3.42Å; P1156-L1159 PolarHBondContact O-N 3.5Å; P1156-Q1160 WeakPolarHBondContact O-CB 3.24Å; P1156-Q1160 VanDerWaalsContact O-CG 3.29Å; P1156-Q1160 WeakPolarHBondContact O-CG 3.49Å; P1156-Q1160 PolarHBondContact O-N 3.16Å; P1156-Y1182 HydrophobicContact CG-CE2 4.28Å; P1156-Y1182 WeakPolarHBondContact CG-OH 3.39Å |
| 1157 | E | 88.6 | Confident | 84.7 | Confident | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.3 | -62.5 | -179.4 | -174.2 | 0 | 0 | 111.8 | R1154 I1155 K1161 | R1154-E1157 PolarHBondContact O-N 2.98Å; I1155-E1157 PolarHBondContact O-N 3.45Å; I1155-E1157 VanDerWaalsContact O-N 3.14Å; E1157-K1161 WeakPolarHBondContact O-CG 3.45Å; E1157-K1161 PolarHBondContact O-N 3.1Å |
| 1158 | Y | 88.7 | Confident | 84.2 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.8 | -39.2 | 177.9 | -68.6 | -79.1 | 0 | 0 | 0 | 112.2 | E1126 L1129 L1142 Y1146 I1155 Q1160 K1161 A1162 | E1126-Y1158 WeakPolarHBondContact CG-OH 3.19Å; L1129-Y1158 HydrophobicContact CB-CD1 4.49Å; L1129-Y1158 HydrophobicContact CD1-CD1 4.49Å; L1142-Y1158 HydrophobicContact CD2-CD1 4.4Å; L1142-Y1158 HydrophobicContact CD2-CD2 3.93Å; L1142-Y1158 HydrophobicContact CD2-CE2 4.08Å; L1142-Y1158 HydrophobicContact CD2-CG 4.09Å; Y1146-Y1158 HydrophobicContact CE2-CE2 4.13Å; I1155-Y1158 PolarHBondContact O-N 3.47Å; Y1158-Q1160 VanDerWaalsContact C-N 3.32Å; Y1158-Q1160 PolarHBondContact O-N 3.22Å; Y1158-K1161 PolarHBondContact O-N 3.07Å; Y1158-A1162 WeakPolarHBondContact O-CB 3.36Å; Y1158-A1162 PolarHBondContact O-N 2.85Å |
| 1159 | L | 87.4 | Confident | 83.4 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 174.1 | -71.1 | 171.9 | 0 | 0 | 0 | 111.5 | L1139 I1155 P1156 A1162 K1163 C1178 Y1179 Y1182 | L1139-L1159 HydrophobicContact CD2-CD2 4.09Å; I1155-L1159 HydrophobicContact CG2-CD1 3.65Å; I1155-L1159 HydrophobicContact CG2-CG 3.85Å; I1155-L1159 PolarHBondContact O-N 3.22Å; P1156-L1159 PolarHBondContact O-N 3.5Å; L1159-A1162 PolarHBondContact O-N 3.39Å; L1159-K1163 WeakPolarHBondContact O-CB 3.38Å; L1159-K1163 PolarHBondContact O-N 3.4Å; L1159-C1178 HydrophobicContact CD2-CB 3.95Å; L1159-Y1179 HydrophobicContact CB-CE1 4.13Å; L1159-Y1179 HydrophobicContact CD1-CD1 3.99Å; L1159-Y1179 HydrophobicContact CD1-CE1 3.9Å; L1159-Y1179 HydrophobicContact CG-CE1 4.42Å; L1159-Y1182 HydrophobicContact CD1-CD1 4.18Å; L1159-Y1182 HydrophobicContact CD1-CG 4.02Å |
| 1160 | Q | 86.8 | Confident | 82.7 | Confident | 136 Ų | 136 | 74 Ų | 74 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 174.8 | -75.1 | 178.2 | 6 | 0 | 0 | 112.5 | P1156 Y1158 K1163 S1164 | P1156-Q1160 WeakPolarHBondContact O-CB 3.24Å; P1156-Q1160 VanDerWaalsContact O-CG 3.29Å; P1156-Q1160 WeakPolarHBondContact O-CG 3.49Å; P1156-Q1160 PolarHBondContact O-N 3.16Å; Y1158-Q1160 VanDerWaalsContact C-N 3.32Å; Y1158-Q1160 PolarHBondContact O-N 3.22Å; Q1160-K1163 PolarHBondContact O-N 3.38Å; Q1160-S1164 PolarHBondContact O-N 3.41Å; Q1160-S1164 PolarHBondContact O-OG 3.22Å |
| 1161 | K | 85.6 | Confident | 82.5 | Confident | 87 Ų | 87 | 77 Ų | 77 | 38% | 0.378 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.3 | -73.8 | 172.7 | -175.1 | 171.4 | 0 | 112.1 | E1157 Y1158 K1163 S1164 Y1165 | E1157-K1161 WeakPolarHBondContact O-CG 3.45Å; E1157-K1161 PolarHBondContact O-N 3.1Å; Y1158-K1161 PolarHBondContact O-N 3.07Å; K1161-K1163 VanDerWaalsContact C-N 3.34Å; K1161-S1164 PolarHBondContact O-N 3.47Å; K1161-S1164 PolarHBondContact O-OG 3.4Å; K1161-Y1165 WeakPolarHBondContact O-CD2 3.48Å; K1161-Y1165 PolarHBondContact O-N 3.33Å |
| 1162 | A | 84 | Confident | 82.3 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1133 L1139 Y1158 L1159 S1164 Y1165 D1166 L1175 | P1133-A1162 WeakPolarHBondContact O-CB 3.4Å; L1139-A1162 HydrophobicContact CD2-CB 4.13Å; Y1158-A1162 WeakPolarHBondContact O-CB 3.36Å; Y1158-A1162 PolarHBondContact O-N 2.85Å; L1159-A1162 PolarHBondContact O-N 3.39Å; A1162-S1164 VanDerWaalsContact C-N 3.35Å; A1162-S1164 PolarHBondContact O-N 2.93Å; A1162-Y1165 PolarHBondContact O-N 2.79Å; A1162-D1166 WeakPolarHBondContact O-CB 3.38Å; A1162-D1166 PolarHBondContact O-N 2.96Å; A1162-L1175 HydrophobicContact CB-CD1 3.93Å |
| 1163 | K | 85 | Confident | 82.3 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 177.7 | -175.3 | 174.9 | -179.2 | 178.1 | 0 | 113.5 | L1159 Q1160 K1161 P1169 L1175 | L1159-K1163 WeakPolarHBondContact O-CB 3.38Å; L1159-K1163 PolarHBondContact O-N 3.4Å; Q1160-K1163 PolarHBondContact O-N 3.38Å; K1161-K1163 VanDerWaalsContact C-N 3.34Å; K1163-P1169 HydrophobicContact CG-CB 3.89Å; K1163-P1169 HydrophobicContact CG-CG 4.32Å; K1163-L1175 HydrophobicContact CB-CD2 4.31Å |
| 1164 | S | 84.3 | Confident | 82.4 | Confident | 92 Ų | 92 | 70.9 Ų | 70.9 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -79.5 | -24.7 | 179.3 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | Q1160 K1161 A1162 | Q1160-S1164 PolarHBondContact O-N 3.41Å; Q1160-S1164 PolarHBondContact O-OG 3.22Å; K1161-S1164 PolarHBondContact O-N 3.47Å; K1161-S1164 PolarHBondContact O-OG 3.4Å; A1162-S1164 VanDerWaalsContact C-N 3.35Å; A1162-S1164 PolarHBondContact O-N 2.93Å |
| 1165 | Y | 80.7 | Confident | 82.5 | Confident | 132 Ų | 132 | 64.8 Ų | 64.8 | 52% | 0.518 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85 | -25.7 | 177.2 | -93.4 | -96 | 0 | 0 | 0 | 113.6 | P1133 C1134 K1161 A1162 | P1133-Y1165 HydrophobicContact CB-CD2 4.1Å; P1133-Y1165 HydrophobicContact CB-CG 4.25Å; P1133-Y1165 HydrophobicContact CG-CD1 4.44Å; P1133-Y1165 HydrophobicContact CG-CD2 3.8Å; P1133-Y1165 HydrophobicContact CG-CE1 4.49Å; P1133-Y1165 HydrophobicContact CG-CE2 3.85Å; P1133-Y1165 HydrophobicContact CG-CG 4.09Å; C1134-Y1165 VanDerWaalsContact SG-CB 3.58Å; K1161-Y1165 WeakPolarHBondContact O-CD2 3.48Å; K1161-Y1165 PolarHBondContact O-N 3.33Å; A1162-Y1165 PolarHBondContact O-N 2.79Å |
| 1166 | D | 75.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | trans | -78.1 | 134.6 | -179 | -163.3 | -9.9 | 0 | 0 | 0 | 111.6 | Y1136 A1162 Q1168 P1169 S1172 | Y1136-D1166 PolarHBondContact OH-OD2 3.38Å; A1162-D1166 WeakPolarHBondContact O-CB 3.38Å; A1162-D1166 PolarHBondContact O-N 2.96Å; D1166-Q1168 VanDerWaalsContact C-N 3.33Å; D1166-Q1168 PolarHBondContact OD1-N 3.13Å; D1166-P1169 HydrophobicContact CB-CB 4.44Å; D1166-S1172 WeakPolarHBondContact OD2-CB 3.5Å; D1166-S1172 PolarHBondContact OD2-OG 3.44Å | ||
| 1167 | S | 71.8 | Confident | 82.6 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 80% | 0.797 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -74.9 | -25.4 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1168 | Q | 77.5 | Confident | 82.7 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | trans | -139.7 | 70.5 | 179.7 | -66 | -168.7 | -18.5 | 0 | 0 | 111.2 | D1166 E1170 V1171 S1172 | D1166-Q1168 VanDerWaalsContact C-N 3.33Å; D1166-Q1168 PolarHBondContact OD1-N 3.13Å; Q1168-E1170 PolarHBondContact O-N 3.39Å; Q1168-E1170 VanDerWaalsContact O-N 3.15Å; Q1168-V1171 HydrophobicContact CB-CB 4.19Å; Q1168-V1171 HydrophobicContact CB-CG2 4.28Å; Q1168-V1171 PolarHBondContact O-N 3.07Å; Q1168-V1171 VanDerWaalsContact O-N 3.1Å; Q1168-S1172 PolarHBondContact O-N 3.45Å; Q1168-S1172 VanDerWaalsContact O-N 3.16Å | ||
| 1169 | P | 69.6 | Low | 82.8 | Confident | 35 Ų | 35 | 59 Ų | 59 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.2 | -172.6 | 23.9 | -34.2 | 0 | 0 | 0 | 113.6 | K1163 D1166 L1175 | K1163-P1169 HydrophobicContact CG-CB 3.89Å; K1163-P1169 HydrophobicContact CG-CG 4.32Å; D1166-P1169 HydrophobicContact CB-CB 4.44Å; P1169-L1175 HydrophobicContact CB-CD2 3.71Å |
| 1170 | E | 71.4 | Confident | 82.9 | Confident | 159 Ų | 159 | 58.8 Ų | 58.8 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -29 | -179.6 | -63.2 | -175.2 | 171 | 0 | 0 | 112.9 | Q1168 N1176 | Q1168-E1170 PolarHBondContact O-N 3.39Å; Q1168-E1170 VanDerWaalsContact O-N 3.15Å; E1170-N1176 PolarHBondContact O-ND2 3.33Å |
| 1171 | V | 78.1 | Confident | 83 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -26.5 | -178.1 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | Q1168 C1173 | Q1168-V1171 HydrophobicContact CB-CB 4.19Å; Q1168-V1171 HydrophobicContact CB-CG2 4.28Å; Q1168-V1171 PolarHBondContact O-N 3.07Å; Q1168-V1171 VanDerWaalsContact O-N 3.1Å; V1171-C1173 PolarHBondContact O-N 2.93Å |
| 1172 | S | 82.5 | Confident | 83.2 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -62.5 | 107.7 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | Y1136 D1166 Q1168 G1174 L1175 N1176 | Y1136-S1172 WeakPolarHBondContact CE2-OG 3.46Å; Y1136-S1172 PolarHBondContact OH-OG 2.89Å; D1166-S1172 WeakPolarHBondContact OD2-CB 3.5Å; D1166-S1172 PolarHBondContact OD2-OG 3.44Å; Q1168-S1172 PolarHBondContact O-N 3.45Å; Q1168-S1172 VanDerWaalsContact O-N 3.16Å; S1172-G1174 VanDerWaalsContact C-N 3.31Å; S1172-G1174 PolarHBondContact O-N 3.38Å; S1172-L1175 PolarHBondContact O-N 3.2Å; S1172-L1175 PolarHBondContact OG-N 3Å; S1172-N1176 PolarHBondContact O-N 3.38Å; S1172-N1176 PolarHBondContact O-ND2 2.94Å | ||
| 1173 | C | 85 | Confident | 83.4 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | 179.2 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | V1171 N1176 Y1177 C1199 D1202 | V1171-C1173 PolarHBondContact O-N 2.93Å; C1173-N1176 PolarHBondContact O-N 3.4Å; C1173-Y1177 VanDerWaalsContact O-CB 3.28Å; C1173-Y1177 WeakPolarHBondContact O-CB 3.48Å; C1173-Y1177 PolarHBondContact O-N 3.42Å; C1173-C1199 PolarHBondContact O-SG 3.36Å; C1173-D1202 HydrophobicContact CB-CB 3.85Å |
| 1174 | G | 84.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1172 Y1177 C1178 | S1172-G1174 VanDerWaalsContact C-N 3.31Å; S1172-G1174 PolarHBondContact O-N 3.38Å; G1174-Y1177 PolarHBondContact O-N 3.31Å; G1174-C1178 PolarHBondContact O-N 3.09Å; G1174-C1178 PolarHBondContact O-SG 3.13Å; G1174-C1178 VanDerWaalsContact O-SG 3.39Å |
| 1175 | L | 88.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 175.5 | -174.8 | 59.7 | 0 | 0 | 0 | 111.3 | Y1136 A1162 K1163 P1169 S1172 Y1177 C1178 Y1179 | Y1136-L1175 HydrophobicContact CD1-CB 4.3Å; Y1136-L1175 HydrophobicContact CE1-CB 3.67Å; Y1136-L1175 HydrophobicContact CE1-CD1 4.28Å; A1162-L1175 HydrophobicContact CB-CD1 3.93Å; K1163-L1175 HydrophobicContact CB-CD2 4.31Å; P1169-L1175 HydrophobicContact CB-CD2 3.71Å; S1172-L1175 PolarHBondContact O-N 3.2Å; S1172-L1175 PolarHBondContact OG-N 3Å; L1175-Y1177 VanDerWaalsContact C-N 3.28Å; L1175-Y1177 PolarHBondContact O-N 2.99Å; L1175-C1178 PolarHBondContact O-N 3.3Å; L1175-Y1179 HydrophobicContact CD1-CD2 4.07Å; L1175-Y1179 HydrophobicContact CD1-CE2 3.73Å; L1175-Y1179 HydrophobicContact CD2-CE2 4.19Å; L1175-Y1179 HydrophobicContact CG-CD2 3.9Å; L1175-Y1179 HydrophobicContact CG-CE2 3.72Å; L1175-Y1179 VanDerWaalsContact O-CD2 3.29Å; L1175-Y1179 WeakPolarHBondContact O-CD2 3.23Å; L1175-Y1179 PolarHBondContact O-N 3.26Å |
| 1176 | N | 89.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 175.5 | -75.6 | -59.6 | 0 | 0 | 0 | 111.4 | E1170 S1172 C1173 Y1179 G1180 Y1195 R1198 C1199 | E1170-N1176 PolarHBondContact O-ND2 3.33Å; S1172-N1176 PolarHBondContact O-N 3.38Å; S1172-N1176 PolarHBondContact O-ND2 2.94Å; C1173-N1176 PolarHBondContact O-N 3.4Å; N1176-Y1179 PolarHBondContact O-N 2.85Å; N1176-G1180 PolarHBondContact O-N 3.29Å; N1176-Y1195 HydrophobicContact CB-CD1 4.35Å; N1176-Y1195 WeakPolarHBondContact O-CB 3.25Å; N1176-Y1195 WeakPolarHBondContact OD1-CD1 3.36Å; N1176-R1198 HydrophobicContact CB-CB 4.3Å; N1176-R1198 WeakPolarHBondContact OD1-CD 3.43Å; N1176-R1198 PolarHBondContact OD1-NH1 2.78Å; N1176-C1199 VanDerWaalsContact CB-SG 3.59Å |
| 1177 | Y | 90.6 | Very high | 83.4 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.6 | -179.7 | -107.7 | 0 | 0 | 0 | 111.9 | C1173 G1174 L1175 G1180 I1181 F1196 C1199 Y1205 M1208 A1209 | C1173-Y1177 VanDerWaalsContact O-CB 3.28Å; C1173-Y1177 WeakPolarHBondContact O-CB 3.48Å; C1173-Y1177 PolarHBondContact O-N 3.42Å; G1174-Y1177 PolarHBondContact O-N 3.31Å; L1175-Y1177 VanDerWaalsContact C-N 3.28Å; L1175-Y1177 PolarHBondContact O-N 2.99Å; Y1177-G1180 PolarHBondContact O-N 2.91Å; Y1177-G1180 VanDerWaalsContact O-N 3.16Å; Y1177-I1181 HydrophobicContact CD1-CD1 3.65Å; Y1177-I1181 HydrophobicContact CD1-CG1 4.44Å; Y1177-I1181 HydrophobicContact CE1-CD1 3.15Å; Y1177-I1181 HydrophobicContact CE1-CG1 4.1Å; Y1177-I1181 HydrophobicContact CE2-CD1 4.22Å; Y1177-I1181 HydrophobicContact CE2-CG1 4.33Å; Y1177-I1181 HydrophobicContact CG-CD1 4.37Å; Y1177-I1181 VanDerWaalsContact CZ-CD1 3.46Å; Y1177-I1181 WeakPolarHBondContact O-CG1 3.5Å; Y1177-I1181 PolarHBondContact O-N 3.27Å; Y1177-F1196 HydrophobicContact CD2-CD1 4.06Å; Y1177-F1196 AromaticContact CD2-CE1 3.93Å; Y1177-F1196 HydrophobicContact CD2-CE1 3.93Å; Y1177-F1196 HydrophobicContact CE2-CD1 4.39Å; Y1177-F1196 HydrophobicContact CE2-CE1 4.01Å; Y1177-C1199 PolarHBondContact N-SG 2.94Å; Y1177-Y1205 AromaticContact CD1-CD1 3.41Å; Y1177-Y1205 HydrophobicContact CD1-CD1 3.41Å; Y1177-Y1205 VanDerWaalsContact CD1-CD1 3.41Å; Y1177-Y1205 AromaticContact CD1-CE1 3.78Å; Y1177-Y1205 HydrophobicContact CD1-CE1 3.78Å; Y1177-Y1205 HydrophobicContact CD1-CG 4.43Å; Y1177-Y1205 HydrophobicContact CD2-CD1 4.29Å; Y1177-Y1205 AromaticContact CE1-CD1 3.88Å; Y1177-Y1205 HydrophobicContact CE1-CD1 3.88Å; Y1177-Y1205 HydrophobicContact CE1-CE1 4.27Å; Y1177-Y1205 AromaticContact CG-CD1 3.64Å; Y1177-Y1205 HydrophobicContact CG-CD1 3.64Å; Y1177-Y1205 HydrophobicContact CG-CE1 4.36Å; Y1177-Y1205 HydrophobicContact CG-CG 4.25Å; Y1177-M1208 HydrophobicContact CE2-CB 4.02Å; Y1177-M1208 WeakPolarHBondContact OH-CB 3.42Å; Y1177-A1209 HydrophobicContact CD2-CB 4.23Å; Y1177-A1209 HydrophobicContact CE2-CB 4.41Å |
| 1178 | C | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 174.6 | -70 | 0 | 0 | 0 | 0 | 112.6 | L1139 I1143 L1159 G1174 L1175 I1181 Y1182 | L1139-C1178 HydrophobicContact CD2-CB 4.12Å; L1139-C1178 HydrophobicContact CG-CB 4.37Å; I1143-C1178 HydrophobicContact CD1-CB 3.9Å; L1159-C1178 HydrophobicContact CD2-CB 3.95Å; G1174-C1178 PolarHBondContact O-N 3.09Å; G1174-C1178 PolarHBondContact O-SG 3.13Å; G1174-C1178 VanDerWaalsContact O-SG 3.39Å; L1175-C1178 PolarHBondContact O-N 3.3Å; C1178-I1181 PolarHBondContact O-N 3.29Å; C1178-Y1182 WeakPolarHBondContact O-CB 3.44Å; C1178-Y1182 PolarHBondContact O-N 3Å |
| 1179 | Y | 89.9 | Confident | 84.1 | Confident | 34 Ų | 34 | 32.1 Ų | 32.1 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 170.7 | -85.2 | -70.6 | 0 | 0 | 0 | 111.6 | L1159 L1175 N1176 I1181 Y1182 H1183 Y1195 | L1159-Y1179 HydrophobicContact CB-CE1 4.13Å; L1159-Y1179 HydrophobicContact CD1-CD1 3.99Å; L1159-Y1179 HydrophobicContact CD1-CE1 3.9Å; L1159-Y1179 HydrophobicContact CG-CE1 4.42Å; L1175-Y1179 HydrophobicContact CD1-CD2 4.07Å; L1175-Y1179 HydrophobicContact CD1-CE2 3.73Å; L1175-Y1179 HydrophobicContact CD2-CE2 4.19Å; L1175-Y1179 HydrophobicContact CG-CD2 3.9Å; L1175-Y1179 HydrophobicContact CG-CE2 3.72Å; L1175-Y1179 VanDerWaalsContact O-CD2 3.29Å; L1175-Y1179 WeakPolarHBondContact O-CD2 3.23Å; L1175-Y1179 PolarHBondContact O-N 3.26Å; N1176-Y1179 PolarHBondContact O-N 2.85Å; Y1179-I1181 PolarHBondContact O-N 2.95Å; Y1179-Y1182 PolarHBondContact O-N 3.29Å; Y1179-H1183 PolarHBondContact O-CD2 2.88Å; Y1179-H1183 PolarHBondContact O-N 3.41Å; Y1179-Y1195 HydrophobicContact CD2-CE1 4.33Å; Y1179-Y1195 HydrophobicContact CG-CD1 4.43Å; Y1179-Y1195 HydrophobicContact CG-CE1 4.05Å; Y1179-Y1195 HydrophobicContact CG-CE2 4.49Å |
| 1180 | G | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1176 Y1177 F1184 F1196 | N1176-G1180 PolarHBondContact O-N 3.29Å; Y1177-G1180 PolarHBondContact O-N 2.91Å; Y1177-G1180 VanDerWaalsContact O-N 3.16Å; G1180-F1184 WeakPolarHBondContact O-CB 3.45Å; G1180-F1184 PolarHBondContact O-N 2.7Å; G1180-F1196 VanDerWaalsContact O-CZ 3.3Å; G1180-F1196 WeakPolarHBondContact O-CZ 3.23Å |
| 1181 | I | 89.3 | Confident | 85.5 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 176.8 | -66.1 | 167.7 | 0 | 0 | 0 | 111.2 | I1143 Y1177 C1178 Y1179 F1184 Y1185 F1196 | I1143-I1181 HydrophobicContact CB-CG2 4.46Å; I1143-I1181 HydrophobicContact CG2-CG2 3.67Å; Y1177-I1181 HydrophobicContact CD1-CD1 3.65Å; Y1177-I1181 HydrophobicContact CD1-CG1 4.44Å; Y1177-I1181 HydrophobicContact CE1-CD1 3.15Å; Y1177-I1181 HydrophobicContact CE1-CG1 4.1Å; Y1177-I1181 HydrophobicContact CE2-CD1 4.22Å; Y1177-I1181 HydrophobicContact CE2-CG1 4.33Å; Y1177-I1181 HydrophobicContact CG-CD1 4.37Å; Y1177-I1181 VanDerWaalsContact CZ-CD1 3.46Å; Y1177-I1181 WeakPolarHBondContact O-CG1 3.5Å; Y1177-I1181 PolarHBondContact O-N 3.27Å; C1178-I1181 PolarHBondContact O-N 3.29Å; Y1179-I1181 PolarHBondContact O-N 2.95Å; I1181-F1184 WeakPolarHBondContact O-CB 3.47Å; I1181-F1184 PolarHBondContact O-N 3.39Å; I1181-Y1185 HydrophobicContact CG2-CD2 3.57Å; I1181-Y1185 HydrophobicContact CG2-CE2 3.18Å; I1181-Y1185 WeakPolarHBondContact O-CD2 3.47Å; I1181-Y1185 PolarHBondContact O-N 2.97Å; I1181-F1196 HydrophobicContact CG1-CE1 4.18Å; I1181-F1196 HydrophobicContact CG1-CZ 4.33Å |
| 1182 | Y | 89.6 | Confident | 86 | Confident | 42 Ų | 42 | 24.9 Ų | 24.9 | 17% | 0.165 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -51.2 | 179.5 | 173.3 | -103.4 | 0 | 0 | 0 | 111.3 | L1152 I1155 P1156 L1159 C1178 Y1179 F1184 Y1185 T1186 | L1152-Y1182 HydrophobicContact CD2-CD2 4.36Å; I1155-Y1182 HydrophobicContact CB-CD2 3.99Å; I1155-Y1182 HydrophobicContact CB-CE2 4.07Å; I1155-Y1182 HydrophobicContact CG2-CD2 3.63Å; I1155-Y1182 HydrophobicContact CG2-CE2 4.13Å; I1155-Y1182 HydrophobicContact CG2-CG 4.26Å; P1156-Y1182 HydrophobicContact CG-CE2 4.28Å; P1156-Y1182 WeakPolarHBondContact CG-OH 3.39Å; L1159-Y1182 HydrophobicContact CD1-CD1 4.18Å; L1159-Y1182 HydrophobicContact CD1-CG 4.02Å; C1178-Y1182 WeakPolarHBondContact O-CB 3.44Å; C1178-Y1182 PolarHBondContact O-N 3Å; Y1179-Y1182 PolarHBondContact O-N 3.29Å; Y1182-F1184 VanDerWaalsContact C-N 3.29Å; Y1182-F1184 PolarHBondContact O-N 3.01Å; Y1182-Y1185 PolarHBondContact O-N 3.45Å; Y1182-Y1185 VanDerWaalsContact O-N 3.17Å; Y1182-T1186 HydrophobicContact CD2-CG2 4.39Å; Y1182-T1186 HydrophobicContact CE1-CG2 4.17Å; Y1182-T1186 HydrophobicContact CE2-CG2 3.93Å; Y1182-T1186 WeakPolarHBondContact O-CG2 3.44Å; Y1182-T1186 PolarHBondContact O-N 3.41Å; Y1182-T1186 PolarHBondContact O-OG1 2.89Å |
| 1183 | H | 87.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 26.5 Ų | 26.5 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -30.7 | 178.5 | -72.6 | -70.3 | 0 | 0 | 0 | 112.9 | Y1179 T1186 S1187 E1188 V1191 A1192 Y1195 | Y1179-H1183 PolarHBondContact O-CD2 2.88Å; Y1179-H1183 PolarHBondContact O-N 3.41Å; H1183-T1186 WeakPolarHBondContact CA-OG1 3.43Å; H1183-T1186 PolarHBondContact O-N 3.1Å; H1183-T1186 PolarHBondContact O-OG1 3.05Å; H1183-S1187 PolarHBondContact O-N 2.95Å; H1183-E1188 HydrophobicContact CB-CB 4.31Å; H1183-E1188 IonicContact CE1-OE2 3.79Å; H1183-E1188 PolarHBondContact CE1-OE2 3.47Å; H1183-E1188 IonicContact CG-OE2 2.9Å; H1183-E1188 IonicContact ND1-OE2 3.14Å; H1183-E1188 PolarHBondContact ND1-OE2 3.05Å; H1183-E1188 PolarHBondContact O-N 2.89Å; H1183-V1191 HydrophobicContact CB-CB 4.31Å; H1183-V1191 HydrophobicContact CB-CG1 4.26Å; H1183-A1192 HydrophobicContact CB-CB 3.91Å; H1183-Y1195 AromaticContact CD2-CD2 3.74Å; H1183-Y1195 AromaticContact CD2-CE2 3.53Å; H1183-Y1195 AromaticContact NE2-CE2 3.67Å |
| 1184 | F | 86.4 | Confident | 86.5 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 13% | 0.127 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 172.8 | 178.5 | -107 | 0 | 0 | 0 | 111.1 | G1180 I1181 Y1182 S1187 L1189 A1192 F1196 I1216 | G1180-F1184 WeakPolarHBondContact O-CB 3.45Å; G1180-F1184 PolarHBondContact O-N 2.7Å; I1181-F1184 WeakPolarHBondContact O-CB 3.47Å; I1181-F1184 PolarHBondContact O-N 3.39Å; Y1182-F1184 VanDerWaalsContact C-N 3.29Å; Y1182-F1184 PolarHBondContact O-N 3.01Å; F1184-S1187 PolarHBondContact O-N 3.28Å; F1184-L1189 HydrophobicContact CD2-CD2 4.01Å; F1184-L1189 HydrophobicContact CE2-CD2 4.35Å; F1184-A1192 HydrophobicContact CB-CB 4.05Å; F1184-F1196 HydrophobicContact CB-CE2 4.09Å; F1184-F1196 HydrophobicContact CB-CZ 4.2Å; F1184-F1196 HydrophobicContact CG-CE2 4.5Å; F1184-I1216 HydrophobicContact CD2-CD1 3.85Å; F1184-I1216 HydrophobicContact CD2-CG1 3.77Å; F1184-I1216 HydrophobicContact CE2-CD1 4.28Å; F1184-I1216 HydrophobicContact CE2-CG1 3.71Å |
| 1185 | Y | 83.2 | Confident | 86.8 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.2 | -26.5 | 178.5 | -65.6 | -35.8 | 0 | 0 | 0 | 114.2 | I1143 D1144 R1147 I1181 Y1182 S1187 | I1143-Y1185 HydrophobicContact CG2-CD2 3.83Å; I1143-Y1185 HydrophobicContact CG2-CE2 4.04Å; D1144-Y1185 PolarHBondContact OD1-OH 3.09Å; R1147-Y1185 HydrophobicContact CB-CD2 4.46Å; I1181-Y1185 HydrophobicContact CG2-CD2 3.57Å; I1181-Y1185 HydrophobicContact CG2-CE2 3.18Å; I1181-Y1185 WeakPolarHBondContact O-CD2 3.47Å; I1181-Y1185 PolarHBondContact O-N 2.97Å; Y1182-Y1185 PolarHBondContact O-N 3.45Å; Y1182-Y1185 VanDerWaalsContact O-N 3.17Å; Y1185-S1187 PolarHBondContact O-N 3.24Å |
| 1186 | T | 79.4 | Confident | 86.9 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 5 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | Y1182 H1183 E1188 | Y1182-T1186 HydrophobicContact CD2-CG2 4.39Å; Y1182-T1186 HydrophobicContact CE1-CG2 4.17Å; Y1182-T1186 HydrophobicContact CE2-CG2 3.93Å; Y1182-T1186 WeakPolarHBondContact O-CG2 3.44Å; Y1182-T1186 PolarHBondContact O-N 3.41Å; Y1182-T1186 PolarHBondContact O-OG1 2.89Å; H1183-T1186 WeakPolarHBondContact CA-OG1 3.43Å; H1183-T1186 PolarHBondContact O-N 3.1Å; H1183-T1186 PolarHBondContact O-OG1 3.05Å; T1186-E1188 VanDerWaalsContact C-N 3.25Å; T1186-E1188 PolarHBondContact O-N 2.97Å |
| 1187 | S | 77.3 | Confident | 86.9 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 15.7 | -178.5 | -52.5 | 0 | 0 | 0 | 0 | 115.5 | H1183 F1184 Y1185 L1189 | H1183-S1187 PolarHBondContact O-N 2.95Å; F1184-S1187 PolarHBondContact O-N 3.28Å; Y1185-S1187 PolarHBondContact O-N 3.24Å; S1187-L1189 VanDerWaalsContact C-N 3.25Å; S1187-L1189 PolarHBondContact O-N 3.04Å |
| 1188 | E | 82 | Confident | 86.8 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | trans | -85.5 | 66.2 | 172.2 | -68.8 | 175 | -172.8 | 0 | 0 | 110.5 | H1183 T1186 S1190 V1191 A1192 N1420 | H1183-E1188 HydrophobicContact CB-CB 4.31Å; H1183-E1188 IonicContact CE1-OE2 3.79Å; H1183-E1188 PolarHBondContact CE1-OE2 3.47Å; H1183-E1188 IonicContact CG-OE2 2.9Å; H1183-E1188 IonicContact ND1-OE2 3.14Å; H1183-E1188 PolarHBondContact ND1-OE2 3.05Å; H1183-E1188 PolarHBondContact O-N 2.89Å; T1186-E1188 VanDerWaalsContact C-N 3.25Å; T1186-E1188 PolarHBondContact O-N 2.97Å; E1188-S1190 VanDerWaalsContact C-N 3.32Å; E1188-S1190 PolarHBondContact O-N 2.7Å; E1188-V1191 HydrophobicContact CB-CB 4.24Å; E1188-V1191 HydrophobicContact CB-CG2 4.32Å; E1188-V1191 PolarHBondContact O-N 3.43Å; E1188-V1191 VanDerWaalsContact O-N 3.12Å; E1188-A1192 PolarHBondContact O-N 3.35Å; E1188-N1420 PolarHBondContact OE1-ND2 3.45Å | ||
| 1189 | L | 82.3 | Confident | 86.5 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -35.3 | -168.6 | -61.6 | 177.6 | 0 | 0 | 0 | 114 | F1184 S1187 A1192 L1193 I1216 P1220 N1222 | F1184-L1189 HydrophobicContact CD2-CD2 4.01Å; F1184-L1189 HydrophobicContact CE2-CD2 4.35Å; S1187-L1189 VanDerWaalsContact C-N 3.25Å; S1187-L1189 PolarHBondContact O-N 3.04Å; L1189-A1192 PolarHBondContact O-N 3.13Å; L1189-L1193 WeakPolarHBondContact O-CB 3.49Å; L1189-L1193 WeakPolarHBondContact O-CG 3.46Å; L1189-L1193 PolarHBondContact O-N 2.8Å; L1189-I1216 HydrophobicContact CB-CG2 4.05Å; L1189-I1216 HydrophobicContact CD2-CG1 4.25Å; L1189-I1216 HydrophobicContact CD2-CG2 4.49Å; L1189-P1220 WeakPolarHBondContact CD1-O 3.25Å; L1189-N1222 HydrophobicContact CD1-CB 4.24Å |
| 1190 | S | 83.5 | Confident | 86.2 | Confident | 95 Ų | 95 | 40.3 Ų | 40.3 | 66% | 0.664 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -65.4 | -40 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 112 | E1188 S1194 | E1188-S1190 VanDerWaalsContact C-N 3.32Å; E1188-S1190 PolarHBondContact O-N 2.7Å; S1190-S1194 PolarHBondContact O-N 3.14Å |
| 1191 | V | 87.1 | Confident | 85.8 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.7 | -43.9 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | H1183 E1188 L1193 S1194 Y1195 | H1183-V1191 HydrophobicContact CB-CB 4.31Å; H1183-V1191 HydrophobicContact CB-CG1 4.26Å; E1188-V1191 HydrophobicContact CB-CB 4.24Å; E1188-V1191 HydrophobicContact CB-CG2 4.32Å; E1188-V1191 PolarHBondContact O-N 3.43Å; E1188-V1191 VanDerWaalsContact O-N 3.12Å; V1191-L1193 PolarHBondContact O-N 2.88Å; V1191-S1194 WeakPolarHBondContact O-CB 3.43Å; V1191-S1194 PolarHBondContact O-N 3.44Å; V1191-S1194 VanDerWaalsContact O-N 3.11Å; V1191-S1194 PolarHBondContact O-OG 3.3Å; V1191-Y1195 HydrophobicContact CG1-CD2 3.87Å; V1191-Y1195 HydrophobicContact CG1-CE2 3.57Å; V1191-Y1195 VanDerWaalsContact O-CD2 3.27Å; V1191-Y1195 WeakPolarHBondContact O-CD2 3.25Å; V1191-Y1195 PolarHBondContact O-N 3.21Å |
| 1192 | A | 88.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1183 F1184 E1188 L1189 S1194 Y1195 F1196 I1216 | H1183-A1192 HydrophobicContact CB-CB 3.91Å; F1184-A1192 HydrophobicContact CB-CB 4.05Å; E1188-A1192 PolarHBondContact O-N 3.35Å; L1189-A1192 PolarHBondContact O-N 3.13Å; A1192-S1194 VanDerWaalsContact C-N 3.29Å; A1192-S1194 PolarHBondContact O-N 3.2Å; A1192-Y1195 PolarHBondContact O-N 3.39Å; A1192-F1196 HydrophobicContact CB-CD2 4.36Å; A1192-F1196 HydrophobicContact CB-CE2 4.04Å; A1192-F1196 WeakPolarHBondContact O-CD2 3.29Å; A1192-F1196 WeakPolarHBondContact O-CG 3.43Å; A1192-F1196 PolarHBondContact O-N 2.76Å; A1192-I1216 HydrophobicContact CB-CD1 4.15Å |
| 1193 | L | 88 | Confident | 85 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 174.9 | -81.9 | 168.6 | 0 | 0 | 0 | 112.2 | L1189 V1191 Y1195 F1196 N1197 M1213 I1216 | L1189-L1193 WeakPolarHBondContact O-CB 3.49Å; L1189-L1193 WeakPolarHBondContact O-CG 3.46Å; L1189-L1193 PolarHBondContact O-N 2.8Å; V1191-L1193 PolarHBondContact O-N 2.88Å; L1193-Y1195 VanDerWaalsContact C-N 3.3Å; L1193-Y1195 PolarHBondContact O-N 2.67Å; L1193-F1196 PolarHBondContact O-N 2.91Å; L1193-N1197 VanDerWaalsContact O-CB 3.29Å; L1193-N1197 WeakPolarHBondContact O-CB 3.13Å; L1193-N1197 PolarHBondContact O-N 2.87Å; L1193-M1213 HydrophobicContact CD2-CB 4.4Å; L1193-M1213 HydrophobicContact CD2-CG 4.32Å; L1193-I1216 HydrophobicContact CD1-CB 4.46Å; L1193-I1216 HydrophobicContact CD1-CG2 3.55Å; L1193-I1216 HydrophobicContact CD2-CB 3.93Å; L1193-I1216 HydrophobicContact CD2-CD1 3.91Å; L1193-I1216 HydrophobicContact CD2-CG2 3.93Å; L1193-I1216 HydrophobicContact CG-CB 4.14Å; L1193-I1216 HydrophobicContact CG-CD1 3.83Å; L1193-I1216 HydrophobicContact CG-CG2 3.65Å |
| 1194 | S | 89.7 | Confident | 84.6 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | -179.9 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | S1190 V1191 A1192 R1198 | S1190-S1194 PolarHBondContact O-N 3.14Å; V1191-S1194 WeakPolarHBondContact O-CB 3.43Å; V1191-S1194 PolarHBondContact O-N 3.44Å; V1191-S1194 VanDerWaalsContact O-N 3.11Å; V1191-S1194 PolarHBondContact O-OG 3.3Å; A1192-S1194 VanDerWaalsContact C-N 3.29Å; A1192-S1194 PolarHBondContact O-N 3.2Å; S1194-R1198 WeakPolarHBondContact O-CG 3.46Å |
| 1195 | Y | 91.4 | Very high | 84.5 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.8 | -43 | 177.6 | -78.5 | -66.2 | 0 | 0 | 0 | 112.7 | N1176 Y1179 H1183 V1191 A1192 L1193 N1197 R1198 C1199 | N1176-Y1195 HydrophobicContact CB-CD1 4.35Å; N1176-Y1195 WeakPolarHBondContact O-CB 3.25Å; N1176-Y1195 WeakPolarHBondContact OD1-CD1 3.36Å; Y1179-Y1195 HydrophobicContact CD2-CE1 4.33Å; Y1179-Y1195 HydrophobicContact CG-CD1 4.43Å; Y1179-Y1195 HydrophobicContact CG-CE1 4.05Å; Y1179-Y1195 HydrophobicContact CG-CE2 4.49Å; H1183-Y1195 AromaticContact CD2-CD2 3.74Å; H1183-Y1195 AromaticContact CD2-CE2 3.53Å; H1183-Y1195 AromaticContact NE2-CE2 3.67Å; V1191-Y1195 HydrophobicContact CG1-CD2 3.87Å; V1191-Y1195 HydrophobicContact CG1-CE2 3.57Å; V1191-Y1195 VanDerWaalsContact O-CD2 3.27Å; V1191-Y1195 WeakPolarHBondContact O-CD2 3.25Å; V1191-Y1195 PolarHBondContact O-N 3.21Å; A1192-Y1195 PolarHBondContact O-N 3.39Å; L1193-Y1195 VanDerWaalsContact C-N 3.3Å; L1193-Y1195 PolarHBondContact O-N 2.67Å; Y1195-N1197 VanDerWaalsContact C-N 3.3Å; Y1195-N1197 PolarHBondContact O-N 3.32Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.37Å; Y1195-R1198 PolarHBondContact O-N 3.47Å; Y1195-R1198 VanDerWaalsContact O-N 3.15Å; Y1195-C1199 PolarHBondContact O-SG 3.03Å |
| 1196 | F | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 175.8 | -67.5 | -48.2 | 0 | 0 | 0 | 112.4 | Y1177 G1180 I1181 F1184 A1192 L1193 R1198 C1199 R1200 A1209 R1212 M1213 I1216 | Y1177-F1196 HydrophobicContact CD2-CD1 4.06Å; Y1177-F1196 AromaticContact CD2-CE1 3.93Å; Y1177-F1196 HydrophobicContact CD2-CE1 3.93Å; Y1177-F1196 HydrophobicContact CE2-CD1 4.39Å; Y1177-F1196 HydrophobicContact CE2-CE1 4.01Å; G1180-F1196 VanDerWaalsContact O-CZ 3.3Å; G1180-F1196 WeakPolarHBondContact O-CZ 3.23Å; I1181-F1196 HydrophobicContact CG1-CE1 4.18Å; I1181-F1196 HydrophobicContact CG1-CZ 4.33Å; F1184-F1196 HydrophobicContact CB-CE2 4.09Å; F1184-F1196 HydrophobicContact CB-CZ 4.2Å; F1184-F1196 HydrophobicContact CG-CE2 4.5Å; A1192-F1196 HydrophobicContact CB-CD2 4.36Å; A1192-F1196 HydrophobicContact CB-CE2 4.04Å; A1192-F1196 WeakPolarHBondContact O-CD2 3.29Å; A1192-F1196 WeakPolarHBondContact O-CG 3.43Å; A1192-F1196 PolarHBondContact O-N 2.76Å; L1193-F1196 PolarHBondContact O-N 2.91Å; F1196-R1198 PolarHBondContact O-N 3.39Å; F1196-C1199 WeakPolarHBondContact O-CB 3.47Å; F1196-C1199 PolarHBondContact O-N 3.1Å; F1196-R1200 PolarHBondContact O-N 3.38Å; F1196-A1209 HydrophobicContact CB-CB 4.43Å; F1196-A1209 HydrophobicContact CD1-CB 4.27Å; F1196-R1212 HydrophobicContact CD2-CB 4.12Å; F1196-R1212 HydrophobicContact CE1-CB 4.17Å; F1196-R1212 HydrophobicContact CE1-CG 4.36Å; F1196-R1212 HydrophobicContact CE2-CB 3.73Å; F1196-R1212 HydrophobicContact CE2-CG 4.48Å; F1196-R1212 HydrophobicContact CZ-CB 3.75Å; F1196-R1212 HydrophobicContact CZ-CG 4.03Å; F1196-M1213 HydrophobicContact CB-CG 3.47Å; F1196-M1213 VanDerWaalsContact CB-CG 3.47Å; F1196-M1213 HydrophobicContact CB-SD 3.88Å; F1196-M1213 HydrophobicContact CD2-CG 4.48Å; F1196-M1213 HydrophobicContact CG-CG 4.3Å; F1196-I1216 HydrophobicContact CD2-CD1 3.95Å; F1196-I1216 HydrophobicContact CE2-CD1 3.95Å |
| 1197 | N | 89.1 | Confident | 84.9 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -29.1 | 176.5 | -167.3 | 37.5 | 0 | 0 | 0 | 112.6 | L1193 Y1195 C1199 R1200 M1213 | L1193-N1197 VanDerWaalsContact O-CB 3.29Å; L1193-N1197 WeakPolarHBondContact O-CB 3.13Å; L1193-N1197 PolarHBondContact O-N 2.87Å; Y1195-N1197 VanDerWaalsContact C-N 3.3Å; Y1195-N1197 PolarHBondContact O-N 3.32Å; N1197-C1199 VanDerWaalsContact C-N 3.27Å; N1197-C1199 PolarHBondContact O-N 3.42Å; N1197-R1200 WeakPolarHBondContact O-CB 3.49Å; N1197-M1213 HydrophobicContact CB-CE 4.04Å |
| 1198 | R | 87.6 | Confident | 85.3 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.8 | -25.6 | 172.9 | -64.9 | 173.2 | -175.2 | -174.9 | -0.9 | 112.8 | N1176 S1194 Y1195 F1196 | N1176-R1198 HydrophobicContact CB-CB 4.3Å; N1176-R1198 WeakPolarHBondContact OD1-CD 3.43Å; N1176-R1198 PolarHBondContact OD1-NH1 2.78Å; S1194-R1198 WeakPolarHBondContact O-CG 3.46Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.37Å; Y1195-R1198 PolarHBondContact O-N 3.47Å; Y1195-R1198 VanDerWaalsContact O-N 3.15Å; F1196-R1198 PolarHBondContact O-N 3.39Å |
| 1199 | C | 85.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.6 | -10.4 | -178.1 | -51.1 | 0 | 0 | 0 | 0 | 113.4 | C1173 N1176 Y1177 Y1195 F1196 N1197 K1201 D1202 A1209 | C1173-C1199 PolarHBondContact O-SG 3.36Å; N1176-C1199 VanDerWaalsContact CB-SG 3.59Å; Y1177-C1199 PolarHBondContact N-SG 2.94Å; Y1195-C1199 PolarHBondContact O-SG 3.03Å; F1196-C1199 WeakPolarHBondContact O-CB 3.47Å; F1196-C1199 PolarHBondContact O-N 3.1Å; N1197-C1199 VanDerWaalsContact C-N 3.27Å; N1197-C1199 PolarHBondContact O-N 3.42Å; C1199-K1201 PolarHBondContact O-N 3.05Å; C1199-D1202 WeakPolarHBondContact O-CB 3.43Å; C1199-D1202 PolarHBondContact O-N 3.41Å; C1199-D1202 VanDerWaalsContact O-N 3.09Å; C1199-A1209 HydrophobicContact CB-CB 3.9Å |
| 1200 | R | 83.5 | Confident | 85.9 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.5 | -170.1 | -176.6 | 176.3 | 169.9 | 174 | 3.9 | 115 | F1196 N1197 S1206 I1210 E1270 | F1196-R1200 PolarHBondContact O-N 3.38Å; N1197-R1200 WeakPolarHBondContact O-CB 3.49Å; R1200-S1206 WeakPolarHBondContact O-CB 3.3Å; R1200-I1210 HydrophobicContact CG-CD1 4.38Å; R1200-I1210 HydrophobicContact CG-CG1 4.37Å; R1200-E1270 IonicContact CZ-OE1 2.66Å; R1200-E1270 IonicContact CZ-OE2 3.42Å; R1200-E1270 IonicContact NE-OE1 3.49Å; R1200-E1270 IonicContact NE-OE2 3.27Å; R1200-E1270 PolarHBondContact NE-OE2 3.21Å; R1200-E1270 IonicContact NH2-OE1 2.91Å; R1200-E1270 PolarHBondContact NH2-OE1 2.72Å; R1200-E1270 IonicContact NH2-OE2 3.4Å; R1200-E1270 PolarHBondContact NH2-OE2 3.03Å |
| 1201 | K | 80 | Confident | 86.1 | Confident | 209 Ų | 209 | 52.1 Ų | 52.1 | 91% | 0.909 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4 | -177.4 | -65.6 | -175.4 | -179.7 | 178.4 | 0 | 114.6 | C1199 | C1199-K1201 PolarHBondContact O-N 3.05Š|
| 1202 | D | 82.8 | Confident | 86.2 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | trans | -86.3 | 133.6 | -172.9 | -176.6 | 75.7 | 0 | 0 | 0 | 112.8 | C1173 C1199 E1204 Y1205 S1206 | C1173-D1202 HydrophobicContact CB-CB 3.85Å; C1199-D1202 WeakPolarHBondContact O-CB 3.43Å; C1199-D1202 PolarHBondContact O-N 3.41Å; C1199-D1202 VanDerWaalsContact O-N 3.09Å; D1202-E1204 VanDerWaalsContact C-N 3.28Å; D1202-E1204 PolarHBondContact O-N 2.9Å; D1202-E1204 WeakPolarHBondContact OD2-CB 3Å; D1202-E1204 PolarHBondContact OD2-N 3.11Å; D1202-Y1205 WeakPolarHBondContact OD2-CD2 3.41Å; D1202-Y1205 PolarHBondContact OD2-N 3.32Å; D1202-Y1205 VanDerWaalsContact OD2-N 3.12Å; D1202-S1206 WeakPolarHBondContact O-CA 3.4Å; D1202-S1206 WeakPolarHBondContact O-CB 3.48Å; D1202-S1206 PolarHBondContact O-N 3.38Å; D1202-S1206 PolarHBondContact O-OG 2.87Å | ||
| 1203 | P | 79.4 | Confident | 86.2 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 63% | 0.63 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.3 | -175.5 | 27.3 | -36.4 | 0 | 0 | 0 | 115 | K1275 | P1203-K1275 PolarHBondContact O-NZ 3.26Š|
| 1204 | E | 79.6 | Confident | 86.1 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 62% | 0.621 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -48.7 | -179.6 | -65.4 | -172.7 | 171.3 | 0 | 0 | 111 | D1202 | D1202-E1204 VanDerWaalsContact C-N 3.28Å; D1202-E1204 PolarHBondContact O-N 2.9Å; D1202-E1204 WeakPolarHBondContact OD2-CB 3Å; D1202-E1204 PolarHBondContact OD2-N 3.11Å |
| 1205 | Y | 84.1 | Confident | 85.8 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -12.2 | -172 | -60.5 | -82.9 | 0 | 0 | 0 | 114.8 | Y1177 D1202 E1207 M1208 A1209 | Y1177-Y1205 AromaticContact CD1-CD1 3.41Å; Y1177-Y1205 HydrophobicContact CD1-CD1 3.41Å; Y1177-Y1205 VanDerWaalsContact CD1-CD1 3.41Å; Y1177-Y1205 AromaticContact CD1-CE1 3.78Å; Y1177-Y1205 HydrophobicContact CD1-CE1 3.78Å; Y1177-Y1205 HydrophobicContact CD1-CG 4.43Å; Y1177-Y1205 HydrophobicContact CD2-CD1 4.29Å; Y1177-Y1205 AromaticContact CE1-CD1 3.88Å; Y1177-Y1205 HydrophobicContact CE1-CD1 3.88Å; Y1177-Y1205 HydrophobicContact CE1-CE1 4.27Å; Y1177-Y1205 AromaticContact CG-CD1 3.64Å; Y1177-Y1205 HydrophobicContact CG-CD1 3.64Å; Y1177-Y1205 HydrophobicContact CG-CE1 4.36Å; Y1177-Y1205 HydrophobicContact CG-CG 4.25Å; D1202-Y1205 WeakPolarHBondContact OD2-CD2 3.41Å; D1202-Y1205 PolarHBondContact OD2-N 3.32Å; D1202-Y1205 VanDerWaalsContact OD2-N 3.12Å; Y1205-E1207 PolarHBondContact O-N 3.28Å; Y1205-M1208 PolarHBondContact O-N 2.61Å; Y1205-A1209 VanDerWaalsContact O-CB 3.22Å; Y1205-A1209 WeakPolarHBondContact O-CB 3.32Å; Y1205-A1209 PolarHBondContact O-N 3.45Å |
| 1206 | S | 85.2 | Confident | 85.5 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | -175.8 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | R1200 D1202 M1208 A1209 I1210 | R1200-S1206 WeakPolarHBondContact O-CB 3.3Å; D1202-S1206 WeakPolarHBondContact O-CA 3.4Å; D1202-S1206 WeakPolarHBondContact O-CB 3.48Å; D1202-S1206 PolarHBondContact O-N 3.38Å; D1202-S1206 PolarHBondContact O-OG 2.87Å; S1206-M1208 VanDerWaalsContact C-N 3.35Å; S1206-M1208 PolarHBondContact O-N 3.29Å; S1206-A1209 PolarHBondContact O-N 2.94Å; S1206-I1210 VanDerWaalsContact O-CB 3.23Å; S1206-I1210 WeakPolarHBondContact O-CB 3.49Å; S1206-I1210 VanDerWaalsContact O-CG1 3.26Å; S1206-I1210 WeakPolarHBondContact O-CG1 3.27Å; S1206-I1210 PolarHBondContact O-N 2.74Å |
| 1207 | E | 85.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | -177.3 | -173.9 | 175 | 176.5 | 0 | 0 | 111.4 | Y1205 Y1211 L1271 K1275 F1276 | Y1205-E1207 PolarHBondContact O-N 3.28Å; E1207-Y1211 HydrophobicContact CG-CD2 4.2Å; E1207-Y1211 HydrophobicContact CG-CE1 4.43Å; E1207-Y1211 HydrophobicContact CG-CE2 3.44Å; E1207-Y1211 VanDerWaalsContact CG-CE2 3.44Å; E1207-Y1211 WeakPolarHBondContact CG-OH 3.14Å; E1207-Y1211 VanDerWaalsContact O-CD2 3.3Å; E1207-Y1211 WeakPolarHBondContact O-CD2 3.26Å; E1207-Y1211 VanDerWaalsContact O-CG 3.25Å; E1207-Y1211 PolarHBondContact O-N 2.92Å; E1207-Y1211 PolarHBondContact OE1-OH 3.01Å; E1207-L1271 HydrophobicContact CB-CD2 4.19Å; E1207-L1271 HydrophobicContact CG-CD2 4.43Å; E1207-K1275 WeakPolarHBondContact OE2-CA 3.31Å; E1207-K1275 WeakPolarHBondContact OE2-CB 3.4Å; E1207-K1275 PolarHBondContact OE2-N 3.47Å; E1207-F1276 PolarHBondContact OE1-N 2.93Å |
| 1208 | M | 85.6 | Confident | 84.7 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.2 | -41.1 | 179.2 | -65.1 | -61 | 150.7 | 0 | 0 | 112.6 | Y1177 Y1205 S1206 I1210 Y1211 R1212 F1276 | Y1177-M1208 HydrophobicContact CE2-CB 4.02Å; Y1177-M1208 WeakPolarHBondContact OH-CB 3.42Å; Y1205-M1208 PolarHBondContact O-N 2.61Å; S1206-M1208 VanDerWaalsContact C-N 3.35Å; S1206-M1208 PolarHBondContact O-N 3.29Å; M1208-I1210 VanDerWaalsContact C-N 3.34Å; M1208-I1210 PolarHBondContact O-N 3.28Å; M1208-Y1211 HydrophobicContact CE-CD2 4.47Å; M1208-Y1211 HydrophobicContact CE-CE2 4.41Å; M1208-Y1211 PolarHBondContact O-N 3.04Å; M1208-Y1211 HydrophobicContact SD-CD2 4.15Å; M1208-R1212 WeakPolarHBondContact O-CG 3.39Å; M1208-R1212 PolarHBondContact O-N 3.45Å; M1208-F1276 HydrophobicContact CE-CD2 3.14Å; M1208-F1276 HydrophobicContact CE-CE2 3.14Å; M1208-F1276 HydrophobicContact CE-CG 4.01Å; M1208-F1276 HydrophobicContact CE-CZ 4.01Å |
| 1209 | A | 88.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1177 F1196 C1199 Y1205 S1206 R1212 M1213 | Y1177-A1209 HydrophobicContact CD2-CB 4.23Å; Y1177-A1209 HydrophobicContact CE2-CB 4.41Å; F1196-A1209 HydrophobicContact CB-CB 4.43Å; F1196-A1209 HydrophobicContact CD1-CB 4.27Å; C1199-A1209 HydrophobicContact CB-CB 3.9Å; Y1205-A1209 VanDerWaalsContact O-CB 3.22Å; Y1205-A1209 WeakPolarHBondContact O-CB 3.32Å; Y1205-A1209 PolarHBondContact O-N 3.45Å; S1206-A1209 PolarHBondContact O-N 2.94Å; A1209-R1212 PolarHBondContact O-N 3.43Å; A1209-M1213 WeakPolarHBondContact O-CB 3.46Å; A1209-M1213 WeakPolarHBondContact O-CG 3.24Å; A1209-M1213 PolarHBondContact O-N 3.22Å |
| 1210 | I | 89 | Confident | 83.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 176.2 | -75.7 | 166.2 | 0 | 0 | 0 | 110.7 | R1200 S1206 M1208 R1212 M1213 V1214 L1267 L1268 L1271 | R1200-I1210 HydrophobicContact CG-CD1 4.38Å; R1200-I1210 HydrophobicContact CG-CG1 4.37Å; S1206-I1210 VanDerWaalsContact O-CB 3.23Å; S1206-I1210 WeakPolarHBondContact O-CB 3.49Å; S1206-I1210 VanDerWaalsContact O-CG1 3.26Å; S1206-I1210 WeakPolarHBondContact O-CG1 3.27Å; S1206-I1210 PolarHBondContact O-N 2.74Å; M1208-I1210 VanDerWaalsContact C-N 3.34Å; M1208-I1210 PolarHBondContact O-N 3.28Å; I1210-R1212 VanDerWaalsContact C-N 3.34Å; I1210-R1212 PolarHBondContact O-N 3.38Å; I1210-M1213 PolarHBondContact O-N 3.46Å; I1210-V1214 HydrophobicContact CG2-CG2 4.25Å; I1210-V1214 WeakPolarHBondContact O-CB 3.36Å; I1210-V1214 WeakPolarHBondContact O-CG2 3.44Å; I1210-V1214 PolarHBondContact O-N 3.46Å; I1210-L1267 HydrophobicContact CG2-CB 4.11Å; I1210-L1268 HydrophobicContact CG2-CD2 4.27Å; I1210-L1271 HydrophobicContact CB-CD2 4.38Å; I1210-L1271 HydrophobicContact CD1-CD2 3.5Å; I1210-L1271 VanDerWaalsContact CD1-CD2 3.5Å; I1210-L1271 HydrophobicContact CD1-CG 3.94Å; I1210-L1271 HydrophobicContact CG2-CD1 3.99Å; I1210-L1271 HydrophobicContact CG2-CD2 4.49Å; I1210-L1271 HydrophobicContact CG2-CG 4.25Å |
| 1211 | Y | 88.3 | Confident | 82.7 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 174.6 | -66.2 | -28.2 | 0 | 0 | 0 | 112.2 | E1207 M1208 V1214 E1215 L1268 L1271 R1279 Y1280 V1283 | E1207-Y1211 HydrophobicContact CG-CD2 4.2Å; E1207-Y1211 HydrophobicContact CG-CE1 4.43Å; E1207-Y1211 HydrophobicContact CG-CE2 3.44Å; E1207-Y1211 VanDerWaalsContact CG-CE2 3.44Å; E1207-Y1211 WeakPolarHBondContact CG-OH 3.14Å; E1207-Y1211 VanDerWaalsContact O-CD2 3.3Å; E1207-Y1211 WeakPolarHBondContact O-CD2 3.26Å; E1207-Y1211 VanDerWaalsContact O-CG 3.25Å; E1207-Y1211 PolarHBondContact O-N 2.92Å; E1207-Y1211 PolarHBondContact OE1-OH 3.01Å; M1208-Y1211 HydrophobicContact CE-CD2 4.47Å; M1208-Y1211 HydrophobicContact CE-CE2 4.41Å; M1208-Y1211 PolarHBondContact O-N 3.04Å; M1208-Y1211 HydrophobicContact SD-CD2 4.15Å; Y1211-V1214 PolarHBondContact O-N 3.36Å; Y1211-E1215 WeakPolarHBondContact O-CG 3.46Å; Y1211-E1215 PolarHBondContact O-N 3.25Å; Y1211-L1268 HydrophobicContact CD1-CD2 4.31Å; Y1211-L1268 HydrophobicContact CE1-CD2 4.24Å; Y1211-L1271 HydrophobicContact CE1-CD1 4.15Å; Y1211-R1279 HydrophobicContact CD2-CG 3.94Å; Y1211-R1279 HydrophobicContact CE2-CB 4.15Å; Y1211-R1279 HydrophobicContact CE2-CG 3.7Å; Y1211-Y1280 HydrophobicContact CE1-CD2 4.32Å; Y1211-Y1280 WeakPolarHBondContact OH-CA 3.47Å; Y1211-Y1280 VanDerWaalsContact OH-CB 3.29Å; Y1211-Y1280 WeakPolarHBondContact OH-CB 3.32Å; Y1211-Y1280 PolarHBondContact OH-N 2.9Å; Y1211-V1283 HydrophobicContact CD1-CB 4.2Å; Y1211-V1283 HydrophobicContact CD1-CG1 4.03Å; Y1211-V1283 HydrophobicContact CD1-CG2 4.03Å; Y1211-V1283 HydrophobicContact CE1-CB 4.39Å; Y1211-V1283 HydrophobicContact CE1-CG2 4.41Å; Y1211-V1283 HydrophobicContact CG-CG2 4.33Å |
| 1212 | R | 87.6 | Confident | 82.1 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 175.5 | -64.5 | -56.7 | -176 | -157.5 | 3.8 | 112.6 | F1196 M1208 A1209 I1210 V1214 E1215 I1216 E1352 | F1196-R1212 HydrophobicContact CD2-CB 4.12Å; F1196-R1212 HydrophobicContact CE1-CB 4.17Å; F1196-R1212 HydrophobicContact CE1-CG 4.36Å; F1196-R1212 HydrophobicContact CE2-CB 3.73Å; F1196-R1212 HydrophobicContact CE2-CG 4.48Å; F1196-R1212 HydrophobicContact CZ-CB 3.75Å; F1196-R1212 HydrophobicContact CZ-CG 4.03Å; M1208-R1212 WeakPolarHBondContact O-CG 3.39Å; M1208-R1212 PolarHBondContact O-N 3.45Å; A1209-R1212 PolarHBondContact O-N 3.43Å; I1210-R1212 VanDerWaalsContact C-N 3.34Å; I1210-R1212 PolarHBondContact O-N 3.38Å; R1212-V1214 VanDerWaalsContact C-N 3.34Å; R1212-V1214 PolarHBondContact O-N 3.07Å; R1212-E1215 WeakPolarHBondContact CD-OE2 3.24Å; R1212-E1215 IonicContact CZ-OE2 2.86Å; R1212-E1215 IonicContact NH1-OE1 2.69Å; R1212-E1215 PolarHBondContact NH1-OE1 2.97Å; R1212-E1215 IonicContact NH1-OE2 2.92Å; R1212-E1215 PolarHBondContact NH1-OE2 3.35Å; R1212-E1215 PolarHBondContact O-N 3.38Å; R1212-I1216 VanDerWaalsContact O-CG1 3.3Å; R1212-I1216 WeakPolarHBondContact O-CG1 3.5Å; R1212-I1216 PolarHBondContact O-N 3.03Å; R1212-E1352 IonicContact CZ-OE1 3.72Å; R1212-E1352 IonicContact CZ-OE2 3.41Å; R1212-E1352 IonicContact NH1-OE1 2.65Å; R1212-E1352 PolarHBondContact NH1-OE1 3.19Å; R1212-E1352 IonicContact NH1-OE2 3.46Å; R1212-E1352 PolarHBondContact NH1-OE2 2.72Å; R1212-E1352 IonicContact NH2-OE1 3.93Å; R1212-E1352 PolarHBondContact NH2-OE1 3.05Å; R1212-E1352 IonicContact NH2-OE2 3.34Å |
| 1213 | M | 88.7 | Confident | 81.5 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.4 | -70.3 | 170.2 | 73.8 | 0 | 0 | 111.3 | L1193 F1196 N1197 A1209 I1210 E1215 I1216 C1217 L1267 | L1193-M1213 HydrophobicContact CD2-CB 4.4Å; L1193-M1213 HydrophobicContact CD2-CG 4.32Å; F1196-M1213 HydrophobicContact CB-CG 3.47Å; F1196-M1213 VanDerWaalsContact CB-CG 3.47Å; F1196-M1213 HydrophobicContact CB-SD 3.88Å; F1196-M1213 HydrophobicContact CD2-CG 4.48Å; F1196-M1213 HydrophobicContact CG-CG 4.3Å; N1197-M1213 HydrophobicContact CB-CE 4.04Å; A1209-M1213 WeakPolarHBondContact O-CB 3.46Å; A1209-M1213 WeakPolarHBondContact O-CG 3.24Å; A1209-M1213 PolarHBondContact O-N 3.22Å; I1210-M1213 PolarHBondContact O-N 3.46Å; M1213-E1215 VanDerWaalsContact C-N 3.35Å; M1213-I1216 PolarHBondContact O-N 3.17Å; M1213-C1217 WeakPolarHBondContact O-CB 3.39Å; M1213-C1217 PolarHBondContact O-N 3.05Å; M1213-C1217 PolarHBondContact O-SG 2.9Å; M1213-L1267 HydrophobicContact CB-CD1 3.82Å; M1213-L1267 HydrophobicContact CE-CD1 4.02Å; M1213-L1267 HydrophobicContact CE-CD2 3.65Å; M1213-L1267 HydrophobicContact SD-CD2 4.33Å |
| 1214 | V | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | I1210 Y1211 R1212 I1216 C1217 I1218 A1264 L1267 L1268 V1283 | I1210-V1214 HydrophobicContact CG2-CG2 4.25Å; I1210-V1214 WeakPolarHBondContact O-CB 3.36Å; I1210-V1214 WeakPolarHBondContact O-CG2 3.44Å; I1210-V1214 PolarHBondContact O-N 3.46Å; Y1211-V1214 PolarHBondContact O-N 3.36Å; R1212-V1214 VanDerWaalsContact C-N 3.34Å; R1212-V1214 PolarHBondContact O-N 3.07Å; V1214-I1216 VanDerWaalsContact C-N 3.33Å; V1214-I1216 PolarHBondContact O-N 3.08Å; V1214-C1217 PolarHBondContact O-N 3.35Å; V1214-I1218 HydrophobicContact CG1-CD1 3.5Å; V1214-I1218 HydrophobicContact CG1-CG1 4.25Å; V1214-I1218 WeakPolarHBondContact O-CB 3.29Å; V1214-I1218 WeakPolarHBondContact O-CD1 3.49Å; V1214-I1218 WeakPolarHBondContact O-CG1 3.44Å; V1214-I1218 PolarHBondContact O-N 3.28Å; V1214-A1264 HydrophobicContact CG1-CB 4.17Å; V1214-A1264 HydrophobicContact CG2-CB 4.26Å; V1214-L1267 HydrophobicContact CG2-CB 4.13Å; V1214-L1267 HydrophobicContact CG2-CD1 4.46Å; V1214-L1268 HydrophobicContact CG2-CD2 4.04Å; V1214-L1268 HydrophobicContact CG2-CG 3.93Å; V1214-V1283 HydrophobicContact CB-CG1 4.37Å; V1214-V1283 HydrophobicContact CG1-CG1 3.69Å |
| 1215 | E | 83.3 | Confident | 80.1 | Confident | 31 Ų | 31 | 31.8 Ų | 31.8 | 15% | 0.145 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 174.6 | -75 | 174.6 | 177.8 | 0 | 0 | 112.4 | Y1211 R1212 M1213 N1219 R1279 | Y1211-E1215 WeakPolarHBondContact O-CG 3.46Å; Y1211-E1215 PolarHBondContact O-N 3.25Å; R1212-E1215 WeakPolarHBondContact CD-OE2 3.24Å; R1212-E1215 IonicContact CZ-OE2 2.86Å; R1212-E1215 IonicContact NH1-OE1 2.69Å; R1212-E1215 PolarHBondContact NH1-OE1 2.97Å; R1212-E1215 IonicContact NH1-OE2 2.92Å; R1212-E1215 PolarHBondContact NH1-OE2 3.35Å; R1212-E1215 PolarHBondContact O-N 3.38Å; M1213-E1215 VanDerWaalsContact C-N 3.35Å; E1215-N1219 PolarHBondContact O-N 3.3Å; E1215-R1279 IonicContact OE1-NH2 3.86Å; E1215-R1279 PolarHBondContact OE1-NH2 3.47Å |
| 1216 | I | 84.8 | Confident | 78.9 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.2 | -43.3 | 176.7 | -59.1 | 166.2 | 0 | 0 | 0 | 111.3 | F1184 L1189 A1192 L1193 F1196 R1212 M1213 V1214 I1218 N1219 | F1184-I1216 HydrophobicContact CD2-CD1 3.85Å; F1184-I1216 HydrophobicContact CD2-CG1 3.77Å; F1184-I1216 HydrophobicContact CE2-CD1 4.28Å; F1184-I1216 HydrophobicContact CE2-CG1 3.71Å; L1189-I1216 HydrophobicContact CB-CG2 4.05Å; L1189-I1216 HydrophobicContact CD2-CG1 4.25Å; L1189-I1216 HydrophobicContact CD2-CG2 4.49Å; A1192-I1216 HydrophobicContact CB-CD1 4.15Å; L1193-I1216 HydrophobicContact CD1-CB 4.46Å; L1193-I1216 HydrophobicContact CD1-CG2 3.55Å; L1193-I1216 HydrophobicContact CD2-CB 3.93Å; L1193-I1216 HydrophobicContact CD2-CD1 3.91Å; L1193-I1216 HydrophobicContact CD2-CG2 3.93Å; L1193-I1216 HydrophobicContact CG-CB 4.14Å; L1193-I1216 HydrophobicContact CG-CD1 3.83Å; L1193-I1216 HydrophobicContact CG-CG2 3.65Å; F1196-I1216 HydrophobicContact CD2-CD1 3.95Å; F1196-I1216 HydrophobicContact CE2-CD1 3.95Å; R1212-I1216 VanDerWaalsContact O-CG1 3.3Å; R1212-I1216 WeakPolarHBondContact O-CG1 3.5Å; R1212-I1216 PolarHBondContact O-N 3.03Å; M1213-I1216 PolarHBondContact O-N 3.17Å; V1214-I1216 VanDerWaalsContact C-N 3.33Å; V1214-I1216 PolarHBondContact O-N 3.08Å; I1216-I1218 VanDerWaalsContact C-N 3.32Å; I1216-I1218 PolarHBondContact O-N 3.05Å; I1216-N1219 CarbonylContact O-C 3.57Å; I1216-N1219 VanDerWaalsContact O-C 3.25Å; I1216-N1219 PolarHBondContact O-N 3.24Å |
| 1217 | C | 83.6 | Confident | 77.7 | Confident | 23 Ų | 23 | 31.6 Ų | 31.6 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | 178.9 | -75.6 | 0 | 0 | 0 | 0 | 112.7 | M1213 V1214 G1260 A1264 | M1213-C1217 WeakPolarHBondContact O-CB 3.39Å; M1213-C1217 PolarHBondContact O-N 3.05Å; M1213-C1217 PolarHBondContact O-SG 2.9Å; V1214-C1217 PolarHBondContact O-N 3.35Å; C1217-G1260 WeakPolarHBondContact CB-O 3.38Å; C1217-A1264 HydrophobicContact CB-CB 3.95Å |
| 1218 | I | 79.1 | Confident | 76.1 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.9 | -30.7 | 178 | -71.8 | 169.9 | 0 | 0 | 0 | 111.8 | V1214 I1216 L1225 A1264 L1287 T1290 | V1214-I1218 HydrophobicContact CG1-CD1 3.5Å; V1214-I1218 HydrophobicContact CG1-CG1 4.25Å; V1214-I1218 WeakPolarHBondContact O-CB 3.29Å; V1214-I1218 WeakPolarHBondContact O-CD1 3.49Å; V1214-I1218 WeakPolarHBondContact O-CG1 3.44Å; V1214-I1218 PolarHBondContact O-N 3.28Å; I1216-I1218 VanDerWaalsContact C-N 3.32Å; I1216-I1218 PolarHBondContact O-N 3.05Å; I1218-L1225 HydrophobicContact CG2-CD1 4.11Å; I1218-L1225 HydrophobicContact CG2-CD2 4Å; I1218-A1264 HydrophobicContact CG1-CB 4.49Å; I1218-L1287 HydrophobicContact CD1-CB 4Å; I1218-L1287 HydrophobicContact CD1-CD1 3.84Å; I1218-L1287 HydrophobicContact CG1-CD1 3.7Å; I1218-T1290 HydrophobicContact CG2-CG2 3.29Å |
| 1219 | N | 76.9 | Confident | 74.2 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | trans | -141 | 72.8 | -171.6 | -173.8 | 24.4 | 0 | 0 | 0 | 112.5 | E1215 I1216 D1221 N1222 Q1223 | E1215-N1219 PolarHBondContact O-N 3.3Å; I1216-N1219 CarbonylContact O-C 3.57Å; I1216-N1219 VanDerWaalsContact O-C 3.25Å; I1216-N1219 PolarHBondContact O-N 3.24Å; N1219-D1221 PolarHBondContact O-N 2.93Å; N1219-N1222 PolarHBondContact O-N 3.36Å; N1219-Q1223 PolarHBondContact ND2-N 3.49Å; N1219-Q1223 PolarHBondContact ND2-O 3.37Å; N1219-Q1223 PolarHBondContact OD1-N 3.12Å; N1219-Q1223 PolarHBondContact OD1-O 3.49Å | ||
| 1220 | P | 71.5 | Confident | 71.7 | Confident | 71 Ų | 71 | 47.3 Ų | 47.3 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.4 | -175.7 | 24.9 | -33.6 | 0 | 0 | 0 | 114 | L1189 | L1189-P1220 WeakPolarHBondContact CD1-O 3.25Š|
| 1221 | D | 65.7 | Low | 68.9 | Low | 113 Ų | 113 | 50.9 Ų | 50.9 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.9 | -179.8 | -62.8 | -26.8 | 0 | 0 | 0 | 113.3 | N1219 Q1223 | N1219-D1221 PolarHBondContact O-N 2.93Å; D1221-Q1223 HydrophobicContact CB-CG 3.92Å; D1221-Q1223 PolarHBondContact O-N 2.89Å; D1221-Q1223 VanDerWaalsContact O-N 3.08Å |
| 1222 | N | 68.6 | Low | 66.1 | Low | 80 Ų | 80 | 59 Ų | 59 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | trans | 50.6 | 28.1 | -172.2 | -155.8 | 11.3 | 0 | 0 | 0 | 114 | L1189 N1219 | L1189-N1222 HydrophobicContact CD1-CB 4.24Å; N1219-N1222 PolarHBondContact O-N 3.36Å | ||
| 1223 | Q | 68.9 | Low | 63.2 | Low | 77 Ų | 77 | 61.6 Ų | 61.6 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | trans | -84.9 | 153.4 | 179.1 | -68 | -173.8 | 19.8 | 0 | 0 | 110.8 | N1219 D1221 L1225 | N1219-Q1223 PolarHBondContact ND2-N 3.49Å; N1219-Q1223 PolarHBondContact ND2-O 3.37Å; N1219-Q1223 PolarHBondContact OD1-N 3.12Å; N1219-Q1223 PolarHBondContact OD1-O 3.49Å; D1221-Q1223 HydrophobicContact CB-CG 3.92Å; D1221-Q1223 PolarHBondContact O-N 2.89Å; D1221-Q1223 VanDerWaalsContact O-N 3.08Å; Q1223-L1225 PolarHBondContact O-N 3Å | ||
| 1224 | L | 68.4 | Low | 60.3 | Low | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | trans | -65.9 | 114.2 | -178.7 | -157.9 | 79.7 | 0 | 0 | 0 | 109.1 | G1226 T1227 L1359 L1360 | L1224-G1226 PolarHBondContact O-N 3.42Å; L1224-T1227 HydrophobicContact CB-CG2 3.96Å; L1224-T1227 HydrophobicContact CD2-CG2 4.07Å; L1224-T1227 PolarHBondContact O-N 3.43Å; L1224-T1227 PolarHBondContact O-OG1 2.93Å; L1224-L1359 HydrophobicContact CD1-CB 4.05Å; L1224-L1359 HydrophobicContact CD1-CD1 4.44Å; L1224-L1359 HydrophobicContact CD2-CB 4.16Å; L1224-L1360 HydrophobicContact CD2-CB 4.21Å; L1224-L1360 HydrophobicContact CD2-CD2 3.36Å; L1224-L1360 HydrophobicContact CD2-CG 3.6Å; L1224-L1360 HydrophobicContact CG-CD2 3.75Å; L1224-L1360 HydrophobicContact CG-CG 3.99Å | ||
| 1225 | L | 62.3 | Low | 57.4 | Low | 31 Ų | 31 | 74 Ų | 74 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 115.2 | -178.6 | -83.7 | 153.1 | 0 | 0 | 0 | 110.7 | I1218 Q1223 T1290 V1323 | I1218-L1225 HydrophobicContact CG2-CD1 4.11Å; I1218-L1225 HydrophobicContact CG2-CD2 4Å; Q1223-L1225 PolarHBondContact O-N 3Å; L1225-T1290 HydrophobicContact CD2-CG2 3.99Å; L1225-V1323 HydrophobicContact CB-CG1 4.35Å |
| 1226 | G | 58.5 | Low | 54.8 | Low | 31 Ų | 31 | 80 Ų | 80 | 32% | 0.32 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.8 | -8.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1224 I1326 | L1224-G1226 PolarHBondContact O-N 3.42Å; G1226-I1326 WeakPolarHBondContact O-CG2 3.48Å |
| 1227 | T | 59.8 | Low | 52 | Low | 23 Ų | 23 | 86.7 Ų | 86.7 | 14% | 0.141 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 131.3 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L1224 D1363 | L1224-T1227 HydrophobicContact CB-CG2 3.96Å; L1224-T1227 HydrophobicContact CD2-CG2 4.07Å; L1224-T1227 PolarHBondContact O-N 3.43Å; L1224-T1227 PolarHBondContact O-OG1 2.93Å; T1227-D1363 HydrophobicContact CG2-CB 4.42Å |
| 1228 | E | 52.1 | Low | 49.4 | Very low | 154 Ų | 154 | 91 Ų | 91 | 72% | 0.72 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 139.5 | 167.5 | -69.9 | -174.5 | 172.4 | 0 | 0 | 109.4 | F1230 | E1228-F1230 PolarHBondContact O-N 3.22Š|
| 1229 | P | 45.3 | Very low | 47 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 116.5 | 174.8 | 14.2 | -17.5 | 0 | 0 | 0 | 108.8 | S1231 | P1229-S1231 PolarHBondContact O-N 2.92Š|
| 1230 | F | 35.9 | Very low | 44.6 | Very low | 155 Ų | 155 | 103.3 Ų | 103.3 | 68% | 0.68 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -68.2 | 22.4 | -176.1 | -105.8 | -81.9 | 0 | 0 | 0 | 114.4 | E1228 | E1228-F1230 PolarHBondContact O-N 3.22Š|
| 1231 | S | 30.3 | Very low | 42.6 | Very low | 77 Ų | 77 | 104.8 Ų | 104.8 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -131.2 | 75.4 | -172.3 | 55.4 | 0 | 0 | 0 | 0 | 111 | P1229 | P1229-S1231 PolarHBondContact O-N 2.92Š|
| 1232 | Q | 29.1 | Very low | 40.8 | Very low | 176 Ų | 176 | 107 Ų | 107 | 82% | 0.822 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -175.2 | -4.8 | 145.2 | -101.6 | 172.6 | 23.3 | 0 | 0 | 113.4 | N1234 T1235 | Q1232-N1234 PolarHBondContact O-N 3.5Å; Q1232-N1234 VanDerWaalsContact O-N 3.09Å; Q1232-T1235 PolarHBondContact O-OG1 2.98Å |
| 1233 | S | 28 | Very low | 39 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 66.7 | 176.5 | 65.1 | 0 | 0 | 0 | 0 | 113 | ||
| 1234 | N | 26.9 | Very low | 37.2 | Very low | 159 Ų | 159 | 111.6 Ų | 111.6 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 23.2 | 149.3 | -102.5 | -7.1 | 0 | 0 | 0 | 111.3 | Q1232 | Q1232-N1234 PolarHBondContact O-N 3.5Å; Q1232-N1234 VanDerWaalsContact O-N 3.09Å |
| 1235 | T | 26.8 | Very low | 35.5 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | trans | -123.1 | 73.5 | 168.8 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | Q1232 | Q1232-T1235 PolarHBondContact O-OG1 2.98Š| ||
| 1236 | N | 27.4 | Very low | 34.2 | Very low | 159 Ų | 159 | 122.7 Ų | 122.7 | 85% | 0.85 | 68% | 0.681 | S | S | * | * | trans | -135.2 | 56.5 | 159.1 | -89.5 | -21.4 | 0 | 0 | 0 | 107.4 | ||||
| 1237 | D | 27.8 | Very low | 33.1 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.9 | 95.4 | 137.9 | -104.5 | -37.7 | 0 | 0 | 0 | 106.9 | ||
| 1238 | N | 27.6 | Very low | 32 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | trans | 57.3 | 111.2 | 134.4 | -68.5 | -53.8 | 0 | 0 | 0 | 119.1 | ||||
| 1239 | K | 28.9 | Very low | 31.4 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | 74.3 | 124.9 | 135.8 | -62.4 | 174.8 | 179.2 | 175 | 0 | 116.8 | ||||
| 1240 | S | 26.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | 60.5 | 92.2 | 141.2 | 61 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1241 | S | 30.8 | Very low | 31.9 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -148.6 | 102.5 | 135.9 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | N1243 | S1241-N1243 PolarHBondContact O-N 3.09Š| ||
| 1242 | N | 26.6 | Very low | 33 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | -60.3 | 99.4 | 164.8 | -74.3 | -24.8 | 0 | 0 | 0 | 108.3 | ||||
| 1243 | N | 30.5 | Very low | 34.4 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -119 | 111.6 | 161.8 | -86.7 | -12.8 | 0 | 0 | 0 | 108.3 | S1241 N1245 | S1241-N1243 PolarHBondContact O-N 3.09Å; N1243-N1245 PolarHBondContact O-N 3.18Å | ||
| 1244 | T | 31.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 30.3 | -166 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1245 | N | 32 | Very low | 37.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -6.6 | -176 | -70.3 | -8.7 | 0 | 0 | 0 | 115.2 | N1243 | N1243-N1245 PolarHBondContact O-N 3.18Š|
| 1246 | D | 36.1 | Very low | 39.5 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -95 | 5 | -176.7 | -81.8 | -25.7 | 0 | 0 | 0 | 115.3 | N1248 | D1246-N1248 PolarHBondContact O-N 3.24Š|
| 1247 | L | 34.8 | Very low | 41.4 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -71.8 | -12.1 | 179.5 | -80 | 151.9 | 0 | 0 | 0 | 114 | ||
| 1248 | N | 37.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -92.2 | -23.2 | -175.4 | -76.8 | -11.3 | 0 | 0 | 0 | 115.3 | D1246 | D1246-N1248 PolarHBondContact O-N 3.24Š|
| 1249 | Y | 39.4 | Very low | 45.9 | Very low | 169 Ų | 169 | 117.4 Ų | 117.4 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.5 | -31.9 | -173.1 | -161 | -99.3 | 0 | 0 | 0 | 113.5 | L1253 | Y1249-L1253 HydrophobicContact CD1-CD1 3.97Å; Y1249-L1253 HydrophobicContact CE1-CD1 3.79Å |
| 1250 | G | 45 | Very low | 48.2 | Very low | 42 Ų | 42 | 109.2 Ų | 109.2 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.8 | -30.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1254 | G1250-T1254 PolarHBondContact O-N 2.73Å; G1250-T1254 PolarHBondContact O-OG1 3.38Å |
| 1251 | D | 45.6 | Very low | 50.7 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.9 | -34.9 | 178.1 | -86.3 | -1.1 | 0 | 0 | 0 | 112.2 | R1255 | D1251-R1255 WeakPolarHBondContact O-CB 3.48Å; D1251-R1255 VanDerWaalsContact O-CG 3.24Å; D1251-R1255 WeakPolarHBondContact O-CG 3.45Å; D1251-R1255 PolarHBondContact O-N 3.13Å |
| 1252 | E | 54.1 | Low | 53.1 | Low | 117 Ų | 117 | 105 Ų | 105 | 55% | 0.547 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 178.3 | -75.6 | -174.8 | 166.8 | 0 | 0 | 112.8 | T1254 R1255 N1256 | E1252-T1254 VanDerWaalsContact C-N 3.34Å; E1252-T1254 PolarHBondContact O-N 3.38Å; E1252-R1255 PolarHBondContact O-N 3.09Å; E1252-N1256 WeakPolarHBondContact O-CB 3.33Å; E1252-N1256 VanDerWaalsContact O-CG 3.22Å; E1252-N1256 PolarHBondContact O-N 3.19Å; E1252-N1256 PolarHBondContact O-ND2 2.93Å |
| 1253 | L | 57.3 | Low | 55.9 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.9 | -83.3 | 154.2 | 0 | 0 | 0 | 112 | Y1249 N1256 Y1257 | Y1249-L1253 HydrophobicContact CD1-CD1 3.97Å; Y1249-L1253 HydrophobicContact CE1-CD1 3.79Å; L1253-N1256 PolarHBondContact O-N 3.31Å; L1253-Y1257 WeakPolarHBondContact O-CB 3.45Å; L1253-Y1257 PolarHBondContact O-N 3.25Å |
| 1254 | T | 61 | Low | 58.5 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 178.6 | -50 | 0 | 0 | 0 | 0 | 111.4 | G1250 E1252 Y1257 N1258 | G1250-T1254 PolarHBondContact O-N 2.73Å; G1250-T1254 PolarHBondContact O-OG1 3.38Å; E1252-T1254 VanDerWaalsContact C-N 3.34Å; E1252-T1254 PolarHBondContact O-N 3.38Å; T1254-Y1257 PolarHBondContact O-N 3.42Å; T1254-N1258 VanDerWaalsContact O-CG 3.3Å; T1254-N1258 PolarHBondContact O-N 3.3Å; T1254-N1258 VanDerWaalsContact O-N 3.09Å; T1254-N1258 PolarHBondContact O-ND2 3.42Å |
| 1255 | R | 61.4 | Low | 60.9 | Low | 164 Ų | 164 | 91.6 Ų | 91.6 | 62% | 0.619 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 173.2 | -78.9 | 177.2 | -174.9 | -174.4 | 4.7 | 112 | D1251 E1252 Y1257 N1258 I1259 | D1251-R1255 WeakPolarHBondContact O-CB 3.48Å; D1251-R1255 VanDerWaalsContact O-CG 3.24Å; D1251-R1255 WeakPolarHBondContact O-CG 3.45Å; D1251-R1255 PolarHBondContact O-N 3.13Å; E1252-R1255 PolarHBondContact O-N 3.09Å; R1255-Y1257 VanDerWaalsContact C-N 3.27Å; R1255-Y1257 PolarHBondContact O-N 3.11Å; R1255-N1258 PolarHBondContact O-N 2.98Å; R1255-I1259 WeakPolarHBondContact O-CD1 3.5Å; R1255-I1259 VanDerWaalsContact O-CG1 3.23Å; R1255-I1259 WeakPolarHBondContact O-CG1 3.44Å; R1255-I1259 PolarHBondContact O-N 3.49Å |
| 1256 | N | 66.4 | Low | 63.5 | Low | 109 Ų | 109 | 90.3 Ų | 90.3 | 58% | 0.583 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 179.3 | -71.6 | -21.2 | 0 | 0 | 0 | 111.9 | E1252 L1253 G1260 | E1252-N1256 WeakPolarHBondContact O-CB 3.33Å; E1252-N1256 VanDerWaalsContact O-CG 3.22Å; E1252-N1256 PolarHBondContact O-N 3.19Å; E1252-N1256 PolarHBondContact O-ND2 2.93Å; L1253-N1256 PolarHBondContact O-N 3.31Å; N1256-G1260 PolarHBondContact O-N 3.04Å |
| 1257 | Y | 67.9 | Low | 65.9 | Low | 52 Ų | 52 | 83.9 Ų | 83.9 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 175.3 | -173 | -101.4 | 0 | 0 | 0 | 113.1 | L1253 T1254 R1255 G1260 C1261 T1290 | L1253-Y1257 WeakPolarHBondContact O-CB 3.45Å; L1253-Y1257 PolarHBondContact O-N 3.25Å; T1254-Y1257 PolarHBondContact O-N 3.42Å; R1255-Y1257 VanDerWaalsContact C-N 3.27Å; R1255-Y1257 PolarHBondContact O-N 3.11Å; Y1257-G1260 PolarHBondContact O-N 3.47Å; Y1257-C1261 PolarHBondContact O-N 3.18Å; Y1257-C1261 VanDerWaalsContact O-N 3.11Å; Y1257-T1290 WeakPolarHBondContact OH-CB 3.49Å; Y1257-T1290 PolarHBondContact OH-O 3.2Å |
| 1258 | N | 72.4 | Confident | 68.3 | Low | 83 Ų | 83 | 77.8 Ų | 77.8 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178.4 | -71 | -16.2 | 0 | 0 | 0 | 111.6 | T1254 R1255 G1260 C1261 E1262 | T1254-N1258 VanDerWaalsContact O-CG 3.3Å; T1254-N1258 PolarHBondContact O-N 3.3Å; T1254-N1258 VanDerWaalsContact O-N 3.09Å; T1254-N1258 PolarHBondContact O-ND2 3.42Å; R1255-N1258 PolarHBondContact O-N 2.98Å; N1258-G1260 VanDerWaalsContact C-N 3.28Å; N1258-G1260 PolarHBondContact O-N 3.19Å; N1258-C1261 PolarHBondContact O-N 2.97Å; N1258-E1262 WeakPolarHBondContact O-CG 3.47Å; N1258-E1262 PolarHBondContact O-N 3.23Å |
| 1259 | I | 77.6 | Confident | 70.6 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 174.4 | -64.9 | 162.6 | 0 | 0 | 0 | 110.8 | R1255 T1263 | R1255-I1259 WeakPolarHBondContact O-CD1 3.5Å; R1255-I1259 VanDerWaalsContact O-CG1 3.23Å; R1255-I1259 WeakPolarHBondContact O-CG1 3.44Å; R1255-I1259 PolarHBondContact O-N 3.49Å; I1259-T1263 WeakPolarHBondContact O-CB 3.21Å; I1259-T1263 WeakPolarHBondContact O-CG2 3.43Å; I1259-T1263 PolarHBondContact O-N 2.94Å; I1259-T1263 PolarHBondContact O-OG1 3.3Å |
| 1260 | G | 78.2 | Confident | 72.7 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1217 N1256 Y1257 N1258 T1263 A1264 | C1217-G1260 WeakPolarHBondContact CB-O 3.38Å; N1256-G1260 PolarHBondContact O-N 3.04Å; Y1257-G1260 PolarHBondContact O-N 3.47Å; N1258-G1260 VanDerWaalsContact C-N 3.28Å; N1258-G1260 PolarHBondContact O-N 3.19Å; G1260-T1263 WeakPolarHBondContact CA-OG1 3.4Å; G1260-T1263 PolarHBondContact O-OG1 2.96Å; G1260-A1264 PolarHBondContact O-N 3.4Å; G1260-A1264 VanDerWaalsContact O-N 3.12Å |
| 1261 | C | 78.7 | Confident | 74.4 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -43.9 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | Y1257 N1258 T1263 A1264 E1265 | Y1257-C1261 PolarHBondContact O-N 3.18Å; Y1257-C1261 VanDerWaalsContact O-N 3.11Å; N1258-C1261 PolarHBondContact O-N 2.97Å; C1261-T1263 VanDerWaalsContact C-N 3.33Å; C1261-T1263 PolarHBondContact O-N 3.33Å; C1261-A1264 PolarHBondContact O-N 3.1Å; C1261-E1265 PolarHBondContact O-N 3.31Å |
| 1262 | E | 81 | Confident | 75.7 | Confident | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 178.5 | -71.8 | 176.9 | -176.6 | 0 | 0 | 112.1 | N1258 E1265 Q1266 | N1258-E1262 WeakPolarHBondContact O-CG 3.47Å; N1258-E1262 PolarHBondContact O-N 3.23Å; E1262-E1265 PolarHBondContact O-N 3.04Å; E1262-Q1266 WeakPolarHBondContact O-CG 3.39Å; E1262-Q1266 PolarHBondContact O-N 3.41Å; E1262-Q1266 VanDerWaalsContact O-N 3.15Å |
| 1263 | T | 84.8 | Confident | 76.5 | Confident | 51 Ų | 51 | 79.6 Ų | 79.6 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | I1259 G1260 C1261 E1265 Q1266 L1267 | I1259-T1263 WeakPolarHBondContact O-CB 3.21Å; I1259-T1263 WeakPolarHBondContact O-CG2 3.43Å; I1259-T1263 PolarHBondContact O-N 2.94Å; I1259-T1263 PolarHBondContact O-OG1 3.3Å; G1260-T1263 WeakPolarHBondContact CA-OG1 3.4Å; G1260-T1263 PolarHBondContact O-OG1 2.96Å; C1261-T1263 VanDerWaalsContact C-N 3.33Å; C1261-T1263 PolarHBondContact O-N 3.33Å; T1263-E1265 PolarHBondContact O-N 2.97Å; T1263-Q1266 PolarHBondContact O-N 3.17Å; T1263-L1267 VanDerWaalsContact O-CG 3.29Å; T1263-L1267 WeakPolarHBondContact O-CG 3.37Å; T1263-L1267 PolarHBondContact O-N 3.08Å |
| 1264 | A | 84.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1214 C1217 I1218 G1260 C1261 Q1266 L1267 L1268 L1287 | V1214-A1264 HydrophobicContact CG1-CB 4.17Å; V1214-A1264 HydrophobicContact CG2-CB 4.26Å; C1217-A1264 HydrophobicContact CB-CB 3.95Å; I1218-A1264 HydrophobicContact CG1-CB 4.49Å; G1260-A1264 PolarHBondContact O-N 3.4Å; G1260-A1264 VanDerWaalsContact O-N 3.12Å; C1261-A1264 PolarHBondContact O-N 3.1Å; A1264-Q1266 VanDerWaalsContact C-N 3.35Å; A1264-L1267 PolarHBondContact O-N 3.06Å; A1264-L1268 PolarHBondContact O-N 3.44Å; A1264-L1268 VanDerWaalsContact O-N 3.15Å; A1264-L1287 HydrophobicContact CB-CD1 3.56Å; A1264-L1287 HydrophobicContact CB-CD2 3.97Å; A1264-L1287 HydrophobicContact CB-CG 4.44Å |
| 1265 | E | 84 | Confident | 78 | Confident | 82 Ų | 82 | 78.8 Ų | 78.8 | 38% | 0.383 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.3 | -74.5 | -171.3 | -173.1 | 0 | 0 | 112.3 | C1261 E1262 T1263 K1269 L1287 | C1261-E1265 PolarHBondContact O-N 3.31Å; E1262-E1265 PolarHBondContact O-N 3.04Å; T1263-E1265 PolarHBondContact O-N 2.97Å; E1265-K1269 WeakPolarHBondContact O-CG 3.45Å; E1265-K1269 PolarHBondContact O-N 3.37Å; E1265-K1269 IonicContact OE2-NZ 3.93Å; E1265-L1287 HydrophobicContact CB-CD2 4.3Å; E1265-L1287 HydrophobicContact CG-CD2 3.61Å; E1265-L1287 HydrophobicContact CG-CG 4.33Å |
| 1266 | Q | 85.8 | Confident | 78.7 | Confident | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.6 | -71.1 | 176.1 | 11 | 0 | 0 | 111.6 | E1262 T1263 A1264 L1268 K1269 E1270 | E1262-Q1266 WeakPolarHBondContact O-CG 3.39Å; E1262-Q1266 PolarHBondContact O-N 3.41Å; E1262-Q1266 VanDerWaalsContact O-N 3.15Å; T1263-Q1266 PolarHBondContact O-N 3.17Å; A1264-Q1266 VanDerWaalsContact C-N 3.35Å; Q1266-L1268 PolarHBondContact O-N 3.44Å; Q1266-K1269 PolarHBondContact O-N 2.9Å; Q1266-E1270 PolarHBondContact O-N 3.26Å |
| 1267 | L | 86.4 | Confident | 79.2 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 178.6 | -72.7 | 167.2 | 0 | 0 | 0 | 112.5 | I1210 M1213 V1214 T1263 A1264 K1269 E1270 | I1210-L1267 HydrophobicContact CG2-CB 4.11Å; M1213-L1267 HydrophobicContact CB-CD1 3.82Å; M1213-L1267 HydrophobicContact CE-CD1 4.02Å; M1213-L1267 HydrophobicContact CE-CD2 3.65Å; M1213-L1267 HydrophobicContact SD-CD2 4.33Å; V1214-L1267 HydrophobicContact CG2-CB 4.13Å; V1214-L1267 HydrophobicContact CG2-CD1 4.46Å; T1263-L1267 VanDerWaalsContact O-CG 3.29Å; T1263-L1267 WeakPolarHBondContact O-CG 3.37Å; T1263-L1267 PolarHBondContact O-N 3.08Å; A1264-L1267 PolarHBondContact O-N 3.06Å; L1267-K1269 VanDerWaalsContact C-N 3.3Å; L1267-K1269 PolarHBondContact O-N 3.35Å; L1267-E1270 PolarHBondContact O-N 3.49Å |
| 1268 | L | 86.1 | Confident | 79.7 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.3 | -29.5 | 177.7 | -71.1 | 177.3 | 0 | 0 | 0 | 113.2 | I1210 Y1211 V1214 A1264 Q1266 E1270 L1271 Y1280 V1283 L1287 | I1210-L1268 HydrophobicContact CG2-CD2 4.27Å; Y1211-L1268 HydrophobicContact CD1-CD2 4.31Å; Y1211-L1268 HydrophobicContact CE1-CD2 4.24Å; V1214-L1268 HydrophobicContact CG2-CD2 4.04Å; V1214-L1268 HydrophobicContact CG2-CG 3.93Å; A1264-L1268 PolarHBondContact O-N 3.44Å; A1264-L1268 VanDerWaalsContact O-N 3.15Å; Q1266-L1268 PolarHBondContact O-N 3.44Å; L1268-E1270 VanDerWaalsContact C-N 3.26Å; L1268-E1270 PolarHBondContact O-N 2.95Å; L1268-L1271 HydrophobicContact CD2-CD1 4.3Å; L1268-Y1280 HydrophobicContact CD2-CE2 4.44Å; L1268-V1283 HydrophobicContact CD2-CG1 4.18Å; L1268-L1287 HydrophobicContact CD1-CD2 3.67Å |
| 1269 | K | 84.6 | Confident | 80.1 | Confident | 158 Ų | 158 | 79.1 Ų | 79.1 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72 | -17.7 | 177.5 | -74.4 | 170.5 | -175.3 | 164.6 | 0 | 113.2 | E1265 Q1266 L1267 | E1265-K1269 WeakPolarHBondContact O-CG 3.45Å; E1265-K1269 PolarHBondContact O-N 3.37Å; E1265-K1269 IonicContact OE2-NZ 3.93Å; Q1266-K1269 PolarHBondContact O-N 2.9Å; L1267-K1269 VanDerWaalsContact C-N 3.3Å; L1267-K1269 PolarHBondContact O-N 3.35Å |
| 1270 | E | 83.8 | Confident | 80.4 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.3 | 179.7 | -72.2 | -176 | 175.7 | 0 | 0 | 114.5 | R1200 Q1266 L1267 L1268 K1272 | R1200-E1270 IonicContact CZ-OE1 2.66Å; R1200-E1270 IonicContact CZ-OE2 3.42Å; R1200-E1270 IonicContact NE-OE1 3.49Å; R1200-E1270 IonicContact NE-OE2 3.27Å; R1200-E1270 PolarHBondContact NE-OE2 3.21Å; R1200-E1270 IonicContact NH2-OE1 2.91Å; R1200-E1270 PolarHBondContact NH2-OE1 2.72Å; R1200-E1270 IonicContact NH2-OE2 3.4Å; R1200-E1270 PolarHBondContact NH2-OE2 3.03Å; Q1266-E1270 PolarHBondContact O-N 3.26Å; L1267-E1270 PolarHBondContact O-N 3.49Å; L1268-E1270 VanDerWaalsContact C-N 3.26Å; L1268-E1270 PolarHBondContact O-N 2.95Å; E1270-K1272 PolarHBondContact O-N 2.86Å; E1270-K1272 VanDerWaalsContact O-N 3.08Å |
| 1271 | L | 80.4 | Confident | 80.7 | Confident | 20 Ų | 20 | 80.9 Ų | 80.9 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | trans | -70.1 | 103.2 | 178.8 | -68.7 | 171.8 | 0 | 0 | 0 | 110.9 | E1207 I1210 Y1211 L1268 Y1280 | E1207-L1271 HydrophobicContact CB-CD2 4.19Å; E1207-L1271 HydrophobicContact CG-CD2 4.43Å; I1210-L1271 HydrophobicContact CB-CD2 4.38Å; I1210-L1271 HydrophobicContact CD1-CD2 3.5Å; I1210-L1271 VanDerWaalsContact CD1-CD2 3.5Å; I1210-L1271 HydrophobicContact CD1-CG 3.94Å; I1210-L1271 HydrophobicContact CG2-CD1 3.99Å; I1210-L1271 HydrophobicContact CG2-CD2 4.49Å; I1210-L1271 HydrophobicContact CG2-CG 4.25Å; Y1211-L1271 HydrophobicContact CE1-CD1 4.15Å; L1268-L1271 HydrophobicContact CD2-CD1 4.3Å; L1271-Y1280 HydrophobicContact CD1-CD2 4.03Å; L1271-Y1280 HydrophobicContact CD1-CE2 4.02Å | ||
| 1272 | K | 74.1 | Confident | 81 | Confident | 205 Ų | 205 | 80.5 Ų | 80.5 | 89% | 0.891 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -78.6 | -32.3 | 176.5 | -65.1 | -176.8 | -178.2 | 178.3 | 0 | 113.5 | E1270 | E1270-K1272 PolarHBondContact O-N 2.86Å; E1270-K1272 VanDerWaalsContact O-N 3.08Å |
| 1273 | V | 71.1 | Confident | 81.2 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -127.2 | 121.7 | -177.6 | -178 | 0 | 0 | 0 | 0 | 107.6 | ||
| 1274 | I | 77 | Confident | 81.2 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | trans | -108.1 | 104 | -178.4 | -59.5 | 166.2 | 0 | 0 | 0 | 107.5 | K1277 Y1280 | I1274-K1277 HydrophobicContact CG2-CG 4.26Å; I1274-Y1280 HydrophobicContact CD1-CD1 3.88Å; I1274-Y1280 HydrophobicContact CD1-CD2 3.84Å; I1274-Y1280 HydrophobicContact CD1-CE1 3.87Å; I1274-Y1280 HydrophobicContact CD1-CE2 3.83Å; I1274-Y1280 HydrophobicContact CD1-CG 3.86Å; I1274-Y1280 HydrophobicContact CG1-CD2 4.07Å; I1274-Y1280 HydrophobicContact CG1-CE2 4.31Å; I1274-Y1280 HydrophobicContact CG1-CG 4.33Å; I1274-Y1280 HydrophobicContact CG2-CD2 4.25Å; I1274-Y1280 HydrophobicContact CG2-CG 3.92Å | ||
| 1275 | K | 71.8 | Confident | 81.3 | Confident | 111 Ų | 111 | 74.9 Ų | 74.9 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -73.9 | -42.2 | 176.5 | -59.4 | 174.8 | -175.2 | 166.6 | 0 | 109.9 | P1203 E1207 | P1203-K1275 PolarHBondContact O-NZ 3.26Å; E1207-K1275 WeakPolarHBondContact OE2-CA 3.31Å; E1207-K1275 WeakPolarHBondContact OE2-CB 3.4Å; E1207-K1275 PolarHBondContact OE2-N 3.47Å |
| 1276 | F | 75.2 | Confident | 81.3 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 37% | 0.368 | 33% | 0.326 | S | S | . | . | trans | -106.3 | 74.8 | -174.9 | -58.5 | -81 | 0 | 0 | 0 | 111.5 | E1207 M1208 R1278 R1279 Y1280 | E1207-F1276 PolarHBondContact OE1-N 2.93Å; M1208-F1276 HydrophobicContact CE-CD2 3.14Å; M1208-F1276 HydrophobicContact CE-CE2 3.14Å; M1208-F1276 HydrophobicContact CE-CG 4.01Å; M1208-F1276 HydrophobicContact CE-CZ 4.01Å; F1276-R1278 PolarHBondContact O-N 3.05Å; F1276-R1278 VanDerWaalsContact O-N 3.13Å; F1276-R1279 HydrophobicContact CB-CB 3.81Å; F1276-R1279 PolarHBondContact O-N 3.49Å; F1276-Y1280 PolarHBondContact O-N 2.98Å | ||
| 1277 | K | 78.1 | Confident | 81.2 | Confident | 163 Ų | 163 | 66.6 Ų | 66.6 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -53.2 | -37.8 | -176.9 | -68.4 | -178.2 | -178.4 | 174 | 0 | 113.2 | I1274 R1281 | I1274-K1277 HydrophobicContact CG2-CG 4.26Å; K1277-R1281 WeakPolarHBondContact O-CB 3.46Å; K1277-R1281 PolarHBondContact O-N 3.08Å; K1277-R1281 VanDerWaalsContact O-N 3.13Å |
| 1278 | R | 77.2 | Confident | 81 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 177.5 | -69.2 | 177.5 | 174.8 | -140.4 | -5.9 | 111.7 | F1276 R1281 F1282 D1311 | F1276-R1278 PolarHBondContact O-N 3.05Å; F1276-R1278 VanDerWaalsContact O-N 3.13Å; R1278-R1281 PolarHBondContact O-N 3.11Å; R1278-F1282 PolarHBondContact O-N 2.81Å; R1278-F1282 VanDerWaalsContact O-N 3.08Å; R1278-D1311 IonicContact CZ-OD2 3.37Å; R1278-D1311 IonicContact NH1-OD2 3.05Å; R1278-D1311 PolarHBondContact NH1-OD2 3.42Å; R1278-D1311 IonicContact NH2-OD2 2.67Å; R1278-D1311 PolarHBondContact NH2-OD2 3.16Å |
| 1279 | R | 81 | Confident | 80.7 | Confident | 54 Ų | 54 | 68 Ų | 68 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 178 | -168.7 | 71.8 | 179.5 | 179.5 | 7.1 | 111.4 | Y1211 E1215 F1276 R1281 F1282 V1283 E1353 | Y1211-R1279 HydrophobicContact CD2-CG 3.94Å; Y1211-R1279 HydrophobicContact CE2-CB 4.15Å; Y1211-R1279 HydrophobicContact CE2-CG 3.7Å; E1215-R1279 IonicContact OE1-NH2 3.86Å; E1215-R1279 PolarHBondContact OE1-NH2 3.47Å; F1276-R1279 HydrophobicContact CB-CB 3.81Å; F1276-R1279 PolarHBondContact O-N 3.49Å; R1279-R1281 PolarHBondContact O-N 2.97Å; R1279-F1282 WeakPolarHBondContact O-CB 3.34Å; R1279-F1282 PolarHBondContact O-N 3.11Å; R1279-V1283 HydrophobicContact CG-CG2 4.3Å; R1279-V1283 WeakPolarHBondContact O-CG2 3.38Å; R1279-V1283 PolarHBondContact O-N 2.86Å; R1279-E1353 IonicContact CZ-OE1 3.99Å; R1279-E1353 VanDerWaalsContact CZ-OE1 3.24Å; R1279-E1353 VanDerWaalsContact NH1-CD 3.33Å; R1279-E1353 IonicContact NH1-OE1 3.33Å; R1279-E1353 PolarHBondContact NH1-OE1 3Å; R1279-E1353 IonicContact NH1-OE2 2.64Å; R1279-E1353 IonicContact NH2-OE1 2.92Å; R1279-E1353 PolarHBondContact NH2-OE1 2.97Å |
| 1280 | Y | 84.7 | Confident | 80.2 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.6 | -49 | 175.3 | -178.8 | -95.4 | 0 | 0 | 0 | 112.1 | Y1211 L1268 L1271 I1274 F1276 F1282 V1283 S1284 | Y1211-Y1280 HydrophobicContact CE1-CD2 4.32Å; Y1211-Y1280 WeakPolarHBondContact OH-CA 3.47Å; Y1211-Y1280 VanDerWaalsContact OH-CB 3.29Å; Y1211-Y1280 WeakPolarHBondContact OH-CB 3.32Å; Y1211-Y1280 PolarHBondContact OH-N 2.9Å; L1268-Y1280 HydrophobicContact CD2-CE2 4.44Å; L1271-Y1280 HydrophobicContact CD1-CD2 4.03Å; L1271-Y1280 HydrophobicContact CD1-CE2 4.02Å; I1274-Y1280 HydrophobicContact CD1-CD1 3.88Å; I1274-Y1280 HydrophobicContact CD1-CD2 3.84Å; I1274-Y1280 HydrophobicContact CD1-CE1 3.87Å; I1274-Y1280 HydrophobicContact CD1-CE2 3.83Å; I1274-Y1280 HydrophobicContact CD1-CG 3.86Å; I1274-Y1280 HydrophobicContact CG1-CD2 4.07Å; I1274-Y1280 HydrophobicContact CG1-CE2 4.31Å; I1274-Y1280 HydrophobicContact CG1-CG 4.33Å; I1274-Y1280 HydrophobicContact CG2-CD2 4.25Å; I1274-Y1280 HydrophobicContact CG2-CG 3.92Å; F1276-Y1280 PolarHBondContact O-N 2.98Å; Y1280-F1282 VanDerWaalsContact C-N 3.31Å; Y1280-F1282 PolarHBondContact O-N 2.87Å; Y1280-V1283 PolarHBondContact O-N 3.23Å; Y1280-S1284 WeakPolarHBondContact O-CB 3.34Å; Y1280-S1284 PolarHBondContact O-N 2.83Å; Y1280-S1284 PolarHBondContact O-OG 3.36Å |
| 1281 | R | 84.3 | Confident | 79.7 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 179.4 | -168.5 | 176.5 | 167.7 | 146.3 | -2 | 111.9 | K1277 R1278 R1279 S1284 T1285 E1306 M1307 | K1277-R1281 WeakPolarHBondContact O-CB 3.46Å; K1277-R1281 PolarHBondContact O-N 3.08Å; K1277-R1281 VanDerWaalsContact O-N 3.13Å; R1278-R1281 PolarHBondContact O-N 3.11Å; R1279-R1281 PolarHBondContact O-N 2.97Å; R1281-S1284 WeakPolarHBondContact CA-OG 3.39Å; R1281-S1284 PolarHBondContact O-OG 3.45Å; R1281-S1284 VanDerWaalsContact O-OG 3.06Å; R1281-T1285 VanDerWaalsContact O-CB 3.32Å; R1281-T1285 WeakPolarHBondContact O-CB 3.35Å; R1281-T1285 PolarHBondContact O-N 3.44Å; R1281-T1285 PolarHBondContact O-OG1 2.77Å; R1281-E1306 IonicContact CZ-OE2 2.67Å; R1281-E1306 IonicContact NH2-OE2 3.44Å; R1281-E1306 PolarHBondContact NH2-OE2 2.88Å; R1281-M1307 HydrophobicContact CB-CE 4.07Å; R1281-M1307 HydrophobicContact CB-SD 4.17Å; R1281-M1307 HydrophobicContact CG-CE 4.2Å; R1281-M1307 HydrophobicContact CG-CG 4.26Å; R1281-M1307 HydrophobicContact CG-SD 3.68Å |
| 1282 | F | 86.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -51.5 | 174.2 | 171.9 | -107.3 | 0 | 0 | 0 | 112.2 | R1278 R1279 Y1280 T1285 L1286 F1304 M1307 A1316 Y1319 E1353 | R1278-F1282 PolarHBondContact O-N 2.81Å; R1278-F1282 VanDerWaalsContact O-N 3.08Å; R1279-F1282 WeakPolarHBondContact O-CB 3.34Å; R1279-F1282 PolarHBondContact O-N 3.11Å; Y1280-F1282 VanDerWaalsContact C-N 3.31Å; Y1280-F1282 PolarHBondContact O-N 2.87Å; F1282-T1285 PolarHBondContact O-N 2.84Å; F1282-L1286 HydrophobicContact CE1-CD2 4.45Å; F1282-L1286 HydrophobicContact CZ-CD2 4.34Å; F1282-L1286 WeakPolarHBondContact O-CB 3.48Å; F1282-L1286 PolarHBondContact O-N 2.89Å; F1282-F1304 AromaticContact CD2-CE1 3.73Å; F1282-F1304 HydrophobicContact CD2-CE1 3.73Å; F1282-F1304 HydrophobicContact CD2-CZ 4.44Å; F1282-F1304 HydrophobicContact CE2-CE1 4.07Å; F1282-F1304 HydrophobicContact CE2-CZ 4.42Å; F1282-M1307 HydrophobicContact CB-CE 4.14Å; F1282-A1316 HydrophobicContact CD1-CB 4.27Å; F1282-A1316 HydrophobicContact CD2-CB 3.7Å; F1282-A1316 HydrophobicContact CE1-CB 4.36Å; F1282-A1316 HydrophobicContact CE2-CB 3.85Å; F1282-A1316 WeakPolarHBondContact CE2-O 3.42Å; F1282-A1316 HydrophobicContact CG-CB 3.95Å; F1282-A1316 HydrophobicContact CZ-CB 4.17Å; F1282-Y1319 HydrophobicContact CE2-CD1 4.35Å; F1282-Y1319 AromaticContact CZ-CD1 3.93Å; F1282-Y1319 HydrophobicContact CZ-CD1 3.93Å; F1282-Y1319 HydrophobicContact CZ-CE1 4.35Å; F1282-E1353 HydrophobicContact CE1-CG 4.38Å; F1282-E1353 HydrophobicContact CZ-CG 4.2Å |
| 1283 | V | 84.2 | Confident | 79.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | -177.5 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | Y1211 V1214 L1268 R1279 Y1280 T1285 L1286 L1287 | Y1211-V1283 HydrophobicContact CD1-CB 4.2Å; Y1211-V1283 HydrophobicContact CD1-CG1 4.03Å; Y1211-V1283 HydrophobicContact CD1-CG2 4.03Å; Y1211-V1283 HydrophobicContact CE1-CB 4.39Å; Y1211-V1283 HydrophobicContact CE1-CG2 4.41Å; Y1211-V1283 HydrophobicContact CG-CG2 4.33Å; V1214-V1283 HydrophobicContact CB-CG1 4.37Å; V1214-V1283 HydrophobicContact CG1-CG1 3.69Å; L1268-V1283 HydrophobicContact CD2-CG1 4.18Å; R1279-V1283 HydrophobicContact CG-CG2 4.3Å; R1279-V1283 WeakPolarHBondContact O-CG2 3.38Å; R1279-V1283 PolarHBondContact O-N 2.86Å; Y1280-V1283 PolarHBondContact O-N 3.23Å; V1283-T1285 VanDerWaalsContact C-N 3.34Å; V1283-T1285 PolarHBondContact O-N 3.2Å; V1283-L1286 PolarHBondContact O-N 3.44Å; V1283-L1287 PolarHBondContact O-N 3.42Å |
| 1284 | S | 85.2 | Confident | 80 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.3 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | Y1280 R1281 L1287 L1288 | Y1280-S1284 WeakPolarHBondContact O-CB 3.34Å; Y1280-S1284 PolarHBondContact O-N 2.83Å; Y1280-S1284 PolarHBondContact O-OG 3.36Å; R1281-S1284 WeakPolarHBondContact CA-OG 3.39Å; R1281-S1284 PolarHBondContact O-OG 3.45Å; R1281-S1284 VanDerWaalsContact O-OG 3.06Å; S1284-L1287 PolarHBondContact O-N 3.27Å; S1284-L1288 PolarHBondContact O-N 3.42Å |
| 1285 | T | 85.9 | Confident | 80.3 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | R1281 F1282 V1283 L1288 S1289 A1300 T1303 F1304 | R1281-T1285 VanDerWaalsContact O-CB 3.32Å; R1281-T1285 WeakPolarHBondContact O-CB 3.35Å; R1281-T1285 PolarHBondContact O-N 3.44Å; R1281-T1285 PolarHBondContact O-OG1 2.77Å; F1282-T1285 PolarHBondContact O-N 2.84Å; V1283-T1285 VanDerWaalsContact C-N 3.34Å; V1283-T1285 PolarHBondContact O-N 3.2Å; T1285-L1288 WeakPolarHBondContact O-CB 3.28Å; T1285-L1288 PolarHBondContact O-N 3.36Å; T1285-S1289 PolarHBondContact O-N 3.47Å; T1285-S1289 VanDerWaalsContact O-N 3.15Å; T1285-A1300 HydrophobicContact CG2-CB 3.8Å; T1285-A1300 WeakPolarHBondContact CG2-O 3.49Å; T1285-T1303 WeakPolarHBondContact CG2-OG1 3.47Å; T1285-T1303 PolarHBondContact OG1-OG1 3.26Å; T1285-F1304 HydrophobicContact CG2-CD1 3.82Å; T1285-F1304 HydrophobicContact CG2-CD2 3.78Å; T1285-F1304 HydrophobicContact CG2-CE1 3.49Å; T1285-F1304 VanDerWaalsContact CG2-CE1 3.49Å; T1285-F1304 HydrophobicContact CG2-CE2 3.46Å; T1285-F1304 VanDerWaalsContact CG2-CE2 3.46Å; T1285-F1304 HydrophobicContact CG2-CG 3.95Å; T1285-F1304 HydrophobicContact CG2-CZ 3.3Å |
| 1286 | L | 85 | Confident | 80.9 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.6 | -170.6 | 67.7 | 0 | 0 | 0 | 111.5 | F1282 V1283 L1288 S1289 T1290 | F1282-L1286 HydrophobicContact CE1-CD2 4.45Å; F1282-L1286 HydrophobicContact CZ-CD2 4.34Å; F1282-L1286 WeakPolarHBondContact O-CB 3.48Å; F1282-L1286 PolarHBondContact O-N 2.89Å; V1283-L1286 PolarHBondContact O-N 3.44Å; L1286-L1288 VanDerWaalsContact C-N 3.33Å; L1286-L1288 PolarHBondContact O-N 3.34Å; L1286-S1289 WeakPolarHBondContact O-CB 3.29Å; L1286-S1289 PolarHBondContact O-N 3.41Å; L1286-S1289 PolarHBondContact O-OG 3.26Å; L1286-T1290 WeakPolarHBondContact O-CG2 3.33Å; L1286-T1290 PolarHBondContact O-N 2.85Å |
| 1287 | L | 83.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 173 | 178.6 | 61.7 | 0 | 0 | 0 | 112.3 | I1218 A1264 E1265 L1268 V1283 S1284 S1289 T1290 | I1218-L1287 HydrophobicContact CD1-CB 4Å; I1218-L1287 HydrophobicContact CD1-CD1 3.84Å; I1218-L1287 HydrophobicContact CG1-CD1 3.7Å; A1264-L1287 HydrophobicContact CB-CD1 3.56Å; A1264-L1287 HydrophobicContact CB-CD2 3.97Å; A1264-L1287 HydrophobicContact CB-CG 4.44Å; E1265-L1287 HydrophobicContact CB-CD2 4.3Å; E1265-L1287 HydrophobicContact CG-CD2 3.61Å; E1265-L1287 HydrophobicContact CG-CG 4.33Å; L1268-L1287 HydrophobicContact CD1-CD2 3.67Å; V1283-L1287 PolarHBondContact O-N 3.42Å; S1284-L1287 PolarHBondContact O-N 3.27Å; L1287-S1289 VanDerWaalsContact C-N 3.26Å; L1287-S1289 PolarHBondContact O-N 3.03Å; L1287-T1290 PolarHBondContact O-N 3.45Å; L1287-T1290 PolarHBondContact O-OG1 2.94Å |
| 1288 | L | 82.7 | Confident | 81.7 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 24% | 0.241 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.9 | -171.9 | 65.3 | 0 | 0 | 0 | 111.2 | S1284 T1285 L1286 T1290 T1291 H1296 A1300 | S1284-L1288 PolarHBondContact O-N 3.42Å; T1285-L1288 WeakPolarHBondContact O-CB 3.28Å; T1285-L1288 PolarHBondContact O-N 3.36Å; L1286-L1288 VanDerWaalsContact C-N 3.33Å; L1286-L1288 PolarHBondContact O-N 3.34Å; L1288-T1290 VanDerWaalsContact C-N 3.28Å; L1288-T1290 PolarHBondContact O-N 3.08Å; L1288-T1291 PolarHBondContact O-OG1 2.89Å; L1288-H1296 HydrophobicContact CD1-CB 3.78Å; L1288-H1296 HydrophobicContact CG-CB 3.95Å; L1288-A1300 HydrophobicContact CB-CB 4.44Å; L1288-A1300 HydrophobicContact CD2-CB 4.2Å; L1288-A1300 HydrophobicContact CG-CB 4.41Å |
| 1289 | S | 79.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -27 | 179.2 | 78.3 | 0 | 0 | 0 | 0 | 113.9 | T1285 L1286 L1287 T1291 L1297 C1324 Q1327 | T1285-S1289 PolarHBondContact O-N 3.47Å; T1285-S1289 VanDerWaalsContact O-N 3.15Å; L1286-S1289 WeakPolarHBondContact O-CB 3.29Å; L1286-S1289 PolarHBondContact O-N 3.41Å; L1286-S1289 PolarHBondContact O-OG 3.26Å; L1287-S1289 VanDerWaalsContact C-N 3.26Å; L1287-S1289 PolarHBondContact O-N 3.03Å; S1289-T1291 VanDerWaalsContact C-N 3.34Å; S1289-T1291 PolarHBondContact O-N 3.23Å; S1289-L1297 VanDerWaalsContact O-CD2 3.28Å; S1289-L1297 WeakPolarHBondContact O-CD2 3.21Å; S1289-C1324 VanDerWaalsContact CB-SG 3.54Å; S1289-Q1327 PolarHBondContact O-OE1 2.94Å |
| 1290 | T | 73.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80 | -15.3 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | I1218 L1225 Y1257 L1286 L1287 L1288 K1292 | I1218-T1290 HydrophobicContact CG2-CG2 3.29Å; L1225-T1290 HydrophobicContact CD2-CG2 3.99Å; Y1257-T1290 WeakPolarHBondContact OH-CB 3.49Å; Y1257-T1290 PolarHBondContact OH-O 3.2Å; L1286-T1290 WeakPolarHBondContact O-CG2 3.33Å; L1286-T1290 PolarHBondContact O-N 2.85Å; L1287-T1290 PolarHBondContact O-N 3.45Å; L1287-T1290 PolarHBondContact O-OG1 2.94Å; L1288-T1290 VanDerWaalsContact C-N 3.28Å; L1288-T1290 PolarHBondContact O-N 3.08Å; T1290-K1292 PolarHBondContact O-N 3.16Å |
| 1291 | T | 72.5 | Confident | 82.7 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -5.5 | 176.9 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | L1288 S1289 T1293 H1296 | L1288-T1291 PolarHBondContact O-OG1 2.89Å; S1289-T1291 VanDerWaalsContact C-N 3.34Å; S1289-T1291 PolarHBondContact O-N 3.23Å; T1291-T1293 WeakPolarHBondContact O-CG2 3.4Å; T1291-T1293 PolarHBondContact O-N 3.35Å; T1291-H1296 WeakPolarHBondContact OG1-CB 3.49Å; T1291-H1296 PolarHBondContact OG1-ND1 3.07Å |
| 1292 | K | 70.7 | Confident | 82.9 | Confident | 147 Ų | 147 | 45.4 Ų | 45.4 | 64% | 0.639 | 24% | 0.238 | S | C | * | . | trans | 53.1 | 5.2 | 178.7 | -64.8 | 179.7 | -173.7 | 173.9 | 0 | 115.6 | T1290 | T1290-K1292 PolarHBondContact O-N 3.16Š| ||
| 1293 | T | 79.8 | Confident | 83 | Confident | 61 Ų | 61 | 46.8 Ų | 46.8 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -78.2 | 137 | 173.5 | 75.7 | 0 | 0 | 0 | 0 | 109.1 | T1291 A1295 H1296 L1297 | T1291-T1293 WeakPolarHBondContact O-CG2 3.4Å; T1291-T1293 PolarHBondContact O-N 3.35Å; T1293-A1295 PolarHBondContact O-N 3.02Å; T1293-H1296 PolarHBondContact O-N 3.12Å; T1293-H1296 VanDerWaalsContact OG1-CB 3.25Å; T1293-H1296 WeakPolarHBondContact OG1-CB 3.4Å; T1293-H1296 PolarHBondContact OG1-N 2.99Å; T1293-H1296 PolarHBondContact OG1-ND1 2.66Å; T1293-L1297 WeakPolarHBondContact O-CG 3.44Å; T1293-L1297 PolarHBondContact O-N 2.98Å; T1293-L1297 VanDerWaalsContact O-N 3.09Å | ||
| 1294 | K | 81.8 | Confident | 83.2 | Confident | 141 Ų | 141 | 46.7 Ų | 46.7 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.6 | -38.8 | -178.6 | -175.2 | 179.4 | 171.3 | -172.7 | 0 | 112.3 | L1297 E1298 L1328 | K1294-L1297 PolarHBondContact O-N 3.21Å; K1294-E1298 WeakPolarHBondContact CE-OE1 3.28Å; K1294-E1298 IonicContact NZ-OE1 2.78Å; K1294-E1298 WeakPolarHBondContact O-CG 3.43Å; K1294-E1298 PolarHBondContact O-N 3.37Å; K1294-L1328 HydrophobicContact CG-CD2 4.42Å |
| 1295 | A | 83.9 | Confident | 83.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1293 E1298 S1299 | T1293-A1295 PolarHBondContact O-N 3.02Å; A1295-E1298 PolarHBondContact O-N 3.08Å; A1295-S1299 PolarHBondContact O-N 2.85Å; A1295-S1299 VanDerWaalsContact O-N 3.11Å |
| 1296 | H | 84.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | 177.4 | -64.4 | 165.7 | 0 | 0 | 0 | 112.1 | L1288 T1291 T1293 S1299 A1300 | L1288-H1296 HydrophobicContact CD1-CB 3.78Å; L1288-H1296 HydrophobicContact CG-CB 3.95Å; T1291-H1296 WeakPolarHBondContact OG1-CB 3.49Å; T1291-H1296 PolarHBondContact OG1-ND1 3.07Å; T1293-H1296 PolarHBondContact O-N 3.12Å; T1293-H1296 VanDerWaalsContact OG1-CB 3.25Å; T1293-H1296 WeakPolarHBondContact OG1-CB 3.4Å; T1293-H1296 PolarHBondContact OG1-N 2.99Å; T1293-H1296 PolarHBondContact OG1-ND1 2.66Å; H1296-S1299 PolarHBondContact O-N 3.38Å; H1296-A1300 WeakPolarHBondContact O-CB 3.19Å; H1296-A1300 PolarHBondContact O-N 3.46Å |
| 1297 | L | 83.6 | Confident | 83 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.9 | -70.6 | 169.9 | 0 | 0 | 0 | 112.7 | S1289 T1293 K1294 A1300 L1301 Q1327 L1328 | S1289-L1297 VanDerWaalsContact O-CD2 3.28Å; S1289-L1297 WeakPolarHBondContact O-CD2 3.21Å; T1293-L1297 WeakPolarHBondContact O-CG 3.44Å; T1293-L1297 PolarHBondContact O-N 2.98Å; T1293-L1297 VanDerWaalsContact O-N 3.09Å; K1294-L1297 PolarHBondContact O-N 3.21Å; L1297-A1300 PolarHBondContact O-N 2.95Å; L1297-L1301 WeakPolarHBondContact O-CG 3.36Å; L1297-L1301 PolarHBondContact O-N 3.44Å; L1297-Q1327 HydrophobicContact CD1-CB 4.18Å; L1297-Q1327 HydrophobicContact CD2-CB 3.97Å; L1297-L1328 HydrophobicContact CB-CD1 4.39Å; L1297-L1328 HydrophobicContact CB-CD2 3.91Å; L1297-L1328 HydrophobicContact CB-CG 4.13Å; L1297-L1328 HydrophobicContact CD1-CD2 3.65Å; L1297-L1328 HydrophobicContact CD1-CG 4.01Å; L1297-L1328 HydrophobicContact CG-CD2 4.41Å |
| 1298 | E | 86.5 | Confident | 82.9 | Confident | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 176.6 | -73.8 | 172.6 | 173 | 0 | 0 | 111.1 | K1294 A1295 A1300 L1301 E1302 | K1294-E1298 WeakPolarHBondContact CE-OE1 3.28Å; K1294-E1298 IonicContact NZ-OE1 2.78Å; K1294-E1298 WeakPolarHBondContact O-CG 3.43Å; K1294-E1298 PolarHBondContact O-N 3.37Å; A1295-E1298 PolarHBondContact O-N 3.08Å; E1298-A1300 PolarHBondContact O-N 3.32Å; E1298-L1301 WeakPolarHBondContact O-CB 3.29Å; E1298-L1301 PolarHBondContact O-N 2.96Å; E1298-E1302 PolarHBondContact O-N 3.44Å; E1298-E1302 VanDerWaalsContact O-N 3.09Å |
| 1299 | S | 88 | Confident | 82.7 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | A1295 H1296 L1301 E1302 T1303 | A1295-S1299 PolarHBondContact O-N 2.85Å; A1295-S1299 VanDerWaalsContact O-N 3.11Å; H1296-S1299 PolarHBondContact O-N 3.38Å; S1299-L1301 VanDerWaalsContact C-N 3.32Å; S1299-L1301 PolarHBondContact O-N 2.98Å; S1299-E1302 PolarHBondContact O-N 3.09Å; S1299-T1303 PolarHBondContact O-N 3.47Å; S1299-T1303 VanDerWaalsContact O-N 3.08Å; S1299-T1303 PolarHBondContact O-OG1 2.97Å |
| 1300 | A | 87.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1285 L1288 H1296 L1297 E1298 T1303 F1304 | T1285-A1300 HydrophobicContact CG2-CB 3.8Å; T1285-A1300 WeakPolarHBondContact CG2-O 3.49Å; L1288-A1300 HydrophobicContact CB-CB 4.44Å; L1288-A1300 HydrophobicContact CD2-CB 4.2Å; L1288-A1300 HydrophobicContact CG-CB 4.41Å; H1296-A1300 WeakPolarHBondContact O-CB 3.19Å; H1296-A1300 PolarHBondContact O-N 3.46Å; L1297-A1300 PolarHBondContact O-N 2.95Å; E1298-A1300 PolarHBondContact O-N 3.32Å; A1300-T1303 PolarHBondContact O-OG1 3.33Å; A1300-F1304 HydrophobicContact CB-CE2 4.48Å; A1300-F1304 WeakPolarHBondContact O-CB 3.46Å; A1300-F1304 WeakPolarHBondContact O-CD2 3.18Å; A1300-F1304 WeakPolarHBondContact O-CG 3.31Å; A1300-F1304 PolarHBondContact O-N 3.33Å |
| 1301 | L | 87.8 | Confident | 82 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 174.3 | -80.5 | 170.9 | 0 | 0 | 0 | 112.5 | L1297 E1298 S1299 F1304 A1305 A1321 C1324 Y1325 L1328 | L1297-L1301 WeakPolarHBondContact O-CG 3.36Å; L1297-L1301 PolarHBondContact O-N 3.44Å; E1298-L1301 WeakPolarHBondContact O-CB 3.29Å; E1298-L1301 PolarHBondContact O-N 2.96Å; S1299-L1301 VanDerWaalsContact C-N 3.32Å; S1299-L1301 PolarHBondContact O-N 2.98Å; L1301-F1304 PolarHBondContact O-N 3.42Å; L1301-A1305 WeakPolarHBondContact O-CB 3.25Å; L1301-A1305 PolarHBondContact O-N 3.5Å; L1301-A1321 HydrophobicContact CD2-CB 4.1Å; L1301-C1324 HydrophobicContact CD1-CB 4.26Å; L1301-C1324 HydrophobicContact CD2-CB 3.61Å; L1301-C1324 HydrophobicContact CG-CB 3.67Å; L1301-Y1325 HydrophobicContact CD1-CD1 4.32Å; L1301-Y1325 HydrophobicContact CD1-CE1 4Å; L1301-Y1325 HydrophobicContact CD2-CD1 4.41Å; L1301-Y1325 HydrophobicContact CD2-CD2 4.35Å; L1301-Y1325 HydrophobicContact CD2-CE1 4.07Å; L1301-Y1325 HydrophobicContact CD2-CE2 3.99Å; L1301-L1328 HydrophobicContact CD1-CD1 3.49Å; L1301-L1328 VanDerWaalsContact CD1-CD1 3.49Å |
| 1302 | E | 88.4 | Confident | 81.8 | Confident | 129 Ų | 129 | 68.5 Ų | 68.5 | 60% | 0.603 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 175.3 | -72 | 175.7 | 176 | 0 | 0 | 111.3 | E1298 S1299 F1304 A1305 E1306 | E1298-E1302 PolarHBondContact O-N 3.44Å; E1298-E1302 VanDerWaalsContact O-N 3.09Å; S1299-E1302 PolarHBondContact O-N 3.09Å; E1302-F1304 PolarHBondContact O-N 2.91Å; E1302-A1305 WeakPolarHBondContact O-CB 3.39Å; E1302-A1305 PolarHBondContact O-N 3.27Å; E1302-E1306 WeakPolarHBondContact O-CG 3.46Å; E1302-E1306 PolarHBondContact O-N 3.27Å |
| 1303 | T | 87.7 | Confident | 81.7 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | T1285 S1299 A1300 E1306 M1307 | T1285-T1303 WeakPolarHBondContact CG2-OG1 3.47Å; T1285-T1303 PolarHBondContact OG1-OG1 3.26Å; S1299-T1303 PolarHBondContact O-N 3.47Å; S1299-T1303 VanDerWaalsContact O-N 3.08Å; S1299-T1303 PolarHBondContact O-OG1 2.97Å; A1300-T1303 PolarHBondContact O-OG1 3.33Å; T1303-E1306 PolarHBondContact O-N 3.01Å; T1303-M1307 VanDerWaalsContact O-CG 3.32Å; T1303-M1307 WeakPolarHBondContact O-CG 3.49Å; T1303-M1307 PolarHBondContact O-N 3.28Å |
| 1304 | F | 88.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 171.5 | -73.6 | -44.9 | 0 | 0 | 0 | 112.4 | F1282 T1285 A1300 L1301 E1302 M1307 S1308 P1317 G1320 A1321 | F1282-F1304 AromaticContact CD2-CE1 3.73Å; F1282-F1304 HydrophobicContact CD2-CE1 3.73Å; F1282-F1304 HydrophobicContact CD2-CZ 4.44Å; F1282-F1304 HydrophobicContact CE2-CE1 4.07Å; F1282-F1304 HydrophobicContact CE2-CZ 4.42Å; T1285-F1304 HydrophobicContact CG2-CD1 3.82Å; T1285-F1304 HydrophobicContact CG2-CD2 3.78Å; T1285-F1304 HydrophobicContact CG2-CE1 3.49Å; T1285-F1304 VanDerWaalsContact CG2-CE1 3.49Å; T1285-F1304 HydrophobicContact CG2-CE2 3.46Å; T1285-F1304 VanDerWaalsContact CG2-CE2 3.46Å; T1285-F1304 HydrophobicContact CG2-CG 3.95Å; T1285-F1304 HydrophobicContact CG2-CZ 3.3Å; A1300-F1304 HydrophobicContact CB-CE2 4.48Å; A1300-F1304 WeakPolarHBondContact O-CB 3.46Å; A1300-F1304 WeakPolarHBondContact O-CD2 3.18Å; A1300-F1304 WeakPolarHBondContact O-CG 3.31Å; A1300-F1304 PolarHBondContact O-N 3.33Å; L1301-F1304 PolarHBondContact O-N 3.42Å; E1302-F1304 PolarHBondContact O-N 2.91Å; F1304-M1307 HydrophobicContact CD1-SD 4.4Å; F1304-M1307 PolarHBondContact O-N 3.36Å; F1304-S1308 WeakPolarHBondContact O-CB 3.33Å; F1304-S1308 PolarHBondContact O-N 2.93Å; F1304-P1317 HydrophobicContact CD1-CB 4.26Å; F1304-G1320 WeakPolarHBondContact CE2-O 3.43Å; F1304-A1321 HydrophobicContact CB-CB 4.31Å |
| 1305 | A | 85.5 | Confident | 81.6 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1301 E1302 M1307 S1308 H1309 | L1301-A1305 WeakPolarHBondContact O-CB 3.25Å; L1301-A1305 PolarHBondContact O-N 3.5Å; E1302-A1305 WeakPolarHBondContact O-CB 3.39Å; E1302-A1305 PolarHBondContact O-N 3.27Å; A1305-M1307 VanDerWaalsContact C-N 3.34Å; A1305-M1307 PolarHBondContact O-N 3.33Å; A1305-S1308 CarbonylContact O-C 3.57Å; A1305-S1308 PolarHBondContact O-N 3.15Å; A1305-H1309 PolarHBondContact O-CD2 3.07Å; A1305-H1309 PolarHBondContact O-N 3.26Å |
| 1306 | E | 84.9 | Confident | 81.6 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.5 | -72.9 | -178 | -171.8 | 0 | 0 | 112.8 | R1281 E1302 T1303 S1308 H1309 K1310 | R1281-E1306 IonicContact CZ-OE2 2.67Å; R1281-E1306 IonicContact NH2-OE2 3.44Å; R1281-E1306 PolarHBondContact NH2-OE2 2.88Å; E1302-E1306 WeakPolarHBondContact O-CG 3.46Å; E1302-E1306 PolarHBondContact O-N 3.27Å; T1303-E1306 PolarHBondContact O-N 3.01Å; E1306-S1308 VanDerWaalsContact C-N 3.34Å; E1306-H1309 PolarHBondContact O-N 3.48Å; E1306-K1310 PolarHBondContact O-N 3.07Å |
| 1307 | M | 81.9 | Confident | 81.6 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.2 | -71.1 | -178.3 | 77.7 | 0 | 0 | 111.5 | R1281 F1282 T1303 F1304 A1305 K1310 D1311 P1317 | R1281-M1307 HydrophobicContact CB-CE 4.07Å; R1281-M1307 HydrophobicContact CB-SD 4.17Å; R1281-M1307 HydrophobicContact CG-CE 4.2Å; R1281-M1307 HydrophobicContact CG-CG 4.26Å; R1281-M1307 HydrophobicContact CG-SD 3.68Å; F1282-M1307 HydrophobicContact CB-CE 4.14Å; T1303-M1307 VanDerWaalsContact O-CG 3.32Å; T1303-M1307 WeakPolarHBondContact O-CG 3.49Å; T1303-M1307 PolarHBondContact O-N 3.28Å; F1304-M1307 HydrophobicContact CD1-SD 4.4Å; F1304-M1307 PolarHBondContact O-N 3.36Å; A1305-M1307 VanDerWaalsContact C-N 3.34Å; A1305-M1307 PolarHBondContact O-N 3.33Å; M1307-K1310 PolarHBondContact O-N 2.84Å; M1307-D1311 PolarHBondContact O-N 2.85Å; M1307-P1317 HydrophobicContact CB-CB 3.88Å; M1307-P1317 HydrophobicContact CB-CG 3.62Å; M1307-P1317 HydrophobicContact CE-CG 4.1Å; M1307-P1317 HydrophobicContact SD-CG 4.41Å |
| 1308 | S | 80.9 | Confident | 81.8 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.7 | -31.6 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | F1304 A1305 E1306 K1310 D1311 P1312 | F1304-S1308 WeakPolarHBondContact O-CB 3.33Å; F1304-S1308 PolarHBondContact O-N 2.93Å; A1305-S1308 CarbonylContact O-C 3.57Å; A1305-S1308 PolarHBondContact O-N 3.15Å; E1306-S1308 VanDerWaalsContact C-N 3.34Å; S1308-K1310 VanDerWaalsContact C-N 3.28Å; S1308-K1310 PolarHBondContact O-N 3.03Å; S1308-D1311 CarbonylContact O-C 3.57Å; S1308-D1311 PolarHBondContact O-N 2.52Å; S1308-P1312 WeakPolarHBondContact O-CA 3.49Å |
| 1309 | H | 78 | Confident | 81.9 | Confident | 165 Ų | 165 | 47.6 Ų | 47.6 | 76% | 0.764 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.6 | -33.9 | 173.9 | -85.2 | -66.3 | 0 | 0 | 0 | 112.7 | A1305 E1306 | A1305-H1309 PolarHBondContact O-CD2 3.07Å; A1305-H1309 PolarHBondContact O-N 3.26Å; E1306-H1309 PolarHBondContact O-N 3.48Å |
| 1310 | K | 70.9 | Confident | 81.8 | Confident | 161 Ų | 161 | 45.3 Ų | 45.3 | 70% | 0.7 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -76.2 | -37.9 | 177.3 | -68.1 | -175.3 | -179.2 | -172.3 | 0 | 112.9 | E1306 M1307 S1308 | E1306-K1310 PolarHBondContact O-N 3.07Å; M1307-K1310 PolarHBondContact O-N 2.84Å; S1308-K1310 VanDerWaalsContact C-N 3.28Å; S1308-K1310 PolarHBondContact O-N 3.03Å |
| 1311 | D | 68.1 | Low | 81.9 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -135.3 | 96.2 | 172.8 | -99.6 | -48.8 | 0 | 0 | 0 | 109.1 | R933 R1278 M1307 S1308 D1313 S1314 | R933-D1311 IonicContact CZ-OD1 2.93Å; R933-D1311 IonicContact NH1-OD1 3.61Å; R933-D1311 PolarHBondContact NH1-OD1 2.87Å; R933-D1311 IonicContact NH2-OD1 3.82Å; R933-D1311 PolarHBondContact NH2-OD1 3.13Å; R1278-D1311 IonicContact CZ-OD2 3.37Å; R1278-D1311 IonicContact NH1-OD2 3.05Å; R1278-D1311 PolarHBondContact NH1-OD2 3.42Å; R1278-D1311 IonicContact NH2-OD2 2.67Å; R1278-D1311 PolarHBondContact NH2-OD2 3.16Å; M1307-D1311 PolarHBondContact O-N 2.85Å; S1308-D1311 CarbonylContact O-C 3.57Å; S1308-D1311 PolarHBondContact O-N 2.52Å; D1311-D1313 PolarHBondContact O-N 3.03Å; D1311-D1313 VanDerWaalsContact O-N 3.09Å; D1311-S1314 PolarHBondContact O-N 3.29Å; D1311-S1314 VanDerWaalsContact O-N 3.11Å |
| 1312 | P | 68.1 | Low | 81.9 | Confident | 62 Ų | 62 | 44.6 Ų | 44.6 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.8 | -173.5 | 15 | -26.9 | 0 | 0 | 0 | 112.6 | S1308 R1340 | S1308-P1312 WeakPolarHBondContact O-CA 3.49Å; P1312-R1340 VanDerWaalsContact C-NH2 3.28Å; P1312-R1340 PolarHBondContact O-NH1 3.46Å; P1312-R1340 PolarHBondContact O-NH2 3.16Å |
| 1313 | D | 68.7 | Low | 81.8 | Confident | 97 Ų | 97 | 38.4 Ų | 38.4 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 12.9 | -175 | -58.6 | -40.1 | 0 | 0 | 0 | 114.1 | D1311 V1315 R1340 | D1311-D1313 PolarHBondContact O-N 3.03Å; D1311-D1313 VanDerWaalsContact O-N 3.09Å; D1313-V1315 PolarHBondContact O-N 3.42Å; D1313-R1340 IonicContact OD1-CZ 2.64Å; D1313-R1340 IonicContact OD1-NH2 3.54Å; D1313-R1340 PolarHBondContact OD1-NH2 3.02Å |
| 1314 | S | 76.3 | Confident | 81.8 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | trans | -65.1 | 122.7 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | D1311 P1317 I1318 | D1311-S1314 PolarHBondContact O-N 3.29Å; D1311-S1314 VanDerWaalsContact O-N 3.11Å; S1314-P1317 WeakPolarHBondContact O-CD 3.26Å; S1314-P1317 WeakPolarHBondContact OG-CD 3.42Å; S1314-I1318 VanDerWaalsContact O-CD1 3.3Å; S1314-I1318 WeakPolarHBondContact O-CD1 3.43Å; S1314-I1318 VanDerWaalsContact O-CG1 3.29Å; S1314-I1318 WeakPolarHBondContact O-CG1 3.33Å | ||
| 1315 | V | 83.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | -176 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | D1313 I1318 Y1319 L1341 V1344 D1350 E1353 L1354 | D1313-V1315 PolarHBondContact O-N 3.42Å; V1315-I1318 PolarHBondContact O-N 3.08Å; V1315-Y1319 WeakPolarHBondContact O-CB 3.31Å; V1315-Y1319 PolarHBondContact O-N 3.3Å; V1315-L1341 HydrophobicContact CB-CD2 4.14Å; V1315-L1341 HydrophobicContact CG1-CD1 4.3Å; V1315-L1341 HydrophobicContact CG1-CD2 3.88Å; V1315-L1341 HydrophobicContact CG2-CD2 4.22Å; V1315-V1344 HydrophobicContact CG2-CG1 4.25Å; V1315-D1350 HydrophobicContact CB-CB 3.55Å; V1315-D1350 HydrophobicContact CG1-CB 3.88Å; V1315-D1350 HydrophobicContact CG2-CB 3.75Å; V1315-E1353 HydrophobicContact CG1-CB 3.82Å; V1315-L1354 HydrophobicContact CB-CD2 4.38Å; V1315-L1354 HydrophobicContact CB-CG 4.49Å; V1315-L1354 HydrophobicContact CG1-CD2 3.62Å; V1315-L1354 HydrophobicContact CG1-CG 3.72Å; V1315-L1354 HydrophobicContact CG2-CD1 4.48Å; V1315-L1354 HydrophobicContact CG2-CD2 3.8Å; V1315-L1354 HydrophobicContact CG2-CG 4.06Å |
| 1316 | A | 83.4 | Confident | 81.8 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -49.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1282 I1318 Y1319 G1320 E1353 | F1282-A1316 HydrophobicContact CD1-CB 4.27Å; F1282-A1316 HydrophobicContact CD2-CB 3.7Å; F1282-A1316 HydrophobicContact CE1-CB 4.36Å; F1282-A1316 HydrophobicContact CE2-CB 3.85Å; F1282-A1316 WeakPolarHBondContact CE2-O 3.42Å; F1282-A1316 HydrophobicContact CG-CB 3.95Å; F1282-A1316 HydrophobicContact CZ-CB 4.17Å; A1316-I1318 VanDerWaalsContact C-N 3.33Å; A1316-I1318 PolarHBondContact O-N 3.24Å; A1316-Y1319 PolarHBondContact O-N 2.73Å; A1316-G1320 PolarHBondContact O-N 3.29Å; A1316-E1353 HydrophobicContact CB-CG 4.14Å |
| 1317 | P | 85.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -37.7 | 175.3 | -24.3 | 35 | 0 | 0 | 0 | 113.8 | F1304 M1307 S1314 G1320 A1321 | F1304-P1317 HydrophobicContact CD1-CB 4.26Å; M1307-P1317 HydrophobicContact CB-CB 3.88Å; M1307-P1317 HydrophobicContact CB-CG 3.62Å; M1307-P1317 HydrophobicContact CE-CG 4.1Å; M1307-P1317 HydrophobicContact SD-CG 4.41Å; S1314-P1317 WeakPolarHBondContact O-CD 3.26Å; S1314-P1317 WeakPolarHBondContact OG-CD 3.42Å; P1317-G1320 PolarHBondContact O-N 3.41Å; P1317-A1321 WeakPolarHBondContact O-CB 3.33Å; P1317-A1321 PolarHBondContact O-N 2.94Å |
| 1318 | I | 87.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 178.5 | -62.1 | 169.3 | 0 | 0 | 0 | 110.3 | S1314 V1315 A1316 A1322 Q1337 L1341 | S1314-I1318 VanDerWaalsContact O-CD1 3.3Å; S1314-I1318 WeakPolarHBondContact O-CD1 3.43Å; S1314-I1318 VanDerWaalsContact O-CG1 3.29Å; S1314-I1318 WeakPolarHBondContact O-CG1 3.33Å; V1315-I1318 PolarHBondContact O-N 3.08Å; A1316-I1318 VanDerWaalsContact C-N 3.33Å; A1316-I1318 PolarHBondContact O-N 3.24Å; I1318-A1322 PolarHBondContact O-N 3.48Å; I1318-Q1337 HydrophobicContact CG2-CB 3.88Å; I1318-L1341 HydrophobicContact CB-CD1 4.19Å; I1318-L1341 HydrophobicContact CB-CD2 3.86Å; I1318-L1341 HydrophobicContact CB-CG 4.16Å; I1318-L1341 HydrophobicContact CD1-CD2 3.98Å; I1318-L1341 HydrophobicContact CG2-CD1 3.83Å; I1318-L1341 HydrophobicContact CG2-CD2 3.75Å; I1318-L1341 HydrophobicContact CG2-CG 3.58Å |
| 1319 | Y | 88.6 | Confident | 82 | Confident | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 173.9 | 168.5 | -100.3 | 0 | 0 | 0 | 111.2 | F1282 V1315 A1316 A1321 A1322 V1323 E1353 K1356 L1360 | F1282-Y1319 HydrophobicContact CE2-CD1 4.35Å; F1282-Y1319 AromaticContact CZ-CD1 3.93Å; F1282-Y1319 HydrophobicContact CZ-CD1 3.93Å; F1282-Y1319 HydrophobicContact CZ-CE1 4.35Å; V1315-Y1319 WeakPolarHBondContact O-CB 3.31Å; V1315-Y1319 PolarHBondContact O-N 3.3Å; A1316-Y1319 PolarHBondContact O-N 2.73Å; Y1319-A1321 VanDerWaalsContact C-N 3.34Å; Y1319-A1321 PolarHBondContact O-N 2.72Å; Y1319-A1322 WeakPolarHBondContact O-CB 3.41Å; Y1319-A1322 PolarHBondContact O-N 2.99Å; Y1319-A1322 VanDerWaalsContact O-N 3.09Å; Y1319-V1323 HydrophobicContact CE1-CG2 4.13Å; Y1319-V1323 HydrophobicContact CE2-CG2 4.13Å; Y1319-V1323 WeakPolarHBondContact O-CG2 3.28Å; Y1319-V1323 PolarHBondContact O-N 2.81Å; Y1319-E1353 HydrophobicContact CD1-CB 4.39Å; Y1319-E1353 HydrophobicContact CD1-CG 4.13Å; Y1319-E1353 HydrophobicContact CG-CB 4.31Å; Y1319-K1356 HydrophobicContact CD2-CB 4.47Å; Y1319-K1356 HydrophobicContact CE2-CB 3.63Å; Y1319-L1360 HydrophobicContact CD2-CD1 4.1Å; Y1319-L1360 HydrophobicContact CE2-CD1 3.47Å; Y1319-L1360 VanDerWaalsContact CE2-CD1 3.47Å |
| 1320 | G | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1304 A1316 P1317 A1322 V1323 C1324 | F1304-G1320 WeakPolarHBondContact CE2-O 3.43Å; A1316-G1320 PolarHBondContact O-N 3.29Å; P1317-G1320 PolarHBondContact O-N 3.41Å; G1320-A1322 PolarHBondContact O-N 3.43Å; G1320-V1323 PolarHBondContact O-N 3.32Å; G1320-C1324 PolarHBondContact O-N 2.99Å; G1320-C1324 PolarHBondContact O-SG 2.84Å |
| 1321 | A | 88.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1301 F1304 P1317 Y1319 C1324 Y1325 | L1301-A1321 HydrophobicContact CD2-CB 4.1Å; F1304-A1321 HydrophobicContact CB-CB 4.31Å; P1317-A1321 WeakPolarHBondContact O-CB 3.33Å; P1317-A1321 PolarHBondContact O-N 2.94Å; Y1319-A1321 VanDerWaalsContact C-N 3.34Å; Y1319-A1321 PolarHBondContact O-N 2.72Å; A1321-C1324 PolarHBondContact O-N 3.46Å; A1321-Y1325 HydrophobicContact CB-CE2 4.28Å; A1321-Y1325 WeakPolarHBondContact O-CD2 3.48Å; A1321-Y1325 PolarHBondContact O-N 3.34Å |
| 1322 | A | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1318 Y1319 G1320 Y1325 I1326 Q1337 L1338 | I1318-A1322 PolarHBondContact O-N 3.48Å; Y1319-A1322 WeakPolarHBondContact O-CB 3.41Å; Y1319-A1322 PolarHBondContact O-N 2.99Å; Y1319-A1322 VanDerWaalsContact O-N 3.09Å; G1320-A1322 PolarHBondContact O-N 3.43Å; A1322-Y1325 PolarHBondContact O-N 3.25Å; A1322-I1326 VanDerWaalsContact O-CG1 3.29Å; A1322-I1326 WeakPolarHBondContact O-CG1 3.48Å; A1322-I1326 PolarHBondContact O-N 2.97Å; A1322-Q1337 HydrophobicContact CB-CB 4.16Å; A1322-L1338 HydrophobicContact CB-CD1 4.49Å; A1322-L1338 HydrophobicContact CB-CD2 3.69Å; A1322-L1338 HydrophobicContact CB-CG 3.8Å |
| 1323 | V | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.2 | 175 | 0 | 0 | 0 | 0 | 111.1 | L1225 Y1319 G1320 Y1325 I1326 Q1327 L1360 | L1225-V1323 HydrophobicContact CB-CG1 4.35Å; Y1319-V1323 HydrophobicContact CE1-CG2 4.13Å; Y1319-V1323 HydrophobicContact CE2-CG2 4.13Å; Y1319-V1323 WeakPolarHBondContact O-CG2 3.28Å; Y1319-V1323 PolarHBondContact O-N 2.81Å; G1320-V1323 PolarHBondContact O-N 3.32Å; V1323-Y1325 PolarHBondContact O-N 3.34Å; V1323-I1326 PolarHBondContact O-N 3.04Å; V1323-I1326 VanDerWaalsContact O-N 3.17Å; V1323-Q1327 PolarHBondContact O-N 3.38Å; V1323-L1360 HydrophobicContact CG2-CD1 4.14Å |
| 1324 | C | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.5 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | S1289 L1301 G1320 A1321 I1326 Q1327 L1328 | S1289-C1324 VanDerWaalsContact CB-SG 3.54Å; L1301-C1324 HydrophobicContact CD1-CB 4.26Å; L1301-C1324 HydrophobicContact CD2-CB 3.61Å; L1301-C1324 HydrophobicContact CG-CB 3.67Å; G1320-C1324 PolarHBondContact O-N 2.99Å; G1320-C1324 PolarHBondContact O-SG 2.84Å; A1321-C1324 PolarHBondContact O-N 3.46Å; C1324-I1326 VanDerWaalsContact C-N 3.31Å; C1324-I1326 PolarHBondContact O-N 3.42Å; C1324-Q1327 PolarHBondContact O-N 2.84Å; C1324-L1328 WeakPolarHBondContact O-CB 3.37Å; C1324-L1328 WeakPolarHBondContact O-CG 3.46Å; C1324-L1328 PolarHBondContact O-N 3.35Å |
| 1325 | Y | 89.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 37 Ų | 37 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -33.7 | 176.5 | -74.4 | -52.5 | 0 | 0 | 0 | 112.8 | L1301 A1321 A1322 V1323 K1329 Q1330 K1333 Q1337 | L1301-Y1325 HydrophobicContact CD1-CD1 4.32Å; L1301-Y1325 HydrophobicContact CD1-CE1 4Å; L1301-Y1325 HydrophobicContact CD2-CD1 4.41Å; L1301-Y1325 HydrophobicContact CD2-CD2 4.35Å; L1301-Y1325 HydrophobicContact CD2-CE1 4.07Å; L1301-Y1325 HydrophobicContact CD2-CE2 3.99Å; A1321-Y1325 HydrophobicContact CB-CE2 4.28Å; A1321-Y1325 WeakPolarHBondContact O-CD2 3.48Å; A1321-Y1325 PolarHBondContact O-N 3.34Å; A1322-Y1325 PolarHBondContact O-N 3.25Å; V1323-Y1325 PolarHBondContact O-N 3.34Å; Y1325-K1329 PolarHBondContact O-N 3.46Å; Y1325-Q1330 HydrophobicContact CD1-CB 4.13Å; Y1325-Q1330 CarbonylContact O-C 3.13Å; Y1325-Q1330 WeakPolarHBondContact O-CA 3.5Å; Y1325-Q1330 PolarHBondContact O-N 3.48Å; Y1325-K1333 HydrophobicContact CD1-CB 3.89Å; Y1325-K1333 HydrophobicContact CD1-CD 4.01Å; Y1325-K1333 HydrophobicContact CD2-CB 4.05Å; Y1325-K1333 HydrophobicContact CE1-CB 4.11Å; Y1325-K1333 HydrophobicContact CE1-CD 3.61Å; Y1325-K1333 HydrophobicContact CE2-CB 4.29Å; Y1325-K1333 HydrophobicContact CG-CB 3.88Å; Y1325-Q1337 HydrophobicContact CD2-CG 4.33Å; Y1325-Q1337 HydrophobicContact CE2-CG 4.19Å |
| 1326 | I | 85.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 41 Ų | 41 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 174.7 | -67.9 | 166.4 | 0 | 0 | 0 | 110.2 | G1226 A1322 V1323 C1324 L1328 K1329 A1334 L1360 | G1226-I1326 WeakPolarHBondContact O-CG2 3.48Å; A1322-I1326 VanDerWaalsContact O-CG1 3.29Å; A1322-I1326 WeakPolarHBondContact O-CG1 3.48Å; A1322-I1326 PolarHBondContact O-N 2.97Å; V1323-I1326 PolarHBondContact O-N 3.04Å; V1323-I1326 VanDerWaalsContact O-N 3.17Å; C1324-I1326 VanDerWaalsContact C-N 3.31Å; C1324-I1326 PolarHBondContact O-N 3.42Å; I1326-L1328 VanDerWaalsContact C-N 3.31Å; I1326-L1328 PolarHBondContact O-N 3.05Å; I1326-K1329 PolarHBondContact O-N 2.64Å; I1326-A1334 HydrophobicContact CD1-CB 4.35Å; I1326-A1334 HydrophobicContact CG1-CB 3.62Å; I1326-L1360 HydrophobicContact CD1-CD1 4.39Å; I1326-L1360 HydrophobicContact CD1-CD2 3.97Å |
| 1327 | Q | 82.7 | Confident | 87.2 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -33.2 | 178.3 | -70.9 | 170.1 | -29.3 | 0 | 0 | 112.9 | S1289 L1297 V1323 C1324 K1329 | S1289-Q1327 PolarHBondContact O-OE1 2.94Å; L1297-Q1327 HydrophobicContact CD1-CB 4.18Å; L1297-Q1327 HydrophobicContact CD2-CB 3.97Å; V1323-Q1327 PolarHBondContact O-N 3.38Å; C1324-Q1327 PolarHBondContact O-N 2.84Å; Q1327-K1329 PolarHBondContact O-N 3.23Å |
| 1328 | L | 85.2 | Confident | 87.4 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 4.9 | 172.3 | -70.6 | 173.6 | 0 | 0 | 0 | 114.1 | K1294 L1297 L1301 C1324 I1326 Q1330 | K1294-L1328 HydrophobicContact CG-CD2 4.42Å; L1297-L1328 HydrophobicContact CB-CD1 4.39Å; L1297-L1328 HydrophobicContact CB-CD2 3.91Å; L1297-L1328 HydrophobicContact CB-CG 4.13Å; L1297-L1328 HydrophobicContact CD1-CD2 3.65Å; L1297-L1328 HydrophobicContact CD1-CG 4.01Å; L1297-L1328 HydrophobicContact CG-CD2 4.41Å; L1301-L1328 HydrophobicContact CD1-CD1 3.49Å; L1301-L1328 VanDerWaalsContact CD1-CD1 3.49Å; C1324-L1328 WeakPolarHBondContact O-CB 3.37Å; C1324-L1328 WeakPolarHBondContact O-CG 3.46Å; C1324-L1328 PolarHBondContact O-N 3.35Å; I1326-L1328 VanDerWaalsContact C-N 3.31Å; I1326-L1328 PolarHBondContact O-N 3.05Å; L1328-Q1330 HydrophobicContact CB-CG 4.18Å; L1328-Q1330 PolarHBondContact O-N 3.24Å |
| 1329 | K | 82.7 | Confident | 87.5 | Confident | 172 Ų | 172 | 46.8 Ų | 46.8 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 24.3 | -174.5 | -56.7 | -175.4 | 176.6 | -173.9 | 0 | 114 | Y1325 I1326 Q1327 S1331 | Y1325-K1329 PolarHBondContact O-N 3.46Å; I1326-K1329 PolarHBondContact O-N 2.64Å; Q1327-K1329 PolarHBondContact O-N 3.23Å; K1329-S1331 PolarHBondContact O-N 3.45Å |
| 1330 | Q | 88.7 | Confident | 87.4 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 24% | 0.236 | S | C | . | . | trans | -93.6 | 58.6 | 176.4 | -63.2 | -175 | 22.9 | 0 | 0 | 111.3 | Y1325 L1328 Q1332 K1333 A1334 | Y1325-Q1330 HydrophobicContact CD1-CB 4.13Å; Y1325-Q1330 CarbonylContact O-C 3.13Å; Y1325-Q1330 WeakPolarHBondContact O-CA 3.5Å; Y1325-Q1330 PolarHBondContact O-N 3.48Å; L1328-Q1330 HydrophobicContact CB-CG 4.18Å; L1328-Q1330 PolarHBondContact O-N 3.24Å; Q1330-Q1332 VanDerWaalsContact C-N 3.26Å; Q1330-Q1332 PolarHBondContact O-N 3.15Å; Q1330-Q1332 VanDerWaalsContact O-N 3.09Å; Q1330-K1333 PolarHBondContact O-N 2.9Å; Q1330-K1333 VanDerWaalsContact O-N 3.1Å; Q1330-K1333 VanDerWaalsContact OE1-CD 3.29Å; Q1330-A1334 PolarHBondContact O-N 3.41Å | ||
| 1331 | S | 84.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.8 | -35.6 | -170.5 | -48.2 | 0 | 0 | 0 | 0 | 114 | K1329 A1334 R1335 M1364 | K1329-S1331 PolarHBondContact O-N 3.45Å; S1331-A1334 PolarHBondContact O-N 3.22Å; S1331-R1335 WeakPolarHBondContact O-CB 3.48Å; S1331-R1335 PolarHBondContact O-N 2.62Å; S1331-M1364 WeakPolarHBondContact O-CE 3.46Å |
| 1332 | Q | 88 | Confident | 87.3 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -38.9 | -179.2 | -173.5 | 63.2 | 8.4 | 0 | 0 | 112.9 | Q1330 R1335 N1336 | Q1330-Q1332 VanDerWaalsContact C-N 3.26Å; Q1330-Q1332 PolarHBondContact O-N 3.15Å; Q1330-Q1332 VanDerWaalsContact O-N 3.09Å; Q1332-R1335 PolarHBondContact O-N 3.38Å; Q1332-N1336 PolarHBondContact O-N 3.15Å |
| 1333 | K | 89.6 | Confident | 87.1 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 177 | -67.5 | -169.7 | -168.2 | 164.1 | 0 | 111.1 | Y1325 Q1330 R1335 N1336 Q1337 | Y1325-K1333 HydrophobicContact CD1-CB 3.89Å; Y1325-K1333 HydrophobicContact CD1-CD 4.01Å; Y1325-K1333 HydrophobicContact CD2-CB 4.05Å; Y1325-K1333 HydrophobicContact CE1-CB 4.11Å; Y1325-K1333 HydrophobicContact CE1-CD 3.61Å; Y1325-K1333 HydrophobicContact CE2-CB 4.29Å; Y1325-K1333 HydrophobicContact CG-CB 3.88Å; Q1330-K1333 PolarHBondContact O-N 2.9Å; Q1330-K1333 VanDerWaalsContact O-N 3.1Å; Q1330-K1333 VanDerWaalsContact OE1-CD 3.29Å; K1333-R1335 VanDerWaalsContact C-N 3.34Å; K1333-R1335 PolarHBondContact O-N 3.43Å; K1333-N1336 PolarHBondContact O-N 3.08Å; K1333-Q1337 PolarHBondContact O-N 3.09Å |
| 1334 | A | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -49.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1326 Q1330 S1331 N1336 Q1337 L1338 M1364 | I1326-A1334 HydrophobicContact CD1-CB 4.35Å; I1326-A1334 HydrophobicContact CG1-CB 3.62Å; Q1330-A1334 PolarHBondContact O-N 3.41Å; S1331-A1334 PolarHBondContact O-N 3.22Å; A1334-N1336 VanDerWaalsContact C-N 3.27Å; A1334-N1336 PolarHBondContact O-N 2.86Å; A1334-Q1337 PolarHBondContact O-N 3.3Å; A1334-Q1337 VanDerWaalsContact O-N 3.16Å; A1334-L1338 WeakPolarHBondContact O-CG 3.3Å; A1334-L1338 PolarHBondContact O-N 3.4Å; A1334-M1364 HydrophobicContact CB-SD 4.5Å |
| 1335 | R | 89.3 | Confident | 86.6 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 178.5 | -167 | -175.9 | -68.7 | 156.3 | -10.6 | 112.7 | S1331 Q1332 K1333 K1339 L1361 M1364 | S1331-R1335 WeakPolarHBondContact O-CB 3.48Å; S1331-R1335 PolarHBondContact O-N 2.62Å; Q1332-R1335 PolarHBondContact O-N 3.38Å; K1333-R1335 VanDerWaalsContact C-N 3.34Å; K1333-R1335 PolarHBondContact O-N 3.43Å; R1335-K1339 HydrophobicContact CG-CD 4.45Å; R1335-K1339 WeakPolarHBondContact O-CB 3.29Å; R1335-K1339 VanDerWaalsContact O-CG 3.28Å; R1335-K1339 WeakPolarHBondContact O-CG 3.49Å; R1335-K1339 PolarHBondContact O-N 2.99Å; R1335-L1361 HydrophobicContact CG-CD1 4.26Å; R1335-M1364 HydrophobicContact CB-CE 4.01Å; R1335-M1364 HydrophobicContact CB-SD 4.05Å; R1335-M1364 HydrophobicContact CG-SD 4.49Å |
| 1336 | N | 90 | Very high | 86.3 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179 | -72.2 | -11 | 0 | 0 | 0 | 112 | Q1332 K1333 A1334 K1339 R1340 | Q1332-N1336 PolarHBondContact O-N 3.15Å; K1333-N1336 PolarHBondContact O-N 3.08Å; A1334-N1336 VanDerWaalsContact C-N 3.27Å; A1334-N1336 PolarHBondContact O-N 2.86Å; N1336-K1339 PolarHBondContact O-N 3.31Å; N1336-R1340 PolarHBondContact O-N 2.95Å |
| 1337 | Q | 89.1 | Confident | 85.9 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 175.4 | -63.6 | -59.5 | -9.8 | 0 | 0 | 111.6 | I1318 A1322 Y1325 K1333 A1334 K1339 R1340 L1341 | I1318-Q1337 HydrophobicContact CG2-CB 3.88Å; A1322-Q1337 HydrophobicContact CB-CB 4.16Å; Y1325-Q1337 HydrophobicContact CD2-CG 4.33Å; Y1325-Q1337 HydrophobicContact CE2-CG 4.19Å; K1333-Q1337 PolarHBondContact O-N 3.09Å; A1334-Q1337 PolarHBondContact O-N 3.3Å; A1334-Q1337 VanDerWaalsContact O-N 3.16Å; Q1337-K1339 VanDerWaalsContact C-N 3.35Å; Q1337-K1339 PolarHBondContact O-N 2.75Å; Q1337-R1340 VanDerWaalsContact O-CB 3.27Å; Q1337-R1340 WeakPolarHBondContact O-CB 3.28Å; Q1337-R1340 PolarHBondContact O-N 2.89Å; Q1337-R1340 VanDerWaalsContact O-N 3.09Å; Q1337-L1341 PolarHBondContact O-N 2.57Å |
| 1338 | L | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 177.7 | -65.6 | 173.5 | 0 | 0 | 0 | 112.8 | A1322 A1334 R1340 L1341 A1342 L1360 L1361 M1364 | A1322-L1338 HydrophobicContact CB-CD1 4.49Å; A1322-L1338 HydrophobicContact CB-CD2 3.69Å; A1322-L1338 HydrophobicContact CB-CG 3.8Å; A1334-L1338 WeakPolarHBondContact O-CG 3.3Å; A1334-L1338 PolarHBondContact O-N 3.4Å; L1338-R1340 VanDerWaalsContact C-N 3.27Å; L1338-R1340 PolarHBondContact O-N 3.27Å; L1338-L1341 PolarHBondContact O-N 3.31Å; L1338-A1342 PolarHBondContact O-N 3.23Å; L1338-L1360 HydrophobicContact CD1-CB 3.79Å; L1338-L1360 HydrophobicContact CD2-CB 4.21Å; L1338-L1360 HydrophobicContact CD2-CD1 4.29Å; L1338-L1361 HydrophobicContact CB-CB 4.21Å; L1338-L1361 HydrophobicContact CB-CD1 4.08Å; L1338-L1361 HydrophobicContact CD1-CB 4.47Å; L1338-M1364 HydrophobicContact CD1-SD 3.9Å |
| 1339 | K | 89.7 | Confident | 85.1 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -32.4 | 172.8 | -80.6 | 176.9 | 174.9 | -176.9 | 0 | 112.8 | R1335 N1336 Q1337 L1361 Y1365 | R1335-K1339 HydrophobicContact CG-CD 4.45Å; R1335-K1339 WeakPolarHBondContact O-CB 3.29Å; R1335-K1339 VanDerWaalsContact O-CG 3.28Å; R1335-K1339 WeakPolarHBondContact O-CG 3.49Å; R1335-K1339 PolarHBondContact O-N 2.99Å; N1336-K1339 PolarHBondContact O-N 3.31Å; Q1337-K1339 VanDerWaalsContact C-N 3.35Å; Q1337-K1339 PolarHBondContact O-N 2.75Å; K1339-L1361 HydrophobicContact CG-CD1 4.33Å; K1339-Y1365 WeakPolarHBondContact CE-OH 3.18Å |
| 1340 | R | 86.2 | Confident | 84.8 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 173.8 | -171.4 | 178.8 | 175.1 | -160.6 | -2.4 | 110 | P1312 D1313 N1336 Q1337 L1338 A1342 K1343 | P1312-R1340 VanDerWaalsContact C-NH2 3.28Å; P1312-R1340 PolarHBondContact O-NH1 3.46Å; P1312-R1340 PolarHBondContact O-NH2 3.16Å; D1313-R1340 IonicContact OD1-CZ 2.64Å; D1313-R1340 IonicContact OD1-NH2 3.54Å; D1313-R1340 PolarHBondContact OD1-NH2 3.02Å; N1336-R1340 PolarHBondContact O-N 2.95Å; Q1337-R1340 VanDerWaalsContact O-CB 3.27Å; Q1337-R1340 WeakPolarHBondContact O-CB 3.28Å; Q1337-R1340 PolarHBondContact O-N 2.89Å; Q1337-R1340 VanDerWaalsContact O-N 3.09Å; L1338-R1340 VanDerWaalsContact C-N 3.27Å; L1338-R1340 PolarHBondContact O-N 3.27Å; R1340-A1342 PolarHBondContact O-N 3.06Å; R1340-K1343 PolarHBondContact O-N 3.19Å |
| 1341 | L | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 176.5 | -64.6 | -177.3 | 0 | 0 | 0 | 113.9 | V1315 I1318 Q1337 L1338 K1343 V1344 L1354 | V1315-L1341 HydrophobicContact CB-CD2 4.14Å; V1315-L1341 HydrophobicContact CG1-CD1 4.3Å; V1315-L1341 HydrophobicContact CG1-CD2 3.88Å; V1315-L1341 HydrophobicContact CG2-CD2 4.22Å; I1318-L1341 HydrophobicContact CB-CD1 4.19Å; I1318-L1341 HydrophobicContact CB-CD2 3.86Å; I1318-L1341 HydrophobicContact CB-CG 4.16Å; I1318-L1341 HydrophobicContact CD1-CD2 3.98Å; I1318-L1341 HydrophobicContact CG2-CD1 3.83Å; I1318-L1341 HydrophobicContact CG2-CD2 3.75Å; I1318-L1341 HydrophobicContact CG2-CG 3.58Å; Q1337-L1341 PolarHBondContact O-N 2.57Å; L1338-L1341 PolarHBondContact O-N 3.31Å; L1341-K1343 PolarHBondContact O-N 3.43Å; L1341-V1344 PolarHBondContact O-N 3.1Å; L1341-V1344 VanDerWaalsContact O-N 3.11Å; L1341-L1354 HydrophobicContact CB-CD2 4.47Å |
| 1342 | A | 85.4 | Confident | 84.5 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -26 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1338 R1340 L1361 L1377 K1380 | L1338-A1342 PolarHBondContact O-N 3.23Å; R1340-A1342 PolarHBondContact O-N 3.06Å; A1342-L1361 HydrophobicContact CB-CD2 3.88Å; A1342-L1377 HydrophobicContact CB-CD2 4.42Å; A1342-K1380 PolarHBondContact O-NZ 3.37Å |
| 1343 | K | 84.3 | Confident | 84.3 | Confident | 190 Ų | 190 | 53.1 Ų | 53.1 | 83% | 0.826 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -17.1 | 177.6 | -65.9 | -177.7 | 179 | -174.4 | 0 | 113.7 | R1340 L1341 | R1340-K1343 PolarHBondContact O-N 3.19Å; L1341-K1343 PolarHBondContact O-N 3.43Å |
| 1344 | V | 82.2 | Confident | 84.2 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -70.4 | 137.4 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | V1315 L1341 L1354 | V1315-V1344 HydrophobicContact CG2-CG1 4.25Å; L1341-V1344 PolarHBondContact O-N 3.1Å; L1341-V1344 VanDerWaalsContact O-N 3.11Å; V1344-L1354 HydrophobicContact CB-CD2 4.27Å; V1344-L1354 HydrophobicContact CG1-CD2 4.48Å |
| 1345 | S | 80.8 | Confident | 84.2 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -65 | 140.5 | 173.5 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | N1347 | S1345-N1347 PolarHBondContact O-N 3.13Š|
| 1346 | W | 82.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 128.5 | 176 | -177.4 | 89.7 | 0 | 0 | 0 | 110.1 | F1118 F1348 A1351 W1358 Y1384 | F1118-W1346 HydrophobicContact CE1-CH2 4.12Å; F1118-W1346 AromaticContact CZ-CH2 3.7Å; F1118-W1346 HydrophobicContact CZ-CH2 3.7Å; F1118-W1346 AromaticContact CZ-CZ2 3.92Å; F1118-W1346 HydrophobicContact CZ-CZ2 3.92Å; W1346-F1348 HydrophobicContact CH2-CB 3.94Å; W1346-F1348 HydrophobicContact CH2-CD2 4.12Å; W1346-F1348 HydrophobicContact CZ2-CD2 4.41Å; W1346-F1348 HydrophobicContact CZ3-CB 4.37Å; W1346-A1351 HydrophobicContact CZ2-CB 3.95Å; W1346-W1358 HydrophobicContact CB-CH2 4.33Å; W1346-W1358 AromaticContact CD1-CH2 3.87Å; W1346-Y1384 HydrophobicContact CB-CD2 4.26Å; W1346-Y1384 HydrophobicContact CB-CE1 4Å; W1346-Y1384 HydrophobicContact CB-CE2 3.74Å; W1346-Y1384 AromaticContact CD1-CD1 3.98Å; W1346-Y1384 AromaticContact CD1-CD2 3.71Å; W1346-Y1384 AromaticContact CD1-CG 3.65Å; W1346-Y1384 AromaticContact CD2-CD1 3.46Å; W1346-Y1384 HydrophobicContact CD2-CD1 3.46Å; W1346-Y1384 VanDerWaalsContact CD2-CD1 3.46Å; W1346-Y1384 HydrophobicContact CD2-CD2 4.47Å; W1346-Y1384 AromaticContact CD2-CE1 3.52Å; W1346-Y1384 HydrophobicContact CD2-CE1 3.52Å; W1346-Y1384 AromaticContact CD2-CG 3.97Å; W1346-Y1384 HydrophobicContact CD2-CG 3.97Å; W1346-Y1384 AromaticContact CE2-CD1 3.57Å; W1346-Y1384 AromaticContact CE2-CG 3.85Å; W1346-Y1384 AromaticContact CE3-CD1 3.9Å; W1346-Y1384 HydrophobicContact CE3-CD1 3.9Å; W1346-Y1384 AromaticContact CE3-CE1 3.66Å; W1346-Y1384 HydrophobicContact CE3-CE1 3.66Å; W1346-Y1384 AromaticContact CG-CD1 3.75Å; W1346-Y1384 HydrophobicContact CG-CD1 3.75Å; W1346-Y1384 AromaticContact CG-CD2 3.88Å; W1346-Y1384 HydrophobicContact CG-CD2 3.88Å; W1346-Y1384 AromaticContact CG-CE1 3.69Å; W1346-Y1384 HydrophobicContact CG-CE1 3.69Å; W1346-Y1384 AromaticContact CG-CE2 3.84Å; W1346-Y1384 HydrophobicContact CG-CE2 3.84Å; W1346-Y1384 AromaticContact CG-CG 3.84Å; W1346-Y1384 HydrophobicContact CG-CG 3.84Å; W1346-Y1384 AromaticContact CG-CZ 3.73Å; W1346-Y1384 HydrophobicContact CH2-CD1 4.45Å; W1346-Y1384 HydrophobicContact CZ2-CD1 4.08Å; W1346-Y1384 HydrophobicContact CZ3-CD1 4.37Å; W1346-Y1384 HydrophobicContact CZ3-CE1 4.35Å; W1346-Y1384 AromaticContact NE1-CD1 3.85Å; W1346-Y1384 AromaticContact NE1-CG 3.63Å |
| 1347 | N | 78.2 | Confident | 84.1 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | trans | -123.5 | 149.7 | 171 | 62.5 | 6.2 | 0 | 0 | 0 | 108 | S1345 Q1349 D1350 A1351 L1354 | S1345-N1347 PolarHBondContact O-N 3.13Å; N1347-Q1349 VanDerWaalsContact C-N 3.31Å; N1347-Q1349 PolarHBondContact O-N 3.37Å; N1347-D1350 PolarHBondContact ND2-OD2 3.22Å; N1347-D1350 WeakPolarHBondContact OD1-CA 3.13Å; N1347-D1350 VanDerWaalsContact OD1-CB 3.25Å; N1347-D1350 WeakPolarHBondContact OD1-CB 3.35Å; N1347-D1350 PolarHBondContact OD1-N 3.27Å; N1347-A1351 WeakPolarHBondContact O-CA 3.04Å; N1347-A1351 WeakPolarHBondContact O-CB 3.12Å; N1347-A1351 PolarHBondContact O-N 3.06Å; N1347-L1354 WeakPolarHBondContact OD1-CD1 3.4Å | ||
| 1348 | F | 76.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -66.9 | -35.4 | -179 | 176.9 | -106.2 | 0 | 0 | 0 | 112.2 | I1113 D1144 W1346 A1351 | I1113-F1348 HydrophobicContact CG2-CD1 4.02Å; I1113-F1348 HydrophobicContact CG2-CD2 3.37Å; I1113-F1348 HydrophobicContact CG2-CE1 3.97Å; I1113-F1348 HydrophobicContact CG2-CE2 3.3Å; I1113-F1348 HydrophobicContact CG2-CG 3.74Å; I1113-F1348 HydrophobicContact CG2-CZ 3.62Å; D1144-F1348 WeakPolarHBondContact OD2-CE2 3.46Å; W1346-F1348 HydrophobicContact CH2-CB 3.94Å; W1346-F1348 HydrophobicContact CH2-CD2 4.12Å; W1346-F1348 HydrophobicContact CZ2-CD2 4.41Å; W1346-F1348 HydrophobicContact CZ3-CB 4.37Å; F1348-A1351 VanDerWaalsContact O-CB 3.22Å; F1348-A1351 WeakPolarHBondContact O-CB 3.36Å; F1348-A1351 PolarHBondContact O-N 3.29Å |
| 1349 | Q | 73.4 | Confident | 84.2 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -38.6 | -172.3 | -66.8 | 158.9 | 14.1 | 0 | 0 | 113.7 | Y928 N1347 | Y928-Q1349 HydrophobicContact CE1-CG 4.36Å; Y928-Q1349 HydrophobicContact CE2-CG 4.08Å; Y928-Q1349 VanDerWaalsContact CZ-OE1 3.32Å; Y928-Q1349 WeakPolarHBondContact OH-CG 3.28Å; Y928-Q1349 PolarHBondContact OH-NE2 2.98Å; N1347-Q1349 VanDerWaalsContact C-N 3.31Å; N1347-Q1349 PolarHBondContact O-N 3.37Å |
| 1350 | D | 77.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 19.8 | 176.5 | -49.5 | -62.8 | 0 | 0 | 0 | 111.6 | V1315 N1347 E1352 E1353 L1354 | V1315-D1350 HydrophobicContact CB-CB 3.55Å; V1315-D1350 HydrophobicContact CG1-CB 3.88Å; V1315-D1350 HydrophobicContact CG2-CB 3.75Å; N1347-D1350 PolarHBondContact ND2-OD2 3.22Å; N1347-D1350 WeakPolarHBondContact OD1-CA 3.13Å; N1347-D1350 VanDerWaalsContact OD1-CB 3.25Å; N1347-D1350 WeakPolarHBondContact OD1-CB 3.35Å; N1347-D1350 PolarHBondContact OD1-N 3.27Å; D1350-E1352 VanDerWaalsContact C-N 3.32Å; D1350-E1352 PolarHBondContact O-N 3.23Å; D1350-E1353 PolarHBondContact O-N 3.16Å; D1350-L1354 HydrophobicContact CB-CG 4.43Å; D1350-L1354 WeakPolarHBondContact O-CB 3.42Å; D1350-L1354 WeakPolarHBondContact O-CG 3.06Å; D1350-L1354 PolarHBondContact O-N 3.25Å |
| 1351 | A | 83.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1148 W1346 N1347 F1348 E1355 | R1148-A1351 VanDerWaalsContact NH2-CB 3.33Å; W1346-A1351 HydrophobicContact CZ2-CB 3.95Å; N1347-A1351 WeakPolarHBondContact O-CA 3.04Å; N1347-A1351 WeakPolarHBondContact O-CB 3.12Å; N1347-A1351 PolarHBondContact O-N 3.06Å; F1348-A1351 VanDerWaalsContact O-CB 3.22Å; F1348-A1351 WeakPolarHBondContact O-CB 3.36Å; F1348-A1351 PolarHBondContact O-N 3.29Å; A1351-E1355 VanDerWaalsContact O-CB 3.26Å; A1351-E1355 WeakPolarHBondContact O-CB 3.46Å; A1351-E1355 WeakPolarHBondContact O-CG 3.41Å; A1351-E1355 PolarHBondContact O-N 3.23Å |
| 1352 | E | 82.8 | Confident | 84.3 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.6 | -69.6 | -174.6 | -166.3 | 0 | 0 | 112 | R1212 D1350 K1356 | R1212-E1352 IonicContact CZ-OE1 3.72Å; R1212-E1352 IonicContact CZ-OE2 3.41Å; R1212-E1352 IonicContact NH1-OE1 2.65Å; R1212-E1352 PolarHBondContact NH1-OE1 3.19Å; R1212-E1352 IonicContact NH1-OE2 3.46Å; R1212-E1352 PolarHBondContact NH1-OE2 2.72Å; R1212-E1352 IonicContact NH2-OE1 3.93Å; R1212-E1352 PolarHBondContact NH2-OE1 3.05Å; R1212-E1352 IonicContact NH2-OE2 3.34Å; D1350-E1352 VanDerWaalsContact C-N 3.32Å; D1350-E1352 PolarHBondContact O-N 3.23Å; E1352-K1356 WeakPolarHBondContact O-CB 3.46Å; E1352-K1356 WeakPolarHBondContact O-CD 3.37Å; E1352-K1356 WeakPolarHBondContact O-CG 3.1Å; E1352-K1356 PolarHBondContact O-N 3.5Å; E1352-K1356 IonicContact OE2-NZ 2.74Å |
| 1353 | E | 85.9 | Confident | 84.4 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -38.6 | 179.8 | -68.1 | 69.6 | -154 | 0 | 0 | 111.6 | R1279 F1282 V1315 A1316 Y1319 D1350 S1357 | R1279-E1353 IonicContact CZ-OE1 3.99Å; R1279-E1353 VanDerWaalsContact CZ-OE1 3.24Å; R1279-E1353 VanDerWaalsContact NH1-CD 3.33Å; R1279-E1353 IonicContact NH1-OE1 3.33Å; R1279-E1353 PolarHBondContact NH1-OE1 3Å; R1279-E1353 IonicContact NH1-OE2 2.64Å; R1279-E1353 IonicContact NH2-OE1 2.92Å; R1279-E1353 PolarHBondContact NH2-OE1 2.97Å; F1282-E1353 HydrophobicContact CE1-CG 4.38Å; F1282-E1353 HydrophobicContact CZ-CG 4.2Å; V1315-E1353 HydrophobicContact CG1-CB 3.82Å; A1316-E1353 HydrophobicContact CB-CG 4.14Å; Y1319-E1353 HydrophobicContact CD1-CB 4.39Å; Y1319-E1353 HydrophobicContact CD1-CG 4.13Å; Y1319-E1353 HydrophobicContact CG-CB 4.31Å; D1350-E1353 PolarHBondContact O-N 3.16Å; E1353-S1357 WeakPolarHBondContact O-CB 3.47Å; E1353-S1357 PolarHBondContact O-N 2.91Å; E1353-S1357 PolarHBondContact O-OG 3.44Å |
| 1354 | L | 86.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -50.4 | 173.4 | -77.3 | 176.1 | 0 | 0 | 0 | 110.8 | V1315 L1341 V1344 N1347 D1350 K1356 S1357 W1358 | V1315-L1354 HydrophobicContact CB-CD2 4.38Å; V1315-L1354 HydrophobicContact CB-CG 4.49Å; V1315-L1354 HydrophobicContact CG1-CD2 3.62Å; V1315-L1354 HydrophobicContact CG1-CG 3.72Å; V1315-L1354 HydrophobicContact CG2-CD1 4.48Å; V1315-L1354 HydrophobicContact CG2-CD2 3.8Å; V1315-L1354 HydrophobicContact CG2-CG 4.06Å; L1341-L1354 HydrophobicContact CB-CD2 4.47Å; V1344-L1354 HydrophobicContact CB-CD2 4.27Å; V1344-L1354 HydrophobicContact CG1-CD2 4.48Å; N1347-L1354 WeakPolarHBondContact OD1-CD1 3.4Å; D1350-L1354 HydrophobicContact CB-CG 4.43Å; D1350-L1354 WeakPolarHBondContact O-CB 3.42Å; D1350-L1354 WeakPolarHBondContact O-CG 3.06Å; D1350-L1354 PolarHBondContact O-N 3.25Å; L1354-K1356 PolarHBondContact O-N 2.98Å; L1354-S1357 PolarHBondContact O-N 3.23Å; L1354-S1357 PolarHBondContact O-OG 3Å; L1354-W1358 HydrophobicContact CB-CZ2 4.13Å; L1354-W1358 VanDerWaalsContact O-CG 3.23Å; L1354-W1358 PolarHBondContact O-N 2.93Å |
| 1355 | E | 88.1 | Confident | 84.8 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 178.1 | -71.5 | 166.3 | -150.5 | 0 | 0 | 111.2 | R1147 R1148 A1351 S1357 W1358 L1359 N1385 | R1147-E1355 IonicContact NH1-OE2 2.73Å; R1148-E1355 IonicContact CZ-OE1 3.15Å; R1148-E1355 IonicContact NH1-OE1 3.58Å; R1148-E1355 PolarHBondContact NH1-OE1 3.29Å; A1351-E1355 VanDerWaalsContact O-CB 3.26Å; A1351-E1355 WeakPolarHBondContact O-CB 3.46Å; A1351-E1355 WeakPolarHBondContact O-CG 3.41Å; A1351-E1355 PolarHBondContact O-N 3.23Å; E1355-S1357 VanDerWaalsContact C-N 3.34Å; E1355-S1357 PolarHBondContact O-N 2.95Å; E1355-W1358 HydrophobicContact CG-CZ3 4.47Å; E1355-W1358 PolarHBondContact O-N 3.24Å; E1355-L1359 WeakPolarHBondContact O-CG 3.31Å; E1355-L1359 PolarHBondContact O-N 2.65Å; E1355-N1385 WeakPolarHBondContact OE2-CB 3.47Å; E1355-N1385 PolarHBondContact OE2-ND2 3.24Å |
| 1356 | K | 87.4 | Confident | 85.1 | Confident | 63 Ų | 63 | 20.9 Ų | 20.9 | 27% | 0.274 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.8 | -72.2 | 166.9 | -176.6 | 167.2 | 0 | 112.1 | Y1319 E1352 L1354 L1359 L1360 | Y1319-K1356 HydrophobicContact CD2-CB 4.47Å; Y1319-K1356 HydrophobicContact CE2-CB 3.63Å; E1352-K1356 WeakPolarHBondContact O-CB 3.46Å; E1352-K1356 WeakPolarHBondContact O-CD 3.37Å; E1352-K1356 WeakPolarHBondContact O-CG 3.1Å; E1352-K1356 PolarHBondContact O-N 3.5Å; E1352-K1356 IonicContact OE2-NZ 2.74Å; L1354-K1356 PolarHBondContact O-N 2.98Å; K1356-L1359 PolarHBondContact O-N 3.22Å; K1356-L1360 WeakPolarHBondContact O-CG 3.4Å; K1356-L1360 PolarHBondContact O-N 3.46Å |
| 1357 | S | 89 | Confident | 85.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.8 | 80.1 | 0 | 0 | 0 | 0 | 112.3 | E1353 L1354 E1355 L1360 L1361 | E1353-S1357 WeakPolarHBondContact O-CB 3.47Å; E1353-S1357 PolarHBondContact O-N 2.91Å; E1353-S1357 PolarHBondContact O-OG 3.44Å; L1354-S1357 PolarHBondContact O-N 3.23Å; L1354-S1357 PolarHBondContact O-OG 3Å; E1355-S1357 VanDerWaalsContact C-N 3.34Å; E1355-S1357 PolarHBondContact O-N 2.95Å; S1357-L1360 PolarHBondContact O-N 3.36Å; S1357-L1361 WeakPolarHBondContact O-CB 3.12Å; S1357-L1361 PolarHBondContact O-N 2.97Å |
| 1358 | W | 90.7 | Very high | 85.4 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 175.9 | -59.7 | -18.3 | 0 | 0 | 0 | 110.7 | W1346 L1354 E1355 L1361 V1362 K1380 C1381 Y1384 | W1346-W1358 HydrophobicContact CB-CH2 4.33Å; W1346-W1358 AromaticContact CD1-CH2 3.87Å; L1354-W1358 HydrophobicContact CB-CZ2 4.13Å; L1354-W1358 VanDerWaalsContact O-CG 3.23Å; L1354-W1358 PolarHBondContact O-N 2.93Å; E1355-W1358 HydrophobicContact CG-CZ3 4.47Å; E1355-W1358 PolarHBondContact O-N 3.24Å; W1358-L1361 PolarHBondContact O-N 3.31Å; W1358-V1362 VanDerWaalsContact O-CG2 3.25Å; W1358-V1362 WeakPolarHBondContact O-CG2 3.36Å; W1358-V1362 PolarHBondContact O-N 2.9Å; W1358-K1380 HydrophobicContact CE3-CG 4.38Å; W1358-K1380 HydrophobicContact CH2-CD 4.25Å; W1358-K1380 HydrophobicContact CH2-CG 4.11Å; W1358-K1380 HydrophobicContact CZ2-CD 4.18Å; W1358-K1380 VanDerWaalsContact CZ2-CE 3.48Å; W1358-K1380 HydrophobicContact CZ3-CD 4.49Å; W1358-K1380 HydrophobicContact CZ3-CG 4.03Å; W1358-C1381 HydrophobicContact CE3-CB 4.15Å; W1358-Y1384 HydrophobicContact CH2-CD2 4.32Å; W1358-Y1384 HydrophobicContact CZ3-CD2 4.27Å |
| 1359 | L | 89.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 24.6 Ų | 24.6 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 174.8 | -67.7 | 171.4 | 0 | 0 | 0 | 112.4 | L1224 E1355 K1356 L1361 V1362 D1363 L1378 K1390 A1391 Y1394 | L1224-L1359 HydrophobicContact CD1-CB 4.05Å; L1224-L1359 HydrophobicContact CD1-CD1 4.44Å; L1224-L1359 HydrophobicContact CD2-CB 4.16Å; E1355-L1359 WeakPolarHBondContact O-CG 3.31Å; E1355-L1359 PolarHBondContact O-N 2.65Å; K1356-L1359 PolarHBondContact O-N 3.22Å; L1359-L1361 VanDerWaalsContact C-N 3.35Å; L1359-V1362 WeakPolarHBondContact O-CB 3.41Å; L1359-V1362 PolarHBondContact O-N 3.47Å; L1359-D1363 PolarHBondContact O-N 3.19Å; L1359-L1378 HydrophobicContact CD2-CD2 3.95Å; L1359-K1390 HydrophobicContact CD1-CB 4.13Å; L1359-K1390 HydrophobicContact CD1-CG 4.42Å; L1359-A1391 HydrophobicContact CD2-CB 4Å; L1359-Y1394 HydrophobicContact CB-CE2 4.28Å; L1359-Y1394 HydrophobicContact CD2-CD2 3.86Å; L1359-Y1394 HydrophobicContact CD2-CE2 4.11Å |
| 1360 | L | 87.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -42 | 173.9 | -79.2 | 172.5 | 0 | 0 | 0 | 111.4 | L1224 Y1319 V1323 I1326 L1338 K1356 S1357 V1362 D1363 M1364 | L1224-L1360 HydrophobicContact CD2-CB 4.21Å; L1224-L1360 HydrophobicContact CD2-CD2 3.36Å; L1224-L1360 HydrophobicContact CD2-CG 3.6Å; L1224-L1360 HydrophobicContact CG-CD2 3.75Å; L1224-L1360 HydrophobicContact CG-CG 3.99Å; Y1319-L1360 HydrophobicContact CD2-CD1 4.1Å; Y1319-L1360 HydrophobicContact CE2-CD1 3.47Å; Y1319-L1360 VanDerWaalsContact CE2-CD1 3.47Å; V1323-L1360 HydrophobicContact CG2-CD1 4.14Å; I1326-L1360 HydrophobicContact CD1-CD1 4.39Å; I1326-L1360 HydrophobicContact CD1-CD2 3.97Å; L1338-L1360 HydrophobicContact CD1-CB 3.79Å; L1338-L1360 HydrophobicContact CD2-CB 4.21Å; L1338-L1360 HydrophobicContact CD2-CD1 4.29Å; K1356-L1360 WeakPolarHBondContact O-CG 3.4Å; K1356-L1360 PolarHBondContact O-N 3.46Å; S1357-L1360 PolarHBondContact O-N 3.36Å; L1360-V1362 VanDerWaalsContact C-N 3.32Å; L1360-V1362 PolarHBondContact O-N 3.35Å; L1360-D1363 WeakPolarHBondContact O-CB 3.44Å; L1360-D1363 PolarHBondContact O-N 3.39Å; L1360-M1364 WeakPolarHBondContact O-CG 3.25Å; L1360-M1364 PolarHBondContact O-N 3.23Å |
| 1361 | L | 89.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 177.8 | -173.8 | 59.3 | 0 | 0 | 0 | 111.6 | R1335 L1338 K1339 A1342 S1357 W1358 L1359 M1364 Y1365 L1377 | R1335-L1361 HydrophobicContact CG-CD1 4.26Å; L1338-L1361 HydrophobicContact CB-CB 4.21Å; L1338-L1361 HydrophobicContact CB-CD1 4.08Å; L1338-L1361 HydrophobicContact CD1-CB 4.47Å; K1339-L1361 HydrophobicContact CG-CD1 4.33Å; A1342-L1361 HydrophobicContact CB-CD2 3.88Å; S1357-L1361 WeakPolarHBondContact O-CB 3.12Å; S1357-L1361 PolarHBondContact O-N 2.97Å; W1358-L1361 PolarHBondContact O-N 3.31Å; L1359-L1361 VanDerWaalsContact C-N 3.35Å; L1361-M1364 PolarHBondContact O-N 3.49Å; L1361-Y1365 HydrophobicContact CD1-CD2 4.25Å; L1361-Y1365 HydrophobicContact CD1-CE1 4.24Å; L1361-Y1365 HydrophobicContact CD1-CE2 3.77Å; L1361-Y1365 HydrophobicContact CD2-CE2 3.87Å; L1361-Y1365 HydrophobicContact CG-CD2 3.9Å; L1361-Y1365 HydrophobicContact CG-CE2 3.54Å; L1361-Y1365 WeakPolarHBondContact O-CB 3.42Å; L1361-Y1365 WeakPolarHBondContact O-CD2 3.35Å; L1361-Y1365 PolarHBondContact O-N 3.2Å; L1361-L1377 HydrophobicContact CB-CD1 4.4Å; L1361-L1377 HydrophobicContact CD2-CD1 3.75Å; L1361-L1377 HydrophobicContact CG-CD1 3.96Å |
| 1362 | V | 89.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 172.8 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | W1358 L1359 L1360 M1364 Y1365 I1366 C1374 L1377 L1378 Y1394 | W1358-V1362 VanDerWaalsContact O-CG2 3.25Å; W1358-V1362 WeakPolarHBondContact O-CG2 3.36Å; W1358-V1362 PolarHBondContact O-N 2.9Å; L1359-V1362 WeakPolarHBondContact O-CB 3.41Å; L1359-V1362 PolarHBondContact O-N 3.47Å; L1360-V1362 VanDerWaalsContact C-N 3.32Å; L1360-V1362 PolarHBondContact O-N 3.35Å; V1362-M1364 VanDerWaalsContact C-N 3.33Å; V1362-M1364 PolarHBondContact O-N 3.16Å; V1362-Y1365 PolarHBondContact O-N 3.44Å; V1362-I1366 HydrophobicContact CG1-CD1 3.54Å; V1362-I1366 HydrophobicContact CG1-CG1 4.09Å; V1362-I1366 WeakPolarHBondContact O-CB 3.06Å; V1362-I1366 VanDerWaalsContact O-CG1 3.26Å; V1362-I1366 WeakPolarHBondContact O-CG1 3.27Å; V1362-I1366 PolarHBondContact O-N 2.66Å; V1362-C1374 HydrophobicContact CG1-CB 4.05Å; V1362-C1374 HydrophobicContact CG2-CB 4.48Å; V1362-L1377 HydrophobicContact CG2-CB 3.65Å; V1362-L1377 HydrophobicContact CG2-CD1 4.12Å; V1362-L1378 HydrophobicContact CB-CD2 4.46Å; V1362-L1378 HydrophobicContact CG1-CD1 4.15Å; V1362-L1378 HydrophobicContact CG1-CD2 4.03Å; V1362-L1378 HydrophobicContact CG1-CG 4.05Å; V1362-L1378 HydrophobicContact CG2-CD2 4.06Å; V1362-L1378 HydrophobicContact CG2-CG 3.93Å; V1362-Y1394 HydrophobicContact CG1-CD1 4.38Å; V1362-Y1394 HydrophobicContact CG1-CD2 3.95Å; V1362-Y1394 HydrophobicContact CG1-CE2 4.5Å; V1362-Y1394 HydrophobicContact CG1-CG 3.9Å |
| 1363 | D | 86.9 | Confident | 86.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 8% | 0.08 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -48.3 | 176.4 | -161.8 | 74.4 | 0 | 0 | 0 | 111.5 | T1227 L1359 L1360 Y1365 I1366 Q1367 Y1394 | T1227-D1363 HydrophobicContact CG2-CB 4.42Å; L1359-D1363 PolarHBondContact O-N 3.19Å; L1360-D1363 WeakPolarHBondContact O-CB 3.44Å; L1360-D1363 PolarHBondContact O-N 3.39Å; D1363-Y1365 VanDerWaalsContact C-N 3.3Å; D1363-Y1365 PolarHBondContact O-N 2.96Å; D1363-I1366 PolarHBondContact O-N 3.46Å; D1363-Q1367 WeakPolarHBondContact O-CG 3.47Å; D1363-Q1367 PolarHBondContact O-N 2.79Å; D1363-Q1367 VanDerWaalsContact O-N 3.09Å; D1363-Q1367 PolarHBondContact OD2-NE2 3.43Å; D1363-Y1394 HydrophobicContact CB-CE1 4.39Å; D1363-Y1394 WeakPolarHBondContact CB-OH 3.13Å; D1363-Y1394 WeakPolarHBondContact OD1-CE1 3.43Å; D1363-Y1394 PolarHBondContact OD1-OH 3.33Å |
| 1364 | M | 85.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.064 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -33.7 | 176.2 | -65.7 | -165.5 | 85.5 | 0 | 0 | 113.2 | S1331 A1334 R1335 L1338 L1360 L1361 V1362 S1368 | S1331-M1364 WeakPolarHBondContact O-CE 3.46Å; A1334-M1364 HydrophobicContact CB-SD 4.5Å; R1335-M1364 HydrophobicContact CB-CE 4.01Å; R1335-M1364 HydrophobicContact CB-SD 4.05Å; R1335-M1364 HydrophobicContact CG-SD 4.49Å; L1338-M1364 HydrophobicContact CD1-SD 3.9Å; L1360-M1364 WeakPolarHBondContact O-CG 3.25Å; L1360-M1364 PolarHBondContact O-N 3.23Å; L1361-M1364 PolarHBondContact O-N 3.49Å; V1362-M1364 VanDerWaalsContact C-N 3.33Å; V1362-M1364 PolarHBondContact O-N 3.16Å; M1364-S1368 PolarHBondContact O-N 3.02Å |
| 1365 | Y | 89 | Confident | 87.2 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 9% | 0.09 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -78.4 | -35 | 178.6 | -77.7 | -30.2 | 0 | 0 | 0 | 113.2 | K1339 L1361 V1362 D1363 Q1367 S1368 G1369 K1370 V1373 C1374 L1377 | K1339-Y1365 WeakPolarHBondContact CE-OH 3.18Å; L1361-Y1365 HydrophobicContact CD1-CD2 4.25Å; L1361-Y1365 HydrophobicContact CD1-CE1 4.24Å; L1361-Y1365 HydrophobicContact CD1-CE2 3.77Å; L1361-Y1365 HydrophobicContact CD2-CE2 3.87Å; L1361-Y1365 HydrophobicContact CG-CD2 3.9Å; L1361-Y1365 HydrophobicContact CG-CE2 3.54Å; L1361-Y1365 WeakPolarHBondContact O-CB 3.42Å; L1361-Y1365 WeakPolarHBondContact O-CD2 3.35Å; L1361-Y1365 PolarHBondContact O-N 3.2Å; V1362-Y1365 PolarHBondContact O-N 3.44Å; D1363-Y1365 VanDerWaalsContact C-N 3.3Å; D1363-Y1365 PolarHBondContact O-N 2.96Å; Y1365-Q1367 VanDerWaalsContact C-N 3.29Å; Y1365-Q1367 PolarHBondContact O-N 3.48Å; Y1365-S1368 VanDerWaalsContact CA-OG 3.31Å; Y1365-S1368 WeakPolarHBondContact CA-OG 3.48Å; Y1365-S1368 CarbonylContact O-C 3.45Å; Y1365-S1368 WeakPolarHBondContact O-CA 3.46Å; Y1365-S1368 PolarHBondContact O-N 3.12Å; Y1365-S1368 PolarHBondContact O-OG 2.76Å; Y1365-G1369 PolarHBondContact O-N 3.4Å; Y1365-K1370 HydrophobicContact CD1-CD 4.19Å; Y1365-K1370 HydrophobicContact CE1-CD 4.4Å; Y1365-K1370 PolarHBondContact O-N 2.91Å; Y1365-V1373 HydrophobicContact CD2-CB 4.42Å; Y1365-V1373 HydrophobicContact CD2-CG1 3.9Å; Y1365-V1373 HydrophobicContact CE2-CG1 3.61Å; Y1365-C1374 WeakPolarHBondContact CB-SG 3.45Å; Y1365-L1377 HydrophobicContact CD2-CD1 3.93Å; Y1365-L1377 HydrophobicContact CE2-CD1 3.88Å |
| 1366 | I | 86.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 171.9 | -71.7 | 171.9 | 0 | 0 | 0 | 110.4 | V1362 D1363 S1368 G1369 C1374 Y1394 L1397 I1398 K1401 | V1362-I1366 HydrophobicContact CG1-CD1 3.54Å; V1362-I1366 HydrophobicContact CG1-CG1 4.09Å; V1362-I1366 WeakPolarHBondContact O-CB 3.06Å; V1362-I1366 VanDerWaalsContact O-CG1 3.26Å; V1362-I1366 WeakPolarHBondContact O-CG1 3.27Å; V1362-I1366 PolarHBondContact O-N 2.66Å; D1363-I1366 PolarHBondContact O-N 3.46Å; I1366-S1368 VanDerWaalsContact C-N 3.3Å; I1366-G1369 PolarHBondContact O-N 3.42Å; I1366-C1374 HydrophobicContact CG1-CB 4.43Å; I1366-Y1394 HydrophobicContact CD1-CD1 3.4Å; I1366-Y1394 VanDerWaalsContact CD1-CD1 3.4Å; I1366-Y1394 HydrophobicContact CD1-CE1 4.03Å; I1366-Y1394 HydrophobicContact CD1-CG 3.98Å; I1366-L1397 HydrophobicContact CD1-CD2 4.08Å; I1366-L1397 HydrophobicContact CG2-CD2 3.49Å; I1366-L1397 VanDerWaalsContact CG2-CD2 3.49Å; I1366-I1398 HydrophobicContact CD1-CD1 4.42Å; I1366-I1398 HydrophobicContact CD1-CG1 4.26Å; I1366-I1398 HydrophobicContact CG1-CG1 4.36Å; I1366-K1401 PolarHBondContact O-NZ 3.05Å; I1366-K1401 VanDerWaalsContact O-NZ 3.16Å |
| 1367 | Q | 83.4 | Confident | 87.4 | Confident | 123 Ų | 123 | 41.5 Ų | 41.5 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.9 | -32 | 172.4 | -67.6 | 175 | 15.2 | 0 | 0 | 112.2 | D1363 Y1365 | D1363-Q1367 WeakPolarHBondContact O-CG 3.47Å; D1363-Q1367 PolarHBondContact O-N 2.79Å; D1363-Q1367 VanDerWaalsContact O-N 3.09Å; D1363-Q1367 PolarHBondContact OD2-NE2 3.43Å; Y1365-Q1367 VanDerWaalsContact C-N 3.29Å; Y1365-Q1367 PolarHBondContact O-N 3.48Å |
| 1368 | S | 83.4 | Confident | 87.5 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1.3 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 115.4 | M1364 Y1365 I1366 | M1364-S1368 PolarHBondContact O-N 3.02Å; Y1365-S1368 VanDerWaalsContact CA-OG 3.31Å; Y1365-S1368 WeakPolarHBondContact CA-OG 3.48Å; Y1365-S1368 CarbonylContact O-C 3.45Å; Y1365-S1368 WeakPolarHBondContact O-CA 3.46Å; Y1365-S1368 PolarHBondContact O-N 3.12Å; Y1365-S1368 PolarHBondContact O-OG 2.76Å; I1366-S1368 VanDerWaalsContact C-N 3.3Å |
| 1369 | G | 81.1 | Confident | 87.5 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 9.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y1365 I1366 L1371 | Y1365-G1369 PolarHBondContact O-N 3.4Å; I1366-G1369 PolarHBondContact O-N 3.42Å; G1369-L1371 PolarHBondContact O-N 3.06Å |
| 1370 | K | 86.2 | Confident | 87.4 | Confident | 115 Ų | 115 | 50.3 Ų | 50.3 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | trans | -89.7 | 70.9 | -176.9 | -65.5 | -175.3 | 178.9 | -170 | 0 | 112.2 | Y1365 C1374 | Y1365-K1370 HydrophobicContact CD1-CD 4.19Å; Y1365-K1370 HydrophobicContact CE1-CD 4.4Å; Y1365-K1370 PolarHBondContact O-N 2.91Å; K1370-C1374 PolarHBondContact O-N 3.33Å; K1370-C1374 PolarHBondContact O-SG 2.99Å | ||
| 1371 | L | 85.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | -169.6 | -57.8 | -180 | 0 | 0 | 0 | 114.1 | G1369 V1373 C1374 Q1375 I1398 K1401 E1402 | G1369-L1371 PolarHBondContact O-N 3.06Å; L1371-V1373 PolarHBondContact O-N 3.04Å; L1371-C1374 VanDerWaalsContact O-CB 3.27Å; L1371-C1374 WeakPolarHBondContact O-CB 3.29Å; L1371-C1374 PolarHBondContact O-N 2.94Å; L1371-C1374 VanDerWaalsContact O-N 3.11Å; L1371-Q1375 PolarHBondContact O-N 3.43Å; L1371-I1398 HydrophobicContact CB-CG2 4.36Å; L1371-I1398 HydrophobicContact CD2-CG1 4.37Å; L1371-K1401 HydrophobicContact CD1-CB 4.13Å; L1371-K1401 HydrophobicContact CD2-CD 3.98Å; L1371-E1402 HydrophobicContact CD1-CG 4.27Å |
| 1372 | E | 85.3 | Confident | 87.4 | Confident | 160 Ų | 160 | 51.3 Ų | 51.3 | 75% | 0.748 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.4 | -46.7 | -178 | -64.9 | 175.6 | 176.4 | 0 | 0 | 112.4 | C1374 Q1375 E1376 | E1372-C1374 PolarHBondContact O-N 3.46Å; E1372-Q1375 WeakPolarHBondContact O-CB 3.32Å; E1372-Q1375 PolarHBondContact O-N 3.32Å; E1372-Q1375 VanDerWaalsContact O-N 3.12Å; E1372-E1376 PolarHBondContact O-N 3.17Å |
| 1373 | V | 87.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 111 | Y1365 L1371 E1376 L1377 | Y1365-V1373 HydrophobicContact CD2-CB 4.42Å; Y1365-V1373 HydrophobicContact CD2-CG1 3.9Å; Y1365-V1373 HydrophobicContact CE2-CG1 3.61Å; L1371-V1373 PolarHBondContact O-N 3.04Å; V1373-E1376 PolarHBondContact O-N 2.79Å; V1373-L1377 HydrophobicContact CG1-CD1 4.31Å; V1373-L1377 WeakPolarHBondContact O-CG 3.4Å; V1373-L1377 PolarHBondContact O-N 3.15Å; V1373-L1377 VanDerWaalsContact O-N 3.12Å |
| 1374 | C | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.9 | -62 | 0 | 0 | 0 | 0 | 111.4 | V1362 Y1365 I1366 K1370 L1371 E1372 E1376 L1377 L1378 I1398 | V1362-C1374 HydrophobicContact CG1-CB 4.05Å; V1362-C1374 HydrophobicContact CG2-CB 4.48Å; Y1365-C1374 WeakPolarHBondContact CB-SG 3.45Å; I1366-C1374 HydrophobicContact CG1-CB 4.43Å; K1370-C1374 PolarHBondContact O-N 3.33Å; K1370-C1374 PolarHBondContact O-SG 2.99Å; L1371-C1374 VanDerWaalsContact O-CB 3.27Å; L1371-C1374 WeakPolarHBondContact O-CB 3.29Å; L1371-C1374 PolarHBondContact O-N 2.94Å; L1371-C1374 VanDerWaalsContact O-N 3.11Å; E1372-C1374 PolarHBondContact O-N 3.46Å; C1374-E1376 VanDerWaalsContact C-N 3.31Å; C1374-E1376 PolarHBondContact O-N 2.97Å; C1374-L1377 PolarHBondContact O-N 3.46Å; C1374-L1378 WeakPolarHBondContact O-CB 3.46Å; C1374-L1378 WeakPolarHBondContact O-CG 3.38Å; C1374-L1378 PolarHBondContact O-N 2.83Å; C1374-I1398 HydrophobicContact CB-CD1 3.5Å; C1374-I1398 VanDerWaalsContact CB-CD1 3.5Å; C1374-I1398 HydrophobicContact CB-CG1 4.46Å |
| 1375 | Q | 89.6 | Confident | 87.3 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 178.5 | -64.4 | -168.7 | 1.2 | 0 | 0 | 111.6 | L1371 E1372 L1378 K1379 F1395 I1398 E1402 | L1371-Q1375 PolarHBondContact O-N 3.43Å; E1372-Q1375 WeakPolarHBondContact O-CB 3.32Å; E1372-Q1375 PolarHBondContact O-N 3.32Å; E1372-Q1375 VanDerWaalsContact O-N 3.12Å; Q1375-L1378 PolarHBondContact O-N 3.13Å; Q1375-K1379 WeakPolarHBondContact O-CB 3.19Å; Q1375-K1379 VanDerWaalsContact O-CG 3.28Å; Q1375-K1379 WeakPolarHBondContact O-CG 3.5Å; Q1375-K1379 PolarHBondContact O-N 3.27Å; Q1375-F1395 HydrophobicContact CB-CE1 4.41Å; Q1375-I1398 HydrophobicContact CG-CD1 4.41Å; Q1375-I1398 HydrophobicContact CG-CG2 3.89Å; Q1375-E1402 VanDerWaalsContact NE2-CD 3.33Å; Q1375-E1402 PolarHBondContact NE2-OE1 3.44Å; Q1375-E1402 PolarHBondContact NE2-OE2 3.25Å; Q1375-E1402 VanDerWaalsContact NE2-OE2 3.13Å |
| 1376 | E | 89.6 | Confident | 87.1 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 65% | 0.65 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 176.6 | -68.1 | -173 | 161.9 | 0 | 0 | 112.5 | E1372 V1373 C1374 L1378 K1379 K1380 | E1372-E1376 PolarHBondContact O-N 3.17Å; V1373-E1376 PolarHBondContact O-N 2.79Å; C1374-E1376 VanDerWaalsContact C-N 3.31Å; C1374-E1376 PolarHBondContact O-N 2.97Å; E1376-L1378 VanDerWaalsContact C-N 3.34Å; E1376-L1378 PolarHBondContact O-N 3.07Å; E1376-K1379 PolarHBondContact O-N 2.95Å; E1376-K1380 WeakPolarHBondContact O-CB 3.4Å; E1376-K1380 PolarHBondContact O-N 3.23Å |
| 1377 | L | 89.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.8 | -74.1 | 172.3 | 0 | 0 | 0 | 112.2 | A1342 L1361 V1362 Y1365 V1373 C1374 K1380 C1381 | A1342-L1377 HydrophobicContact CB-CD2 4.42Å; L1361-L1377 HydrophobicContact CB-CD1 4.4Å; L1361-L1377 HydrophobicContact CD2-CD1 3.75Å; L1361-L1377 HydrophobicContact CG-CD1 3.96Å; V1362-L1377 HydrophobicContact CG2-CB 3.65Å; V1362-L1377 HydrophobicContact CG2-CD1 4.12Å; Y1365-L1377 HydrophobicContact CD2-CD1 3.93Å; Y1365-L1377 HydrophobicContact CE2-CD1 3.88Å; V1373-L1377 HydrophobicContact CG1-CD1 4.31Å; V1373-L1377 WeakPolarHBondContact O-CG 3.4Å; V1373-L1377 PolarHBondContact O-N 3.15Å; V1373-L1377 VanDerWaalsContact O-N 3.12Å; C1374-L1377 PolarHBondContact O-N 3.46Å; L1377-K1380 WeakPolarHBondContact O-CB 3.16Å; L1377-K1380 PolarHBondContact O-N 3.11Å; L1377-C1381 PolarHBondContact O-N 3.43Å |
| 1378 | L | 91.1 | Very high | 87 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 176.8 | -68.7 | 170.5 | 0 | 0 | 0 | 111.9 | L1359 V1362 C1374 Q1375 E1376 K1380 C1381 L1382 A1391 Y1394 F1395 I1398 | L1359-L1378 HydrophobicContact CD2-CD2 3.95Å; V1362-L1378 HydrophobicContact CB-CD2 4.46Å; V1362-L1378 HydrophobicContact CG1-CD1 4.15Å; V1362-L1378 HydrophobicContact CG1-CD2 4.03Å; V1362-L1378 HydrophobicContact CG1-CG 4.05Å; V1362-L1378 HydrophobicContact CG2-CD2 4.06Å; V1362-L1378 HydrophobicContact CG2-CG 3.93Å; C1374-L1378 WeakPolarHBondContact O-CB 3.46Å; C1374-L1378 WeakPolarHBondContact O-CG 3.38Å; C1374-L1378 PolarHBondContact O-N 2.83Å; Q1375-L1378 PolarHBondContact O-N 3.13Å; E1376-L1378 VanDerWaalsContact C-N 3.34Å; E1376-L1378 PolarHBondContact O-N 3.07Å; L1378-K1380 VanDerWaalsContact C-N 3.28Å; L1378-K1380 PolarHBondContact O-N 3.08Å; L1378-C1381 WeakPolarHBondContact O-CB 3.27Å; L1378-C1381 PolarHBondContact O-N 2.83Å; L1378-L1382 PolarHBondContact O-N 2.89Å; L1378-A1391 HydrophobicContact CD2-CB 4.07Å; L1378-Y1394 HydrophobicContact CD2-CD2 4.19Å; L1378-Y1394 HydrophobicContact CD2-CG 4.48Å; L1378-F1395 HydrophobicContact CB-CD2 3.85Å; L1378-F1395 HydrophobicContact CB-CE1 4.05Å; L1378-F1395 HydrophobicContact CB-CE2 3.24Å; L1378-F1395 HydrophobicContact CB-CG 4.47Å; L1378-F1395 HydrophobicContact CB-CZ 3.35Å; L1378-F1395 HydrophobicContact CD1-CD1 4.16Å; L1378-F1395 HydrophobicContact CD1-CD2 4.09Å; L1378-F1395 HydrophobicContact CD1-CE1 4.31Å; L1378-F1395 HydrophobicContact CD1-CE2 4.25Å; L1378-F1395 HydrophobicContact CD1-CG 4.04Å; L1378-F1395 HydrophobicContact CD1-CZ 4.35Å; L1378-F1395 HydrophobicContact CG-CD2 4.49Å; L1378-F1395 HydrophobicContact CG-CE2 4.31Å; L1378-I1398 HydrophobicContact CD1-CD1 3.39Å |
| 1379 | K | 90.8 | Very high | 86.9 | Confident | 129 Ų | 129 | 57.8 Ų | 57.8 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 170.8 | -75.1 | 178.4 | -173 | 171 | 0 | 110.5 | Q1375 E1376 L1382 K1383 F1395 | Q1375-K1379 WeakPolarHBondContact O-CB 3.19Å; Q1375-K1379 VanDerWaalsContact O-CG 3.28Å; Q1375-K1379 WeakPolarHBondContact O-CG 3.5Å; Q1375-K1379 PolarHBondContact O-N 3.27Å; E1376-K1379 PolarHBondContact O-N 2.95Å; K1379-L1382 PolarHBondContact O-N 3.44Å; K1379-K1383 PolarHBondContact O-N 2.88Å; K1379-F1395 HydrophobicContact CG-CZ 3.84Å |
| 1380 | K | 88.7 | Confident | 87 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.5 | -171.5 | -179.7 | 178.5 | -177.6 | 0 | 111.8 | A1342 W1358 E1376 L1377 L1378 Y1384 | A1342-K1380 PolarHBondContact O-NZ 3.37Å; W1358-K1380 HydrophobicContact CE3-CG 4.38Å; W1358-K1380 HydrophobicContact CH2-CD 4.25Å; W1358-K1380 HydrophobicContact CH2-CG 4.11Å; W1358-K1380 HydrophobicContact CZ2-CD 4.18Å; W1358-K1380 VanDerWaalsContact CZ2-CE 3.48Å; W1358-K1380 HydrophobicContact CZ3-CD 4.49Å; W1358-K1380 HydrophobicContact CZ3-CG 4.03Å; E1376-K1380 WeakPolarHBondContact O-CB 3.4Å; E1376-K1380 PolarHBondContact O-N 3.23Å; L1377-K1380 WeakPolarHBondContact O-CB 3.16Å; L1377-K1380 PolarHBondContact O-N 3.11Å; L1378-K1380 VanDerWaalsContact C-N 3.28Å; L1378-K1380 PolarHBondContact O-N 3.08Å; K1380-Y1384 WeakPolarHBondContact O-CD2 3.4Å |
| 1381 | C | 88.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | 175.4 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | W1358 L1377 L1378 K1383 Y1384 N1385 | W1358-C1381 HydrophobicContact CE3-CB 4.15Å; L1377-C1381 PolarHBondContact O-N 3.43Å; L1378-C1381 WeakPolarHBondContact O-CB 3.27Å; L1378-C1381 PolarHBondContact O-N 2.83Å; C1381-K1383 VanDerWaalsContact C-N 3.26Å; C1381-K1383 PolarHBondContact O-N 3.48Å; C1381-Y1384 PolarHBondContact O-N 2.93Å; C1381-N1385 PolarHBondContact O-N 3.26Å |
| 1382 | L | 88.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68 | -22.6 | -179.3 | -72 | -174.8 | 0 | 0 | 0 | 113.6 | L1378 K1379 Y1384 K1386 A1391 Y1392 F1395 | L1378-L1382 PolarHBondContact O-N 2.89Å; K1379-L1382 PolarHBondContact O-N 3.44Å; L1382-Y1384 VanDerWaalsContact C-N 3.26Å; L1382-Y1384 PolarHBondContact O-N 3.47Å; L1382-K1386 WeakPolarHBondContact O-CG 3.05Å; L1382-A1391 HydrophobicContact CD2-CB 3.78Å; L1382-A1391 HydrophobicContact CG-CB 4.17Å; L1382-Y1392 HydrophobicContact CD1-CD1 4.02Å; L1382-Y1392 HydrophobicContact CD1-CE1 3.56Å; L1382-Y1392 HydrophobicContact CD2-CD1 4.37Å; L1382-Y1392 HydrophobicContact CD2-CD2 4.23Å; L1382-Y1392 HydrophobicContact CD2-CE1 3.98Å; L1382-Y1392 HydrophobicContact CD2-CE2 3.79Å; L1382-Y1392 HydrophobicContact CD2-CG 4.5Å; L1382-Y1392 HydrophobicContact CG-CE1 4.46Å; L1382-F1395 HydrophobicContact CD1-CD2 3.72Å; L1382-F1395 HydrophobicContact CD1-CE2 3.32Å; L1382-F1395 HydrophobicContact CD1-CZ 4.38Å; L1382-F1395 HydrophobicContact CG-CE2 4.02Å |
| 1383 | K | 87.4 | Confident | 87.4 | Confident | 146 Ų | 146 | 45.4 Ų | 45.4 | 64% | 0.635 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.1 | -38.2 | 173.1 | -175.7 | -178.7 | 176.3 | -174.9 | 0 | 112.1 | K1379 C1381 | K1379-K1383 PolarHBondContact O-N 2.88Å; C1381-K1383 VanDerWaalsContact C-N 3.26Å; C1381-K1383 PolarHBondContact O-N 3.48Å |
| 1384 | Y | 84.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 18% | 0.18 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -102.8 | -22.6 | -176.5 | -63.7 | -75.8 | 0 | 0 | 0 | 113.6 | R1148 W1346 W1358 K1380 C1381 L1382 | R1148-Y1384 WeakPolarHBondContact CB-O 3.33Å; R1148-Y1384 WeakPolarHBondContact CG-O 3.34Å; W1346-Y1384 HydrophobicContact CB-CD2 4.26Å; W1346-Y1384 HydrophobicContact CB-CE1 4Å; W1346-Y1384 HydrophobicContact CB-CE2 3.74Å; W1346-Y1384 AromaticContact CD1-CD1 3.98Å; W1346-Y1384 AromaticContact CD1-CD2 3.71Å; W1346-Y1384 AromaticContact CD1-CG 3.65Å; W1346-Y1384 AromaticContact CD2-CD1 3.46Å; W1346-Y1384 HydrophobicContact CD2-CD1 3.46Å; W1346-Y1384 VanDerWaalsContact CD2-CD1 3.46Å; W1346-Y1384 HydrophobicContact CD2-CD2 4.47Å; W1346-Y1384 AromaticContact CD2-CE1 3.52Å; W1346-Y1384 HydrophobicContact CD2-CE1 3.52Å; W1346-Y1384 AromaticContact CD2-CG 3.97Å; W1346-Y1384 HydrophobicContact CD2-CG 3.97Å; W1346-Y1384 AromaticContact CE2-CD1 3.57Å; W1346-Y1384 AromaticContact CE2-CG 3.85Å; W1346-Y1384 AromaticContact CE3-CD1 3.9Å; W1346-Y1384 HydrophobicContact CE3-CD1 3.9Å; W1346-Y1384 AromaticContact CE3-CE1 3.66Å; W1346-Y1384 HydrophobicContact CE3-CE1 3.66Å; W1346-Y1384 AromaticContact CG-CD1 3.75Å; W1346-Y1384 HydrophobicContact CG-CD1 3.75Å; W1346-Y1384 AromaticContact CG-CD2 3.88Å; W1346-Y1384 HydrophobicContact CG-CD2 3.88Å; W1346-Y1384 AromaticContact CG-CE1 3.69Å; W1346-Y1384 HydrophobicContact CG-CE1 3.69Å; W1346-Y1384 AromaticContact CG-CE2 3.84Å; W1346-Y1384 HydrophobicContact CG-CE2 3.84Å; W1346-Y1384 AromaticContact CG-CG 3.84Å; W1346-Y1384 HydrophobicContact CG-CG 3.84Å; W1346-Y1384 AromaticContact CG-CZ 3.73Å; W1346-Y1384 HydrophobicContact CH2-CD1 4.45Å; W1346-Y1384 HydrophobicContact CZ2-CD1 4.08Å; W1346-Y1384 HydrophobicContact CZ3-CD1 4.37Å; W1346-Y1384 HydrophobicContact CZ3-CE1 4.35Å; W1346-Y1384 AromaticContact NE1-CD1 3.85Å; W1346-Y1384 AromaticContact NE1-CG 3.63Å; W1358-Y1384 HydrophobicContact CH2-CD2 4.32Å; W1358-Y1384 HydrophobicContact CZ3-CD2 4.27Å; K1380-Y1384 WeakPolarHBondContact O-CD2 3.4Å; C1381-Y1384 PolarHBondContact O-N 2.93Å; L1382-Y1384 VanDerWaalsContact C-N 3.26Å; L1382-Y1384 PolarHBondContact O-N 3.47Å |
| 1385 | N | 86.5 | Confident | 87.5 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | trans | -138.8 | 87.8 | -179.4 | -179.8 | 2.4 | 0 | 0 | 0 | 110.5 | R1147 E1355 C1381 S1387 S1388 | R1147-N1385 VanDerWaalsContact NH1-CG 3.3Å; R1147-N1385 PolarHBondContact NH1-ND2 3.17Å; R1147-N1385 PolarHBondContact NH1-OD1 3.32Å; E1355-N1385 WeakPolarHBondContact OE2-CB 3.47Å; E1355-N1385 PolarHBondContact OE2-ND2 3.24Å; C1381-N1385 PolarHBondContact O-N 3.26Å; N1385-S1387 PolarHBondContact O-N 2.86Å; N1385-S1387 PolarHBondContact OD1-N 3.02Å; N1385-S1388 PolarHBondContact O-N 3.4Å; N1385-S1388 PolarHBondContact OD1-N 3.5Å | ||
| 1386 | K | 85.8 | Confident | 87.5 | Confident | 89 Ų | 89 | 41.5 Ų | 41.5 | 39% | 0.387 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.4 | 178.4 | -64.8 | 177.7 | -178.9 | 174.1 | 0 | 113.6 | R1148 C1149 L1382 Y1392 | R1148-K1386 WeakPolarHBondContact O-CB 3.47Å; R1148-K1386 PolarHBondContact O-N 2.94Å; C1149-K1386 WeakPolarHBondContact O-CD 3.16Å; L1382-K1386 WeakPolarHBondContact O-CG 3.05Å; K1386-Y1392 VanDerWaalsContact O-CE2 3.23Å; K1386-Y1392 WeakPolarHBondContact O-CE2 3.28Å; K1386-Y1392 PolarHBondContact O-OH 3.3Å |
| 1387 | S | 82.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.7 | 176.8 | -73.1 | 0 | 0 | 0 | 0 | 114.2 | R1147 G1150 N1385 S1389 | R1147-S1387 WeakPolarHBondContact O-CB 3.43Å; R1147-S1387 PolarHBondContact O-N 2.99Å; R1147-S1387 PolarHBondContact O-OG 3.16Å; G1150-S1387 WeakPolarHBondContact CA-OG 3.29Å; N1385-S1387 PolarHBondContact O-N 2.86Å; N1385-S1387 PolarHBondContact OD1-N 3.02Å; S1387-S1389 PolarHBondContact O-N 2.97Å |
| 1388 | S | 84.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | trans | -65.7 | 100.5 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | N1385 K1390 A1391 Y1392 | N1385-S1388 PolarHBondContact O-N 3.4Å; N1385-S1388 PolarHBondContact OD1-N 3.5Å; S1388-K1390 VanDerWaalsContact C-N 3.3Å; S1388-K1390 PolarHBondContact O-N 3.49Å; S1388-A1391 PolarHBondContact O-N 3.08Å; S1388-A1391 WeakPolarHBondContact OG-CB 3.4Å; S1388-A1391 PolarHBondContact OG-N 3.2Å; S1388-Y1392 WeakPolarHBondContact O-CD2 3.25Å; S1388-Y1392 PolarHBondContact O-N 3.49Å | ||
| 1389 | S | 80.9 | Confident | 87.3 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 177.3 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | S1387 Y1392 E1393 V1415 | S1387-S1389 PolarHBondContact O-N 2.97Å; S1389-Y1392 PolarHBondContact O-N 3.15Å; S1389-E1393 PolarHBondContact O-N 2.98Å; S1389-V1415 VanDerWaalsContact O-CG2 3.3Å; S1389-V1415 WeakPolarHBondContact O-CG2 3.34Å |
| 1390 | K | 84.2 | Confident | 87.2 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 179.6 | -163.2 | 72.9 | -170 | 170.8 | 0 | 113 | L1359 S1388 E1393 Y1394 | L1359-K1390 HydrophobicContact CD1-CB 4.13Å; L1359-K1390 HydrophobicContact CD1-CG 4.42Å; S1388-K1390 VanDerWaalsContact C-N 3.3Å; S1388-K1390 PolarHBondContact O-N 3.49Å; K1390-E1393 WeakPolarHBondContact CD-OE2 3.41Å; K1390-E1393 WeakPolarHBondContact CE-OE2 3.25Å; K1390-E1393 IonicContact NZ-OE1 2.69Å; K1390-E1393 IonicContact NZ-OE2 2.96Å; K1390-E1393 PolarHBondContact NZ-OE2 2.88Å; K1390-E1393 PolarHBondContact O-N 3.29Å; K1390-Y1394 HydrophobicContact CD-CE2 4.24Å; K1390-Y1394 VanDerWaalsContact CE-CZ 3.43Å; K1390-Y1394 VanDerWaalsContact CE-OH 3.3Å; K1390-Y1394 WeakPolarHBondContact CE-OH 3.47Å; K1390-Y1394 HydrophobicContact CG-CD2 4.01Å; K1390-Y1394 HydrophobicContact CG-CE2 3.56Å; K1390-Y1394 VanDerWaalsContact O-CD2 3.26Å; K1390-Y1394 WeakPolarHBondContact O-CD2 3.49Å; K1390-Y1394 PolarHBondContact O-N 3.31Å |
| 1391 | A | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1359 L1378 L1382 S1388 Y1394 F1395 | L1359-A1391 HydrophobicContact CD2-CB 4Å; L1378-A1391 HydrophobicContact CD2-CB 4.07Å; L1382-A1391 HydrophobicContact CD2-CB 3.78Å; L1382-A1391 HydrophobicContact CG-CB 4.17Å; S1388-A1391 PolarHBondContact O-N 3.08Å; S1388-A1391 WeakPolarHBondContact OG-CB 3.4Å; S1388-A1391 PolarHBondContact OG-N 3.2Å; A1391-Y1394 PolarHBondContact O-N 3.01Å; A1391-F1395 WeakPolarHBondContact O-CD2 3.48Å; A1391-F1395 PolarHBondContact O-N 3.2Å |
| 1392 | Y | 89 | Confident | 86.9 | Confident | 33 Ų | 33 | 39 Ų | 39 | 13% | 0.129 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -35.3 | 174.2 | -70 | -61.5 | 0 | 0 | 0 | 112.5 | L1382 K1386 S1388 S1389 F1395 G1396 Y1411 | L1382-Y1392 HydrophobicContact CD1-CD1 4.02Å; L1382-Y1392 HydrophobicContact CD1-CE1 3.56Å; L1382-Y1392 HydrophobicContact CD2-CD1 4.37Å; L1382-Y1392 HydrophobicContact CD2-CD2 4.23Å; L1382-Y1392 HydrophobicContact CD2-CE1 3.98Å; L1382-Y1392 HydrophobicContact CD2-CE2 3.79Å; L1382-Y1392 HydrophobicContact CD2-CG 4.5Å; L1382-Y1392 HydrophobicContact CG-CE1 4.46Å; K1386-Y1392 VanDerWaalsContact O-CE2 3.23Å; K1386-Y1392 WeakPolarHBondContact O-CE2 3.28Å; K1386-Y1392 PolarHBondContact O-OH 3.3Å; S1388-Y1392 WeakPolarHBondContact O-CD2 3.25Å; S1388-Y1392 PolarHBondContact O-N 3.49Å; S1389-Y1392 PolarHBondContact O-N 3.15Å; Y1392-F1395 PolarHBondContact O-N 3.29Å; Y1392-G1396 PolarHBondContact O-N 3.37Å; Y1392-Y1411 AromaticContact CD1-CD1 3.66Å; Y1392-Y1411 HydrophobicContact CD1-CD1 3.66Å; Y1392-Y1411 HydrophobicContact CD1-CE1 4.19Å; Y1392-Y1411 HydrophobicContact CE1-CD1 4.22Å; Y1392-Y1411 HydrophobicContact CE1-CE1 4.4Å |
| 1393 | E | 88.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 45 Ų | 45 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 173 | -164.9 | -161.9 | 163.2 | 0 | 0 | 111.2 | S1389 K1390 G1396 L1397 Y1412 V1415 K1429 | S1389-E1393 PolarHBondContact O-N 2.98Å; K1390-E1393 WeakPolarHBondContact CD-OE2 3.41Å; K1390-E1393 WeakPolarHBondContact CE-OE2 3.25Å; K1390-E1393 IonicContact NZ-OE1 2.69Å; K1390-E1393 IonicContact NZ-OE2 2.96Å; K1390-E1393 PolarHBondContact NZ-OE2 2.88Å; K1390-E1393 PolarHBondContact O-N 3.29Å; E1393-G1396 PolarHBondContact O-N 3.34Å; E1393-L1397 WeakPolarHBondContact O-CB 3.42Å; E1393-L1397 PolarHBondContact O-N 3.1Å; E1393-Y1412 HydrophobicContact CG-CE1 4.12Å; E1393-V1415 HydrophobicContact CB-CG2 4.43Å; E1393-K1429 IonicContact OE1-NZ 2.7Å; E1393-K1429 PolarHBondContact OE1-NZ 3.17Å |
| 1394 | Y | 89.3 | Confident | 87 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | 176.3 | -72.6 | -48.8 | 0 | 0 | 0 | 112.8 | L1359 V1362 D1363 I1366 L1378 K1390 A1391 L1397 I1398 | L1359-Y1394 HydrophobicContact CB-CE2 4.28Å; L1359-Y1394 HydrophobicContact CD2-CD2 3.86Å; L1359-Y1394 HydrophobicContact CD2-CE2 4.11Å; V1362-Y1394 HydrophobicContact CG1-CD1 4.38Å; V1362-Y1394 HydrophobicContact CG1-CD2 3.95Å; V1362-Y1394 HydrophobicContact CG1-CE2 4.5Å; V1362-Y1394 HydrophobicContact CG1-CG 3.9Å; D1363-Y1394 HydrophobicContact CB-CE1 4.39Å; D1363-Y1394 WeakPolarHBondContact CB-OH 3.13Å; D1363-Y1394 WeakPolarHBondContact OD1-CE1 3.43Å; D1363-Y1394 PolarHBondContact OD1-OH 3.33Å; I1366-Y1394 HydrophobicContact CD1-CD1 3.4Å; I1366-Y1394 VanDerWaalsContact CD1-CD1 3.4Å; I1366-Y1394 HydrophobicContact CD1-CE1 4.03Å; I1366-Y1394 HydrophobicContact CD1-CG 3.98Å; L1378-Y1394 HydrophobicContact CD2-CD2 4.19Å; L1378-Y1394 HydrophobicContact CD2-CG 4.48Å; K1390-Y1394 HydrophobicContact CD-CE2 4.24Å; K1390-Y1394 VanDerWaalsContact CE-CZ 3.43Å; K1390-Y1394 VanDerWaalsContact CE-OH 3.3Å; K1390-Y1394 WeakPolarHBondContact CE-OH 3.47Å; K1390-Y1394 HydrophobicContact CG-CD2 4.01Å; K1390-Y1394 HydrophobicContact CG-CE2 3.56Å; K1390-Y1394 VanDerWaalsContact O-CD2 3.26Å; K1390-Y1394 WeakPolarHBondContact O-CD2 3.49Å; K1390-Y1394 PolarHBondContact O-N 3.31Å; A1391-Y1394 PolarHBondContact O-N 3.01Å; Y1394-L1397 PolarHBondContact O-N 2.98Å; Y1394-I1398 WeakPolarHBondContact O-CB 3.15Å; Y1394-I1398 WeakPolarHBondContact O-CD1 3.5Å; Y1394-I1398 WeakPolarHBondContact O-CG1 3.33Å; Y1394-I1398 PolarHBondContact O-N 2.77Å |
| 1395 | F | 90.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 170.2 | -91.5 | -62.5 | 0 | 0 | 0 | 111.8 | Q1375 L1378 K1379 L1382 A1391 Y1392 L1397 I1398 M1399 Y1411 | Q1375-F1395 HydrophobicContact CB-CE1 4.41Å; L1378-F1395 HydrophobicContact CB-CD2 3.85Å; L1378-F1395 HydrophobicContact CB-CE1 4.05Å; L1378-F1395 HydrophobicContact CB-CE2 3.24Å; L1378-F1395 HydrophobicContact CB-CG 4.47Å; L1378-F1395 HydrophobicContact CB-CZ 3.35Å; L1378-F1395 HydrophobicContact CD1-CD1 4.16Å; L1378-F1395 HydrophobicContact CD1-CD2 4.09Å; L1378-F1395 HydrophobicContact CD1-CE1 4.31Å; L1378-F1395 HydrophobicContact CD1-CE2 4.25Å; L1378-F1395 HydrophobicContact CD1-CG 4.04Å; L1378-F1395 HydrophobicContact CD1-CZ 4.35Å; L1378-F1395 HydrophobicContact CG-CD2 4.49Å; L1378-F1395 HydrophobicContact CG-CE2 4.31Å; K1379-F1395 HydrophobicContact CG-CZ 3.84Å; L1382-F1395 HydrophobicContact CD1-CD2 3.72Å; L1382-F1395 HydrophobicContact CD1-CE2 3.32Å; L1382-F1395 HydrophobicContact CD1-CZ 4.38Å; L1382-F1395 HydrophobicContact CG-CE2 4.02Å; A1391-F1395 WeakPolarHBondContact O-CD2 3.48Å; A1391-F1395 PolarHBondContact O-N 3.2Å; Y1392-F1395 PolarHBondContact O-N 3.29Å; F1395-L1397 VanDerWaalsContact C-N 3.27Å; F1395-L1397 PolarHBondContact O-N 3.25Å; F1395-I1398 PolarHBondContact O-N 2.99Å; F1395-M1399 WeakPolarHBondContact O-CB 3.33Å; F1395-M1399 VanDerWaalsContact O-CG 3.3Å; F1395-M1399 WeakPolarHBondContact O-CG 3.49Å; F1395-M1399 PolarHBondContact O-N 3.31Å; F1395-Y1411 HydrophobicContact CB-CD1 4.08Å; F1395-Y1411 HydrophobicContact CB-CD2 3.76Å; F1395-Y1411 HydrophobicContact CB-CE1 4.23Å; F1395-Y1411 HydrophobicContact CB-CE2 3.95Å; F1395-Y1411 HydrophobicContact CB-CG 3.82Å; F1395-Y1411 HydrophobicContact CD1-CE2 4.38Å; F1395-Y1411 HydrophobicContact CG-CE1 4.37Å; F1395-Y1411 HydrophobicContact CG-CE2 4.37Å |
| 1396 | G | 88.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1392 E1393 M1399 E1400 Y1412 | Y1392-G1396 PolarHBondContact O-N 3.37Å; E1393-G1396 PolarHBondContact O-N 3.34Å; G1396-M1399 PolarHBondContact O-N 3.22Å; G1396-E1400 VanDerWaalsContact O-CB 3.25Å; G1396-E1400 WeakPolarHBondContact O-CB 3.26Å; G1396-E1400 PolarHBondContact O-N 3.44Å; G1396-Y1412 VanDerWaalsContact C-CZ 3.48Å |
| 1397 | L | 88.4 | Confident | 87.5 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.3 | -35.5 | 179 | -172.4 | 135.7 | 0 | 0 | 0 | 113.4 | I1366 E1393 Y1394 F1395 K1401 Y1412 | I1366-L1397 HydrophobicContact CD1-CD2 4.08Å; I1366-L1397 HydrophobicContact CG2-CD2 3.49Å; I1366-L1397 VanDerWaalsContact CG2-CD2 3.49Å; E1393-L1397 WeakPolarHBondContact O-CB 3.42Å; E1393-L1397 PolarHBondContact O-N 3.1Å; Y1394-L1397 PolarHBondContact O-N 2.98Å; F1395-L1397 VanDerWaalsContact C-N 3.27Å; F1395-L1397 PolarHBondContact O-N 3.25Å; L1397-K1401 HydrophobicContact CD2-CD 4.36Å; L1397-K1401 WeakPolarHBondContact O-CG 3.5Å; L1397-K1401 PolarHBondContact O-N 3.37Å; L1397-Y1412 WeakPolarHBondContact CA-OH 3.47Å; L1397-Y1412 PolarHBondContact N-OH 3.15Å |
| 1398 | I | 88.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 173.5 | -69.9 | 162.9 | 0 | 0 | 0 | 110 | I1366 L1371 C1374 Q1375 L1378 Y1394 F1395 E1400 K1401 E1402 | I1366-I1398 HydrophobicContact CD1-CD1 4.42Å; I1366-I1398 HydrophobicContact CD1-CG1 4.26Å; I1366-I1398 HydrophobicContact CG1-CG1 4.36Å; L1371-I1398 HydrophobicContact CB-CG2 4.36Å; L1371-I1398 HydrophobicContact CD2-CG1 4.37Å; C1374-I1398 HydrophobicContact CB-CD1 3.5Å; C1374-I1398 VanDerWaalsContact CB-CD1 3.5Å; C1374-I1398 HydrophobicContact CB-CG1 4.46Å; Q1375-I1398 HydrophobicContact CG-CD1 4.41Å; Q1375-I1398 HydrophobicContact CG-CG2 3.89Å; L1378-I1398 HydrophobicContact CD1-CD1 3.39Å; Y1394-I1398 WeakPolarHBondContact O-CB 3.15Å; Y1394-I1398 WeakPolarHBondContact O-CD1 3.5Å; Y1394-I1398 WeakPolarHBondContact O-CG1 3.33Å; Y1394-I1398 PolarHBondContact O-N 2.77Å; F1395-I1398 PolarHBondContact O-N 2.99Å; I1398-E1400 VanDerWaalsContact C-N 3.3Å; I1398-E1400 PolarHBondContact O-N 3.11Å; I1398-K1401 CarbonylContact O-C 3.58Å; I1398-K1401 WeakPolarHBondContact O-CA 3.42Å; I1398-K1401 WeakPolarHBondContact O-CB 3.48Å; I1398-K1401 PolarHBondContact O-N 3.12Å; I1398-K1401 VanDerWaalsContact O-N 3.1Å; I1398-E1402 HydrophobicContact CG2-CG 4.48Å; I1398-E1402 VanDerWaalsContact CG2-OE1 3.24Å; I1398-E1402 WeakPolarHBondContact CG2-OE1 3.4Å; I1398-E1402 WeakPolarHBondContact O-CG 3.45Å; I1398-E1402 PolarHBondContact O-N 3.38Å |
| 1399 | M | 89.1 | Confident | 88.2 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | 177.2 | -68 | -57.8 | 169.9 | 0 | 0 | 112.2 | F1395 G1396 E1402 Q1403 N1404 E1407 A1408 Y1411 | F1395-M1399 WeakPolarHBondContact O-CB 3.33Å; F1395-M1399 VanDerWaalsContact O-CG 3.3Å; F1395-M1399 WeakPolarHBondContact O-CG 3.49Å; F1395-M1399 PolarHBondContact O-N 3.31Å; G1396-M1399 PolarHBondContact O-N 3.22Å; M1399-E1402 CarbonylContact O-C 3.55Å; M1399-E1402 PolarHBondContact O-N 3.45Å; M1399-Q1403 PolarHBondContact O-N 3.4Å; M1399-Q1403 VanDerWaalsContact O-N 3.08Å; M1399-N1404 HydrophobicContact CB-CB 4.47Å; M1399-N1404 PolarHBondContact O-N 2.88Å; M1399-N1404 HydrophobicContact SD-CB 4.25Å; M1399-E1407 WeakPolarHBondContact CE-OE2 3.35Å; M1399-E1407 HydrophobicContact CG-CB 4.15Å; M1399-E1407 HydrophobicContact SD-CB 4.34Å; M1399-A1408 HydrophobicContact CB-CB 3.74Å; M1399-Y1411 HydrophobicContact CE-CE2 4.2Å; M1399-Y1411 HydrophobicContact CG-CD2 4.02Å; M1399-Y1411 HydrophobicContact CG-CE2 3.84Å |
| 1400 | E | 88.3 | Confident | 88.6 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 172.3 | -172.3 | 178.4 | 166.4 | 0 | 0 | 111.6 | G1396 I1398 E1402 Q1403 A1408 Y1412 | G1396-E1400 VanDerWaalsContact O-CB 3.25Å; G1396-E1400 WeakPolarHBondContact O-CB 3.26Å; G1396-E1400 PolarHBondContact O-N 3.44Å; I1398-E1400 VanDerWaalsContact C-N 3.3Å; I1398-E1400 PolarHBondContact O-N 3.11Å; E1400-E1402 VanDerWaalsContact C-N 3.34Å; E1400-Q1403 PolarHBondContact O-N 3.13Å; E1400-A1408 HydrophobicContact CB-CB 4.49Å; E1400-Y1412 PolarHBondContact OE2-OH 2.89Å |
| 1401 | K | 85.7 | Confident | 89 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 48% | 0.478 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.6 | -31.6 | 172.9 | -76.3 | -172.8 | 176.7 | -170.2 | 0 | 113.1 | I1366 L1371 L1397 I1398 Q1403 | I1366-K1401 PolarHBondContact O-NZ 3.05Å; I1366-K1401 VanDerWaalsContact O-NZ 3.16Å; L1371-K1401 HydrophobicContact CD1-CB 4.13Å; L1371-K1401 HydrophobicContact CD2-CD 3.98Å; L1397-K1401 HydrophobicContact CD2-CD 4.36Å; L1397-K1401 WeakPolarHBondContact O-CG 3.5Å; L1397-K1401 PolarHBondContact O-N 3.37Å; I1398-K1401 CarbonylContact O-C 3.58Å; I1398-K1401 WeakPolarHBondContact O-CA 3.42Å; I1398-K1401 WeakPolarHBondContact O-CB 3.48Å; I1398-K1401 PolarHBondContact O-N 3.12Å; I1398-K1401 VanDerWaalsContact O-N 3.1Å; K1401-Q1403 VanDerWaalsContact C-N 3.25Å; K1401-Q1403 PolarHBondContact O-N 3.3Å |
| 1402 | E | 86.7 | Confident | 89.1 | Confident | 81 Ų | 81 | 44.9 Ų | 44.9 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.1 | 175 | -70.6 | 172.3 | -166.4 | 0 | 0 | 113.2 | L1371 Q1375 I1398 M1399 E1400 N1404 | L1371-E1402 HydrophobicContact CD1-CG 4.27Å; Q1375-E1402 VanDerWaalsContact NE2-CD 3.33Å; Q1375-E1402 PolarHBondContact NE2-OE1 3.44Å; Q1375-E1402 PolarHBondContact NE2-OE2 3.25Å; Q1375-E1402 VanDerWaalsContact NE2-OE2 3.13Å; I1398-E1402 HydrophobicContact CG2-CG 4.48Å; I1398-E1402 VanDerWaalsContact CG2-OE1 3.24Å; I1398-E1402 WeakPolarHBondContact CG2-OE1 3.4Å; I1398-E1402 WeakPolarHBondContact O-CG 3.45Å; I1398-E1402 PolarHBondContact O-N 3.38Å; M1399-E1402 CarbonylContact O-C 3.55Å; M1399-E1402 PolarHBondContact O-N 3.45Å; E1400-E1402 VanDerWaalsContact C-N 3.34Å; E1402-N1404 PolarHBondContact O-N 3.05Å |
| 1403 | Q | 87 | Confident | 89.1 | Confident | 152 Ų | 152 | 47 Ų | 47 | 71% | 0.71 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 18.6 | -176.5 | -52.3 | -178.6 | 3.7 | 0 | 0 | 114.6 | M1399 E1400 K1401 F1405 | M1399-Q1403 PolarHBondContact O-N 3.4Å; M1399-Q1403 VanDerWaalsContact O-N 3.08Å; E1400-Q1403 PolarHBondContact O-N 3.13Å; K1401-Q1403 VanDerWaalsContact C-N 3.25Å; K1401-Q1403 PolarHBondContact O-N 3.3Å; Q1403-F1405 HydrophobicContact CB-CE2 4.14Å; Q1403-F1405 HydrophobicContact CB-CZ 4.25Å; Q1403-F1405 VanDerWaalsContact O-CD2 3.31Å; Q1403-F1405 WeakPolarHBondContact O-CD2 3.29Å; Q1403-F1405 WeakPolarHBondContact O-CE2 3.43Å; Q1403-F1405 PolarHBondContact O-N 2.86Å |
| 1404 | N | 90.1 | Very high | 88.9 | Confident | 52 Ų | 52 | 52 Ų | 52 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | trans | -90.6 | 72.9 | 174 | -167 | -3.1 | 0 | 0 | 0 | 111.1 | M1399 E1402 S1406 E1407 A1408 | M1399-N1404 HydrophobicContact CB-CB 4.47Å; M1399-N1404 PolarHBondContact O-N 2.88Å; M1399-N1404 HydrophobicContact SD-CB 4.25Å; E1402-N1404 PolarHBondContact O-N 3.05Å; N1404-S1406 VanDerWaalsContact C-N 3.27Å; N1404-S1406 PolarHBondContact O-N 2.76Å; N1404-S1406 PolarHBondContact OD1-OG 3.15Å; N1404-S1406 VanDerWaalsContact OD1-OG 3.12Å; N1404-E1407 VanDerWaalsContact ND2-CD 3.28Å; N1404-E1407 WeakPolarHBondContact ND2-CG 3.41Å; N1404-E1407 PolarHBondContact ND2-OE2 3.08Å; N1404-E1407 VanDerWaalsContact ND2-OE2 3.09Å; N1404-E1407 PolarHBondContact O-N 3.23Å; N1404-A1408 WeakPolarHBondContact O-CB 3.35Å; N1404-A1408 PolarHBondContact O-N 3.19Å | ||
| 1405 | F | 89.7 | Confident | 88.6 | Confident | 50 Ų | 50 | 51.8 Ų | 51.8 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -26.8 | -173.2 | -55.8 | -70.4 | 0 | 0 | 0 | 114.1 | Q1403 A1409 N1433 K1436 | Q1403-F1405 HydrophobicContact CB-CE2 4.14Å; Q1403-F1405 HydrophobicContact CB-CZ 4.25Å; Q1403-F1405 VanDerWaalsContact O-CD2 3.31Å; Q1403-F1405 WeakPolarHBondContact O-CD2 3.29Å; Q1403-F1405 WeakPolarHBondContact O-CE2 3.43Å; Q1403-F1405 PolarHBondContact O-N 2.86Å; F1405-A1409 WeakPolarHBondContact O-CB 3.39Å; F1405-A1409 PolarHBondContact O-N 3.32Å; F1405-N1433 WeakPolarHBondContact CD1-OD1 3.09Å; F1405-K1436 HydrophobicContact CB-CB 3.76Å; F1405-K1436 HydrophobicContact CD1-CB 3.62Å; F1405-K1436 HydrophobicContact CD1-CG 4Å; F1405-K1436 HydrophobicContact CD2-CB 3.72Å; F1405-K1436 HydrophobicContact CE1-CB 4.13Å; F1405-K1436 HydrophobicContact CE1-CG 4.08Å; F1405-K1436 HydrophobicContact CE2-CB 4.21Å; F1405-K1436 HydrophobicContact CG-CB 3.39Å; F1405-K1436 HydrophobicContact CG-CG 4.24Å; F1405-K1436 HydrophobicContact CZ-CB 4.4Å; F1405-K1436 HydrophobicContact CZ-CG 4.37Å |
| 1406 | S | 89.4 | Confident | 88.4 | Confident | 62 Ų | 62 | 51.8 Ų | 51.8 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.9 | -42.4 | 179.8 | 62 | 0 | 0 | 0 | 0 | 111.7 | N1404 K1410 | N1404-S1406 VanDerWaalsContact C-N 3.27Å; N1404-S1406 PolarHBondContact O-N 2.76Å; N1404-S1406 PolarHBondContact OD1-OG 3.15Å; N1404-S1406 VanDerWaalsContact OD1-OG 3.12Å; S1406-K1410 PolarHBondContact O-N 2.89Å |
| 1407 | E | 89.4 | Confident | 88.1 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 172.7 | -70.6 | -165.2 | 164.2 | 0 | 0 | 112 | M1399 N1404 A1409 K1410 Y1411 | M1399-E1407 WeakPolarHBondContact CE-OE2 3.35Å; M1399-E1407 HydrophobicContact CG-CB 4.15Å; M1399-E1407 HydrophobicContact SD-CB 4.34Å; N1404-E1407 VanDerWaalsContact ND2-CD 3.28Å; N1404-E1407 WeakPolarHBondContact ND2-CG 3.41Å; N1404-E1407 PolarHBondContact ND2-OE2 3.08Å; N1404-E1407 VanDerWaalsContact ND2-OE2 3.09Å; N1404-E1407 PolarHBondContact O-N 3.23Å; E1407-A1409 VanDerWaalsContact C-N 3.29Å; E1407-A1409 PolarHBondContact O-N 2.99Å; E1407-K1410 WeakPolarHBondContact O-CB 3.35Å; E1407-K1410 PolarHBondContact O-N 3.08Å; E1407-K1410 VanDerWaalsContact O-N 3.17Å; E1407-Y1411 HydrophobicContact CB-CE2 4.42Å; E1407-Y1411 WeakPolarHBondContact O-CD2 3.41Å; E1407-Y1411 PolarHBondContact O-N 3.02Å; E1407-Y1411 VanDerWaalsContact O-N 3.13Å |
| 1408 | A | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1399 E1400 N1404 K1410 Y1411 Y1412 N1433 | M1399-A1408 HydrophobicContact CB-CB 3.74Å; E1400-A1408 HydrophobicContact CB-CB 4.49Å; N1404-A1408 WeakPolarHBondContact O-CB 3.35Å; N1404-A1408 PolarHBondContact O-N 3.19Å; A1408-K1410 PolarHBondContact O-N 3.16Å; A1408-Y1411 PolarHBondContact O-N 3.04Å; A1408-Y1412 HydrophobicContact CB-CD2 4.44Å; A1408-Y1412 HydrophobicContact CB-CE2 4.33Å; A1408-Y1412 WeakPolarHBondContact O-CD2 3.49Å; A1408-Y1412 PolarHBondContact O-N 3.06Å; A1408-N1433 HydrophobicContact CB-CB 4.46Å; A1408-N1433 WeakPolarHBondContact CB-OD1 3.32Å |
| 1409 | A | 90.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1405 E1407 Y1411 Y1412 E1413 L1430 N1433 Y1434 | F1405-A1409 WeakPolarHBondContact O-CB 3.39Å; F1405-A1409 PolarHBondContact O-N 3.32Å; E1407-A1409 VanDerWaalsContact C-N 3.29Å; E1407-A1409 PolarHBondContact O-N 2.99Å; A1409-Y1411 VanDerWaalsContact C-N 3.34Å; A1409-Y1411 PolarHBondContact O-N 3.35Å; A1409-Y1412 PolarHBondContact O-N 2.86Å; A1409-E1413 VanDerWaalsContact O-CB 3.26Å; A1409-E1413 WeakPolarHBondContact O-CB 3.36Å; A1409-E1413 PolarHBondContact O-N 3.26Å; A1409-L1430 HydrophobicContact CB-CD1 4.43Å; A1409-L1430 VanDerWaalsContact O-CD1 3.25Å; A1409-L1430 WeakPolarHBondContact O-CD1 3.47Å; A1409-N1433 HydrophobicContact CB-CB 4.03Å; A1409-Y1434 HydrophobicContact CB-CD1 3.73Å; A1409-Y1434 HydrophobicContact CB-CE1 3.77Å |
| 1410 | K | 90.9 | Very high | 85.8 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 176.5 | -67.9 | 174.4 | -175.8 | 174.7 | 0 | 111.5 | S1406 E1407 A1408 E1413 Y1414 | S1406-K1410 PolarHBondContact O-N 2.89Å; E1407-K1410 WeakPolarHBondContact O-CB 3.35Å; E1407-K1410 PolarHBondContact O-N 3.08Å; E1407-K1410 VanDerWaalsContact O-N 3.17Å; A1408-K1410 PolarHBondContact O-N 3.16Å; K1410-E1413 WeakPolarHBondContact O-CB 3.41Å; K1410-E1413 PolarHBondContact O-N 3.28Å; K1410-Y1414 WeakPolarHBondContact O-CD2 3.33Å; K1410-Y1414 PolarHBondContact O-N 3.35Å; K1410-Y1414 VanDerWaalsContact O-N 3.11Å |
| 1411 | Y | 90.9 | Very high | 85.3 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 179.8 | -67.4 | -54.2 | 0 | 0 | 0 | 112.5 | Y1392 F1395 M1399 E1407 A1408 A1409 E1413 Y1414 V1415 | Y1392-Y1411 AromaticContact CD1-CD1 3.66Å; Y1392-Y1411 HydrophobicContact CD1-CD1 3.66Å; Y1392-Y1411 HydrophobicContact CD1-CE1 4.19Å; Y1392-Y1411 HydrophobicContact CE1-CD1 4.22Å; Y1392-Y1411 HydrophobicContact CE1-CE1 4.4Å; F1395-Y1411 HydrophobicContact CB-CD1 4.08Å; F1395-Y1411 HydrophobicContact CB-CD2 3.76Å; F1395-Y1411 HydrophobicContact CB-CE1 4.23Å; F1395-Y1411 HydrophobicContact CB-CE2 3.95Å; F1395-Y1411 HydrophobicContact CB-CG 3.82Å; F1395-Y1411 HydrophobicContact CD1-CE2 4.38Å; F1395-Y1411 HydrophobicContact CG-CE1 4.37Å; F1395-Y1411 HydrophobicContact CG-CE2 4.37Å; M1399-Y1411 HydrophobicContact CE-CE2 4.2Å; M1399-Y1411 HydrophobicContact CG-CD2 4.02Å; M1399-Y1411 HydrophobicContact CG-CE2 3.84Å; E1407-Y1411 HydrophobicContact CB-CE2 4.42Å; E1407-Y1411 WeakPolarHBondContact O-CD2 3.41Å; E1407-Y1411 PolarHBondContact O-N 3.02Å; E1407-Y1411 VanDerWaalsContact O-N 3.13Å; A1408-Y1411 PolarHBondContact O-N 3.04Å; A1409-Y1411 VanDerWaalsContact C-N 3.34Å; A1409-Y1411 PolarHBondContact O-N 3.35Å; Y1411-E1413 VanDerWaalsContact C-N 3.28Å; Y1411-E1413 PolarHBondContact O-N 2.82Å; Y1411-Y1414 PolarHBondContact O-N 3.04Å; Y1411-V1415 WeakPolarHBondContact O-CG2 3.39Å; Y1411-V1415 PolarHBondContact O-N 3.06Å; Y1411-V1415 VanDerWaalsContact O-N 3.13Å |
| 1412 | Y | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -30.3 | 176 | -70.5 | -54.7 | 0 | 0 | 0 | 112.8 | E1393 G1396 L1397 E1400 A1408 A1409 V1415 W1416 K1429 N1433 | E1393-Y1412 HydrophobicContact CG-CE1 4.12Å; G1396-Y1412 VanDerWaalsContact C-CZ 3.48Å; L1397-Y1412 WeakPolarHBondContact CA-OH 3.47Å; L1397-Y1412 PolarHBondContact N-OH 3.15Å; E1400-Y1412 PolarHBondContact OE2-OH 2.89Å; A1408-Y1412 HydrophobicContact CB-CD2 4.44Å; A1408-Y1412 HydrophobicContact CB-CE2 4.33Å; A1408-Y1412 WeakPolarHBondContact O-CD2 3.49Å; A1408-Y1412 PolarHBondContact O-N 3.06Å; A1409-Y1412 PolarHBondContact O-N 2.86Å; Y1412-V1415 PolarHBondContact O-N 3.18Å; Y1412-W1416 VanDerWaalsContact O-CB 3.28Å; Y1412-W1416 WeakPolarHBondContact O-CB 3.41Å; Y1412-W1416 PolarHBondContact O-N 2.8Å; Y1412-K1429 HydrophobicContact CD1-CB 4.21Å; Y1412-K1429 HydrophobicContact CD1-CD 4.43Å; Y1412-K1429 HydrophobicContact CD2-CB 4.22Å; Y1412-K1429 HydrophobicContact CE1-CB 4.05Å; Y1412-K1429 HydrophobicContact CE1-CD 3.65Å; Y1412-K1429 HydrophobicContact CE1-CG 4.46Å; Y1412-K1429 HydrophobicContact CE2-CB 4.05Å; Y1412-K1429 HydrophobicContact CG-CB 4.29Å; Y1412-N1433 VanDerWaalsContact CD2-ND2 3.34Å; Y1412-N1433 WeakPolarHBondContact CD2-ND2 3.45Å; Y1412-N1433 WeakPolarHBondContact CE2-ND2 3.49Å |
| 1413 | E | 89 | Confident | 83.9 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.4 | -172.8 | 180 | 170.5 | 0 | 0 | 111.4 | A1409 K1410 Y1411 V1415 W1416 N1417 L1430 Y1434 | A1409-E1413 VanDerWaalsContact O-CB 3.26Å; A1409-E1413 WeakPolarHBondContact O-CB 3.36Å; A1409-E1413 PolarHBondContact O-N 3.26Å; K1410-E1413 WeakPolarHBondContact O-CB 3.41Å; K1410-E1413 PolarHBondContact O-N 3.28Å; Y1411-E1413 VanDerWaalsContact C-N 3.28Å; Y1411-E1413 PolarHBondContact O-N 2.82Å; E1413-V1415 VanDerWaalsContact C-N 3.32Å; E1413-V1415 PolarHBondContact O-N 2.86Å; E1413-W1416 PolarHBondContact O-N 3.16Å; E1413-N1417 WeakPolarHBondContact O-CB 3.34Å; E1413-N1417 PolarHBondContact O-N 2.92Å; E1413-N1417 PolarHBondContact O-ND2 3.35Å; E1413-L1430 HydrophobicContact CB-CD1 3.96Å; E1413-L1430 HydrophobicContact CB-CD2 4.41Å; E1413-Y1434 WeakPolarHBondContact CG-OH 3.36Å; E1413-Y1434 PolarHBondContact OE2-OH 3.12Å |
| 1414 | Y | 84.5 | Confident | 83.5 | Confident | 134 Ų | 134 | 51.6 Ų | 51.6 | 53% | 0.525 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 171.7 | -84.5 | -72.2 | 0 | 0 | 0 | 112 | K1410 Y1411 N1418 | K1410-Y1414 WeakPolarHBondContact O-CD2 3.33Å; K1410-Y1414 PolarHBondContact O-N 3.35Å; K1410-Y1414 VanDerWaalsContact O-N 3.11Å; Y1411-Y1414 PolarHBondContact O-N 3.04Å; Y1414-N1418 VanDerWaalsContact O-CB 3.31Å; Y1414-N1418 WeakPolarHBondContact O-CB 3.42Å; Y1414-N1418 PolarHBondContact O-N 2.87Å |
| 1415 | V | 83.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 111 | S1389 E1393 Y1411 Y1412 E1413 N1417 N1418 S1419 I1426 | S1389-V1415 VanDerWaalsContact O-CG2 3.3Å; S1389-V1415 WeakPolarHBondContact O-CG2 3.34Å; E1393-V1415 HydrophobicContact CB-CG2 4.43Å; Y1411-V1415 WeakPolarHBondContact O-CG2 3.39Å; Y1411-V1415 PolarHBondContact O-N 3.06Å; Y1411-V1415 VanDerWaalsContact O-N 3.13Å; Y1412-V1415 PolarHBondContact O-N 3.18Å; E1413-V1415 VanDerWaalsContact C-N 3.32Å; E1413-V1415 PolarHBondContact O-N 2.86Å; V1415-N1417 PolarHBondContact O-N 3.48Å; V1415-N1418 PolarHBondContact O-N 3.45Å; V1415-S1419 VanDerWaalsContact O-CB 3.26Å; V1415-S1419 WeakPolarHBondContact O-CB 3.21Å; V1415-S1419 PolarHBondContact O-N 2.98Å; V1415-S1419 PolarHBondContact O-OG 3.5Å; V1415-I1426 HydrophobicContact CB-CG2 4Å; V1415-I1426 HydrophobicContact CG1-CB 4.49Å; V1415-I1426 HydrophobicContact CG1-CD1 3.3Å; V1415-I1426 HydrophobicContact CG1-CG1 3.94Å; V1415-I1426 HydrophobicContact CG1-CG2 3.89Å |
| 1416 | W | 85 | Confident | 82.8 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -52.3 | 179.5 | -175.3 | -119 | 0 | 0 | 0 | 110.6 | Y1412 E1413 S1419 H1421 S1423 I1426 L1430 Q1449 V1450 | Y1412-W1416 VanDerWaalsContact O-CB 3.28Å; Y1412-W1416 WeakPolarHBondContact O-CB 3.41Å; Y1412-W1416 PolarHBondContact O-N 2.8Å; E1413-W1416 PolarHBondContact O-N 3.16Å; W1416-S1419 PolarHBondContact O-N 3.33Å; W1416-S1419 PolarHBondContact O-OG 2.87Å; W1416-H1421 AromaticContact CD1-CD2 3.4Å; W1416-H1421 VanDerWaalsContact CD1-CD2 3.4Å; W1416-H1421 AromaticContact CD1-NE2 3.59Å; W1416-H1421 HydrophobicContact CD2-CB 4.35Å; W1416-H1421 AromaticContact CE2-CD2 3.73Å; W1416-H1421 AromaticContact CE2-CG 3.73Å; W1416-H1421 AromaticContact CG-CD2 3.85Å; W1416-H1421 HydrophobicContact CH2-CB 3.98Å; W1416-H1421 WeakPolarHBondContact CH2-O 3.43Å; W1416-H1421 HydrophobicContact CZ2-CB 3.58Å; W1416-H1421 HydrophobicContact CZ3-CB 4.49Å; W1416-H1421 WeakPolarHBondContact CZ3-O 3.42Å; W1416-H1421 AromaticContact NE1-CD2 3.32Å; W1416-H1421 PolarHBondContact NE1-CD2 3.43Å; W1416-H1421 VanDerWaalsContact NE1-CD2 3.32Å; W1416-H1421 AromaticContact NE1-CG 3.56Å; W1416-H1421 AromaticContact NE1-ND1 3.98Å; W1416-H1421 AromaticContact NE1-NE2 3.63Å; W1416-H1421 PolarHBondContact O-CD2 3.49Å; W1416-H1421 PolarHBondContact O-N 3.17Å; W1416-S1423 WeakPolarHBondContact CZ3-O 3.27Å; W1416-I1426 HydrophobicContact CB-CG2 4.23Å; W1416-I1426 HydrophobicContact CE3-CG2 4.3Å; W1416-L1430 HydrophobicContact CB-CD2 3.81Å; W1416-L1430 HydrophobicContact CG-CD2 3.84Å; W1416-Q1449 HydrophobicContact CZ2-CB 4.12Å; W1416-V1450 HydrophobicContact CH2-CG2 3.83Å; W1416-V1450 HydrophobicContact CZ2-CG2 4.25Å |
| 1417 | N | 83.5 | Confident | 82.6 | Confident | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 179.3 | -68.8 | -23.1 | 0 | 0 | 0 | 112.7 | E1413 V1415 S1419 N1420 H1421 | E1413-N1417 WeakPolarHBondContact O-CB 3.34Å; E1413-N1417 PolarHBondContact O-N 2.92Å; E1413-N1417 PolarHBondContact O-ND2 3.35Å; V1415-N1417 PolarHBondContact O-N 3.48Å; N1417-S1419 VanDerWaalsContact C-N 3.25Å; N1417-S1419 PolarHBondContact O-N 3.46Å; N1417-N1420 PolarHBondContact O-N 3.34Å; N1417-H1421 PolarHBondContact OD1-NE2 2.62Å; N1417-H1421 VanDerWaalsContact OD1-NE2 3.11Å |
| 1418 | N | 75.6 | Confident | 82.5 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.7 | -24.1 | 177.6 | -72.6 | -8.2 | 0 | 0 | 0 | 113.1 | Y1414 V1415 N1420 | Y1414-N1418 VanDerWaalsContact O-CB 3.31Å; Y1414-N1418 WeakPolarHBondContact O-CB 3.42Å; Y1414-N1418 PolarHBondContact O-N 2.87Å; V1415-N1418 PolarHBondContact O-N 3.45Å; N1418-N1420 VanDerWaalsContact C-N 3.31Å |
| 1419 | S | 70 | Confident | 82.3 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 12.7 | 178.7 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | V1415 W1416 N1417 H1421 Q1422 | V1415-S1419 VanDerWaalsContact O-CB 3.26Å; V1415-S1419 WeakPolarHBondContact O-CB 3.21Å; V1415-S1419 PolarHBondContact O-N 2.98Å; V1415-S1419 PolarHBondContact O-OG 3.5Å; W1416-S1419 PolarHBondContact O-N 3.33Å; W1416-S1419 PolarHBondContact O-OG 2.87Å; N1417-S1419 VanDerWaalsContact C-N 3.25Å; N1417-S1419 PolarHBondContact O-N 3.46Å; S1419-H1421 PolarHBondContact O-N 3.28Å; S1419-Q1422 WeakPolarHBondContact O-CB 3.09Å; S1419-Q1422 WeakPolarHBondContact O-CG 3.39Å; S1419-Q1422 PolarHBondContact O-N 2.98Å |
| 1420 | N | 72.9 | Confident | 82.2 | Confident | 79 Ų | 79 | 47.6 Ų | 47.6 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 34.2 | -174.1 | -77.5 | -7.4 | 0 | 0 | 0 | 113.1 | E1188 N1417 N1418 Q1422 | E1188-N1420 PolarHBondContact OE1-ND2 3.45Å; N1417-N1420 PolarHBondContact O-N 3.34Å; N1418-N1420 VanDerWaalsContact C-N 3.31Å; N1420-Q1422 HydrophobicContact CB-CG 4.38Å; N1420-Q1422 PolarHBondContact O-N 3.12Å |
| 1421 | H | 76.2 | Confident | 82.1 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 21.5 | -179.8 | -54 | 173 | 0 | 0 | 0 | 114.4 | W1416 N1417 S1419 I1453 | W1416-H1421 AromaticContact CD1-CD2 3.4Å; W1416-H1421 VanDerWaalsContact CD1-CD2 3.4Å; W1416-H1421 AromaticContact CD1-NE2 3.59Å; W1416-H1421 HydrophobicContact CD2-CB 4.35Å; W1416-H1421 AromaticContact CE2-CD2 3.73Å; W1416-H1421 AromaticContact CE2-CG 3.73Å; W1416-H1421 AromaticContact CG-CD2 3.85Å; W1416-H1421 HydrophobicContact CH2-CB 3.98Å; W1416-H1421 WeakPolarHBondContact CH2-O 3.43Å; W1416-H1421 HydrophobicContact CZ2-CB 3.58Å; W1416-H1421 HydrophobicContact CZ3-CB 4.49Å; W1416-H1421 WeakPolarHBondContact CZ3-O 3.42Å; W1416-H1421 AromaticContact NE1-CD2 3.32Å; W1416-H1421 PolarHBondContact NE1-CD2 3.43Å; W1416-H1421 VanDerWaalsContact NE1-CD2 3.32Å; W1416-H1421 AromaticContact NE1-CG 3.56Å; W1416-H1421 AromaticContact NE1-ND1 3.98Å; W1416-H1421 AromaticContact NE1-NE2 3.63Å; W1416-H1421 PolarHBondContact O-CD2 3.49Å; W1416-H1421 PolarHBondContact O-N 3.17Å; N1417-H1421 PolarHBondContact OD1-NE2 2.62Å; N1417-H1421 VanDerWaalsContact OD1-NE2 3.11Å; S1419-H1421 PolarHBondContact O-N 3.28Å; H1421-I1453 WeakPolarHBondContact O-CD1 3.41Å |
| 1422 | Q | 69.4 | Low | 82.1 | Confident | 91 Ų | 91 | 42.3 Ų | 42.3 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | trans | -85.8 | -22.1 | -173.1 | -63.8 | -176.7 | -0.1 | 0 | 0 | 114.6 | S1419 N1420 P1424 | S1419-Q1422 WeakPolarHBondContact O-CB 3.09Å; S1419-Q1422 WeakPolarHBondContact O-CG 3.39Å; S1419-Q1422 PolarHBondContact O-N 2.98Å; N1420-Q1422 HydrophobicContact CB-CG 4.38Å; N1420-Q1422 PolarHBondContact O-N 3.12Å; Q1422-P1424 WeakPolarHBondContact O-CD 3.31Å | ||
| 1423 | S | 75 | Confident | 82.1 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | trans | -93.8 | 99.5 | -171.5 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | W1416 V1425 I1426 G1427 | W1416-S1423 WeakPolarHBondContact CZ3-O 3.27Å; S1423-V1425 PolarHBondContact O-N 2.61Å; S1423-V1425 VanDerWaalsContact O-N 3.1Å; S1423-I1426 PolarHBondContact O-N 3.18Å; S1423-I1426 WeakPolarHBondContact OG-CD1 3.32Å; S1423-G1427 PolarHBondContact O-N 3.32Å; S1423-G1427 VanDerWaalsContact O-N 3.08Å | ||
| 1424 | P | 78.2 | Confident | 82.2 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -26 | -174.4 | 27.9 | -36.2 | 0 | 0 | 0 | 112.9 | Q1422 G1427 Y1428 V1450 Y1454 Y1457 | Q1422-P1424 WeakPolarHBondContact O-CD 3.31Å; P1424-G1427 PolarHBondContact O-N 3.43Å; P1424-Y1428 WeakPolarHBondContact O-CB 3.43Å; P1424-Y1428 PolarHBondContact O-N 3.01Å; P1424-V1450 HydrophobicContact CB-CG1 4.06Å; P1424-Y1454 HydrophobicContact CB-CD2 3.68Å; P1424-Y1454 HydrophobicContact CB-CE2 4.05Å; P1424-Y1454 HydrophobicContact CB-CG 4.38Å; P1424-Y1454 HydrophobicContact CG-CD2 3.75Å; P1424-Y1454 HydrophobicContact CG-CE2 3.65Å; P1424-Y1454 HydrophobicContact CG-CG 4.43Å; P1424-Y1457 HydrophobicContact CB-CD2 3.78Å; P1424-Y1457 HydrophobicContact CB-CE2 3.69Å; P1424-Y1457 HydrophobicContact CG-CD2 4.37Å; P1424-Y1457 HydrophobicContact CG-CE2 4.11Å |
| 1425 | V | 81.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 33% | 0.327 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 111 | S1423 K1429 | S1423-V1425 PolarHBondContact O-N 2.61Å; S1423-V1425 VanDerWaalsContact O-N 3.1Å; V1425-K1429 HydrophobicContact CG1-CD 4.46Å; V1425-K1429 WeakPolarHBondContact O-CG 3.14Å; V1425-K1429 PolarHBondContact O-N 2.97Å |
| 1426 | I | 83.7 | Confident | 82.6 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.2 | -40.9 | 177.7 | -69.9 | 151.7 | 0 | 0 | 0 | 110 | V1415 W1416 S1423 Y1428 K1429 L1430 | V1415-I1426 HydrophobicContact CB-CG2 4Å; V1415-I1426 HydrophobicContact CG1-CB 4.49Å; V1415-I1426 HydrophobicContact CG1-CD1 3.3Å; V1415-I1426 HydrophobicContact CG1-CG1 3.94Å; V1415-I1426 HydrophobicContact CG1-CG2 3.89Å; W1416-I1426 HydrophobicContact CB-CG2 4.23Å; W1416-I1426 HydrophobicContact CE3-CG2 4.3Å; S1423-I1426 PolarHBondContact O-N 3.18Å; S1423-I1426 WeakPolarHBondContact OG-CD1 3.32Å; I1426-Y1428 VanDerWaalsContact C-N 3.32Å; I1426-Y1428 PolarHBondContact O-N 2.89Å; I1426-K1429 PolarHBondContact O-N 3.2Å; I1426-L1430 WeakPolarHBondContact O-CB 3.41Å; I1426-L1430 PolarHBondContact O-N 3.37Å |
| 1427 | G | 84.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1423 P1424 L1430 A1431 V1446 | S1423-G1427 PolarHBondContact O-N 3.32Å; S1423-G1427 VanDerWaalsContact O-N 3.08Å; P1424-G1427 PolarHBondContact O-N 3.43Å; G1427-L1430 PolarHBondContact O-N 2.89Å; G1427-A1431 WeakPolarHBondContact O-CB 3.35Å; G1427-A1431 PolarHBondContact O-N 2.93Å; G1427-V1446 WeakPolarHBondContact O-CG1 3.47Å |
| 1428 | Y | 87.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 172.9 | 176.4 | -91.6 | 0 | 0 | 0 | 112.3 | P1424 I1426 L1430 A1431 Y1432 Y1457 K1459 I1460 I1464 | P1424-Y1428 WeakPolarHBondContact O-CB 3.43Å; P1424-Y1428 PolarHBondContact O-N 3.01Å; I1426-Y1428 VanDerWaalsContact C-N 3.32Å; I1426-Y1428 PolarHBondContact O-N 2.89Å; Y1428-L1430 VanDerWaalsContact C-N 3.35Å; Y1428-L1430 PolarHBondContact O-N 3.06Å; Y1428-A1431 PolarHBondContact O-N 3.1Å; Y1428-Y1432 VanDerWaalsContact O-CB 3.28Å; Y1428-Y1432 WeakPolarHBondContact O-CB 3.13Å; Y1428-Y1432 PolarHBondContact O-N 3.12Å; Y1428-Y1457 HydrophobicContact CD2-CD1 4.42Å; Y1428-Y1457 AromaticContact CD2-CE1 3.71Å; Y1428-Y1457 HydrophobicContact CD2-CE1 3.71Å; Y1428-Y1457 AromaticContact CG-CE1 3.86Å; Y1428-Y1457 HydrophobicContact CG-CE1 3.86Å; Y1428-K1459 HydrophobicContact CE2-CB 4.12Å; Y1428-I1460 HydrophobicContact CD2-CB 4.06Å; Y1428-I1460 HydrophobicContact CD2-CD1 4.38Å; Y1428-I1460 HydrophobicContact CD2-CG1 4.19Å; Y1428-I1464 HydrophobicContact CD2-CD1 3.6Å; Y1428-I1464 HydrophobicContact CE2-CD1 3.46Å; Y1428-I1464 VanDerWaalsContact CE2-CD1 3.46Å; Y1428-I1464 HydrophobicContact CE2-CG1 4.34Å; Y1428-I1464 HydrophobicContact CG-CD1 4.27Å |
| 1429 | K | 86.8 | Confident | 83.4 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.4 | -73.3 | 172.3 | 173.5 | -172.1 | 0 | 111.4 | E1393 Y1412 V1425 I1426 Y1432 N1433 | E1393-K1429 IonicContact OE1-NZ 2.7Å; E1393-K1429 PolarHBondContact OE1-NZ 3.17Å; Y1412-K1429 HydrophobicContact CD1-CB 4.21Å; Y1412-K1429 HydrophobicContact CD1-CD 4.43Å; Y1412-K1429 HydrophobicContact CD2-CB 4.22Å; Y1412-K1429 HydrophobicContact CE1-CB 4.05Å; Y1412-K1429 HydrophobicContact CE1-CD 3.65Å; Y1412-K1429 HydrophobicContact CE1-CG 4.46Å; Y1412-K1429 HydrophobicContact CE2-CB 4.05Å; Y1412-K1429 HydrophobicContact CG-CB 4.29Å; V1425-K1429 HydrophobicContact CG1-CD 4.46Å; V1425-K1429 WeakPolarHBondContact O-CG 3.14Å; V1425-K1429 PolarHBondContact O-N 2.97Å; I1426-K1429 PolarHBondContact O-N 3.2Å; K1429-Y1432 PolarHBondContact O-N 3.2Å; K1429-N1433 WeakPolarHBondContact O-CB 3.35Å; K1429-N1433 PolarHBondContact O-N 3.41Å; K1429-N1433 PolarHBondContact O-ND2 3.39Å |
| 1430 | L | 89.4 | Confident | 84.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 177.2 | 179.1 | 58.8 | 0 | 0 | 0 | 111.1 | A1409 E1413 W1416 I1426 G1427 Y1428 Y1432 N1433 Y1434 V1446 | A1409-L1430 HydrophobicContact CB-CD1 4.43Å; A1409-L1430 VanDerWaalsContact O-CD1 3.25Å; A1409-L1430 WeakPolarHBondContact O-CD1 3.47Å; E1413-L1430 HydrophobicContact CB-CD1 3.96Å; E1413-L1430 HydrophobicContact CB-CD2 4.41Å; W1416-L1430 HydrophobicContact CB-CD2 3.81Å; W1416-L1430 HydrophobicContact CG-CD2 3.84Å; I1426-L1430 WeakPolarHBondContact O-CB 3.41Å; I1426-L1430 PolarHBondContact O-N 3.37Å; G1427-L1430 PolarHBondContact O-N 2.89Å; Y1428-L1430 VanDerWaalsContact C-N 3.35Å; Y1428-L1430 PolarHBondContact O-N 3.06Å; L1430-Y1432 VanDerWaalsContact C-N 3.29Å; L1430-Y1432 PolarHBondContact O-N 3.45Å; L1430-N1433 PolarHBondContact O-N 3.11Å; L1430-Y1434 HydrophobicContact CD1-CD2 3.93Å; L1430-Y1434 HydrophobicContact CD1-CE1 4.3Å; L1430-Y1434 HydrophobicContact CD1-CE2 3.46Å; L1430-Y1434 VanDerWaalsContact CD1-CE2 3.46Å; L1430-Y1434 HydrophobicContact CD2-CE2 4.01Å; L1430-Y1434 HydrophobicContact CG-CD2 3.88Å; L1430-Y1434 HydrophobicContact CG-CE2 3.54Å; L1430-Y1434 PolarHBondContact O-N 3.49Å; L1430-V1446 HydrophobicContact CB-CG1 4.23Å; L1430-V1446 HydrophobicContact CD2-CG1 4.05Å; L1430-V1446 HydrophobicContact CD2-CG2 3.69Å; L1430-V1446 HydrophobicContact CG-CG1 4.24Å; L1430-V1446 HydrophobicContact CG-CG2 4.08Å |
| 1431 | A | 88.3 | Confident | 85 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1427 Y1428 L1435 A1443 V1446 I1464 | G1427-A1431 WeakPolarHBondContact O-CB 3.35Å; G1427-A1431 PolarHBondContact O-N 2.93Å; Y1428-A1431 PolarHBondContact O-N 3.1Å; A1431-L1435 WeakPolarHBondContact O-CB 3.43Å; A1431-L1435 PolarHBondContact O-N 3.44Å; A1431-A1443 WeakPolarHBondContact O-CB 3.3Å; A1431-V1446 HydrophobicContact CB-CB 4.14Å; A1431-V1446 HydrophobicContact CB-CG1 4.02Å; A1431-I1464 HydrophobicContact CB-CD1 4.18Å; A1431-I1464 HydrophobicContact CB-CG2 3.87Å; A1431-I1464 WeakPolarHBondContact O-CG2 3.46Å |
| 1432 | Y | 89.8 | Confident | 85.6 | Confident | 66 Ų | 66 | 45 Ų | 45 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.4 | 177.7 | -103.9 | 0 | 0 | 0 | 112.1 | Y1428 K1429 L1430 L1435 K1436 | Y1428-Y1432 VanDerWaalsContact O-CB 3.28Å; Y1428-Y1432 WeakPolarHBondContact O-CB 3.13Å; Y1428-Y1432 PolarHBondContact O-N 3.12Å; K1429-Y1432 PolarHBondContact O-N 3.2Å; L1430-Y1432 VanDerWaalsContact C-N 3.29Å; L1430-Y1432 PolarHBondContact O-N 3.45Å; Y1432-L1435 WeakPolarHBondContact O-CB 3.15Å; Y1432-L1435 PolarHBondContact O-N 2.93Å; Y1432-K1436 HydrophobicContact CE1-CG 4.2Å; Y1432-K1436 HydrophobicContact CE2-CG 4.38Å; Y1432-K1436 WeakPolarHBondContact O-CG 3.39Å; Y1432-K1436 PolarHBondContact O-N 2.84Å; Y1432-K1436 VanDerWaalsContact OH-CE 3.26Å; Y1432-K1436 WeakPolarHBondContact OH-CE 3.41Å |
| 1433 | N | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 178.6 | -78.6 | -74.5 | 0 | 0 | 0 | 112.1 | F1405 A1408 A1409 Y1412 K1429 L1430 L1435 K1436 S1437 | F1405-N1433 WeakPolarHBondContact CD1-OD1 3.09Å; A1408-N1433 HydrophobicContact CB-CB 4.46Å; A1408-N1433 WeakPolarHBondContact CB-OD1 3.32Å; A1409-N1433 HydrophobicContact CB-CB 4.03Å; Y1412-N1433 VanDerWaalsContact CD2-ND2 3.34Å; Y1412-N1433 WeakPolarHBondContact CD2-ND2 3.45Å; Y1412-N1433 WeakPolarHBondContact CE2-ND2 3.49Å; K1429-N1433 WeakPolarHBondContact O-CB 3.35Å; K1429-N1433 PolarHBondContact O-N 3.41Å; K1429-N1433 PolarHBondContact O-ND2 3.39Å; L1430-N1433 PolarHBondContact O-N 3.11Å; N1433-L1435 VanDerWaalsContact C-N 3.35Å; N1433-L1435 PolarHBondContact O-N 3.31Å; N1433-K1436 PolarHBondContact O-N 3.17Å; N1433-S1437 WeakPolarHBondContact O-CB 3.43Å; N1433-S1437 PolarHBondContact O-N 2.59Å; N1433-S1437 PolarHBondContact O-OG 3.22Å |
| 1434 | Y | 90.9 | Very high | 87 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 9% | 0.09 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 171.6 | -79.5 | -37.3 | 0 | 0 | 0 | 112.7 | A1409 E1413 L1430 K1436 S1437 K1438 N1439 G1442 V1446 | A1409-Y1434 HydrophobicContact CB-CD1 3.73Å; A1409-Y1434 HydrophobicContact CB-CE1 3.77Å; E1413-Y1434 WeakPolarHBondContact CG-OH 3.36Å; E1413-Y1434 PolarHBondContact OE2-OH 3.12Å; L1430-Y1434 HydrophobicContact CD1-CD2 3.93Å; L1430-Y1434 HydrophobicContact CD1-CE1 4.3Å; L1430-Y1434 HydrophobicContact CD1-CE2 3.46Å; L1430-Y1434 VanDerWaalsContact CD1-CE2 3.46Å; L1430-Y1434 HydrophobicContact CD2-CE2 4.01Å; L1430-Y1434 HydrophobicContact CG-CD2 3.88Å; L1430-Y1434 HydrophobicContact CG-CE2 3.54Å; L1430-Y1434 PolarHBondContact O-N 3.49Å; Y1434-K1436 VanDerWaalsContact C-N 3.32Å; Y1434-K1436 PolarHBondContact O-N 3.45Å; Y1434-S1437 PolarHBondContact O-N 3.49Å; Y1434-S1437 PolarHBondContact O-OG 2.93Å; Y1434-K1438 PolarHBondContact O-N 3.15Å; Y1434-N1439 WeakPolarHBondContact CB-O 3.47Å; Y1434-N1439 HydrophobicContact CD1-CB 3.9Å; Y1434-N1439 WeakPolarHBondContact CD1-ND2 3.49Å; Y1434-N1439 HydrophobicContact CG-CB 4.35Å; Y1434-N1439 CarbonylContact O-C 3.57Å; Y1434-N1439 PolarHBondContact O-N 3.35Å; Y1434-G1442 VanDerWaalsContact CD2-C 3.48Å; Y1434-V1446 HydrophobicContact CD2-CG2 4.23Å; Y1434-V1446 HydrophobicContact CE2-CG2 3.94Å |
| 1435 | L | 89.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.2 | 179.5 | 153.5 | 0 | 0 | 0 | 111.2 | A1431 Y1432 N1433 K1438 A1443 I1464 K1467 A1468 | A1431-L1435 WeakPolarHBondContact O-CB 3.43Å; A1431-L1435 PolarHBondContact O-N 3.44Å; Y1432-L1435 WeakPolarHBondContact O-CB 3.15Å; Y1432-L1435 PolarHBondContact O-N 2.93Å; N1433-L1435 VanDerWaalsContact C-N 3.35Å; N1433-L1435 PolarHBondContact O-N 3.31Å; L1435-K1438 PolarHBondContact O-N 2.75Å; L1435-A1443 HydrophobicContact CB-CB 4.26Å; L1435-I1464 HydrophobicContact CB-CG2 4.3Å; L1435-I1464 HydrophobicContact CD1-CB 4.35Å; L1435-I1464 HydrophobicContact CD1-CG2 4.01Å; L1435-I1464 WeakPolarHBondContact CD1-O 3.44Å; L1435-K1467 HydrophobicContact CD1-CB 3.76Å; L1435-A1468 HydrophobicContact CD1-CB 4.39Å |
| 1436 | K | 88.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 42.6 Ų | 42.6 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71 | -31.4 | 179.2 | -69 | -67.2 | -175 | 177.1 | 0 | 113.2 | F1405 Y1432 N1433 Y1434 K1438 | F1405-K1436 HydrophobicContact CB-CB 3.76Å; F1405-K1436 HydrophobicContact CD1-CB 3.62Å; F1405-K1436 HydrophobicContact CD1-CG 4Å; F1405-K1436 HydrophobicContact CD2-CB 3.72Å; F1405-K1436 HydrophobicContact CE1-CB 4.13Å; F1405-K1436 HydrophobicContact CE1-CG 4.08Å; F1405-K1436 HydrophobicContact CE2-CB 4.21Å; F1405-K1436 HydrophobicContact CG-CB 3.39Å; F1405-K1436 HydrophobicContact CG-CG 4.24Å; F1405-K1436 HydrophobicContact CZ-CB 4.4Å; F1405-K1436 HydrophobicContact CZ-CG 4.37Å; Y1432-K1436 HydrophobicContact CE1-CG 4.2Å; Y1432-K1436 HydrophobicContact CE2-CG 4.38Å; Y1432-K1436 WeakPolarHBondContact O-CG 3.39Å; Y1432-K1436 PolarHBondContact O-N 2.84Å; Y1432-K1436 VanDerWaalsContact OH-CE 3.26Å; Y1432-K1436 WeakPolarHBondContact OH-CE 3.41Å; N1433-K1436 PolarHBondContact O-N 3.17Å; Y1434-K1436 VanDerWaalsContact C-N 3.32Å; Y1434-K1436 PolarHBondContact O-N 3.45Å; K1436-K1438 PolarHBondContact O-N 2.94Å |
| 1437 | S | 86.1 | Confident | 87.9 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 28% | 0.28 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 6.1 | 175.1 | 80 | 0 | 0 | 0 | 0 | 113.6 | N1433 Y1434 N1439 | N1433-S1437 WeakPolarHBondContact O-CB 3.43Å; N1433-S1437 PolarHBondContact O-N 2.59Å; N1433-S1437 PolarHBondContact O-OG 3.22Å; Y1434-S1437 PolarHBondContact O-N 3.49Å; Y1434-S1437 PolarHBondContact O-OG 2.93Å; S1437-N1439 PolarHBondContact O-N 3.11Å |
| 1438 | K | 86.8 | Confident | 88 | Confident | 158 Ų | 158 | 46 Ų | 46 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.7 | -175.2 | -52.7 | 179 | 178.3 | 179 | 0 | 114.9 | Y1434 L1435 K1436 Y1440 | Y1434-K1438 PolarHBondContact O-N 3.15Å; L1435-K1438 PolarHBondContact O-N 2.75Å; K1436-K1438 PolarHBondContact O-N 2.94Å; K1438-Y1440 HydrophobicContact CB-CE1 4.41Å; K1438-Y1440 HydrophobicContact CB-CE2 4.36Å; K1438-Y1440 PolarHBondContact O-N 3.1Å |
| 1439 | N | 88.1 | Confident | 87.9 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | trans | -87.6 | 75.9 | 168.8 | -173.7 | 2.6 | 0 | 0 | 0 | 109.9 | Y1434 S1437 L1441 G1442 A1443 | Y1434-N1439 WeakPolarHBondContact CB-O 3.47Å; Y1434-N1439 HydrophobicContact CD1-CB 3.9Å; Y1434-N1439 WeakPolarHBondContact CD1-ND2 3.49Å; Y1434-N1439 HydrophobicContact CG-CB 4.35Å; Y1434-N1439 CarbonylContact O-C 3.57Å; Y1434-N1439 PolarHBondContact O-N 3.35Å; S1437-N1439 PolarHBondContact O-N 3.11Å; N1439-L1441 VanDerWaalsContact C-N 3.33Å; N1439-L1441 PolarHBondContact O-N 3.28Å; N1439-G1442 PolarHBondContact OD1-N 3.37Å; N1439-G1442 VanDerWaalsContact OD1-N 3.15Å; N1439-A1443 PolarHBondContact O-N 3.06Å; N1439-A1443 VanDerWaalsContact O-N 3.12Å | ||
| 1440 | Y | 88 | Confident | 87.8 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 20% | 0.204 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.8 | -32.2 | -174.8 | -50.5 | -55.7 | 0 | 0 | 0 | 113 | K1438 A1443 I1444 A1468 N1471 L1472 | K1438-Y1440 HydrophobicContact CB-CE1 4.41Å; K1438-Y1440 HydrophobicContact CB-CE2 4.36Å; K1438-Y1440 PolarHBondContact O-N 3.1Å; Y1440-A1443 PolarHBondContact O-N 3.46Å; Y1440-I1444 VanDerWaalsContact O-CG1 3.26Å; Y1440-I1444 WeakPolarHBondContact O-CG1 3.38Å; Y1440-I1444 PolarHBondContact O-N 3.08Å; Y1440-I1444 VanDerWaalsContact O-N 3.08Å; Y1440-A1468 HydrophobicContact CD1-CB 4.49Å; Y1440-N1471 HydrophobicContact CD1-CB 3.91Å; Y1440-N1471 HydrophobicContact CD2-CB 4.13Å; Y1440-N1471 HydrophobicContact CE1-CB 3.53Å; Y1440-N1471 HydrophobicContact CE2-CB 3.76Å; Y1440-N1471 HydrophobicContact CG-CB 4.2Å; Y1440-N1471 VanDerWaalsContact CZ-CB 3.44Å; Y1440-L1472 HydrophobicContact CD2-CG 4.46Å |
| 1441 | L | 88.3 | Confident | 87.5 | Confident | 109 Ų | 109 | 46.6 Ų | 46.6 | 57% | 0.571 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.8 | -53.2 | 176.2 | -84.3 | 159.3 | 0 | 0 | 0 | 111 | N1439 A1443 I1444 E1445 L1472 | N1439-L1441 VanDerWaalsContact C-N 3.33Å; N1439-L1441 PolarHBondContact O-N 3.28Å; L1441-A1443 VanDerWaalsContact C-N 3.28Å; L1441-A1443 PolarHBondContact O-N 2.9Å; L1441-I1444 PolarHBondContact O-N 3.21Å; L1441-I1444 VanDerWaalsContact O-N 3.1Å; L1441-E1445 PolarHBondContact O-N 2.91Å; L1441-L1472 HydrophobicContact CG-CD1 4.31Å |
| 1442 | G | 87.6 | Confident | 87.2 | Confident | 7 Ų | 7 | 51 Ų | 51 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1434 N1439 I1444 E1445 V1446 | Y1434-G1442 VanDerWaalsContact CD2-C 3.48Å; N1439-G1442 PolarHBondContact OD1-N 3.37Å; N1439-G1442 VanDerWaalsContact OD1-N 3.15Å; G1442-I1444 VanDerWaalsContact C-N 3.33Å; G1442-I1444 PolarHBondContact O-N 3.23Å; G1442-E1445 PolarHBondContact O-N 3.24Å; G1442-V1446 WeakPolarHBondContact O-CG2 3.42Å; G1442-V1446 PolarHBondContact O-N 2.58Å; G1442-V1446 VanDerWaalsContact O-N 3.08Å |
| 1443 | A | 88.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1431 L1435 N1439 Y1440 L1441 S1447 I1464 A1468 | A1431-A1443 WeakPolarHBondContact O-CB 3.3Å; L1435-A1443 HydrophobicContact CB-CB 4.26Å; N1439-A1443 PolarHBondContact O-N 3.06Å; N1439-A1443 VanDerWaalsContact O-N 3.12Å; Y1440-A1443 PolarHBondContact O-N 3.46Å; L1441-A1443 VanDerWaalsContact C-N 3.28Å; L1441-A1443 PolarHBondContact O-N 2.9Å; A1443-S1447 VanDerWaalsContact O-CB 3.23Å; A1443-S1447 WeakPolarHBondContact O-CB 3.49Å; A1443-S1447 PolarHBondContact O-N 2.86Å; A1443-S1447 VanDerWaalsContact O-N 3.08Å; A1443-S1447 PolarHBondContact O-OG 3.13Å; A1443-I1464 HydrophobicContact CB-CG2 4.31Å; A1443-A1468 HydrophobicContact CB-CB 4.14Å |
| 1444 | I | 87.5 | Confident | 86 | Confident | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -47.4 | 178.2 | -69.6 | 166.8 | 0 | 0 | 0 | 110.6 | Y1440 L1441 G1442 V1446 S1447 L1448 A1468 R1469 L1472 | Y1440-I1444 VanDerWaalsContact O-CG1 3.26Å; Y1440-I1444 WeakPolarHBondContact O-CG1 3.38Å; Y1440-I1444 PolarHBondContact O-N 3.08Å; Y1440-I1444 VanDerWaalsContact O-N 3.08Å; L1441-I1444 PolarHBondContact O-N 3.21Å; L1441-I1444 VanDerWaalsContact O-N 3.1Å; G1442-I1444 VanDerWaalsContact C-N 3.33Å; G1442-I1444 PolarHBondContact O-N 3.23Å; I1444-V1446 PolarHBondContact O-N 2.62Å; I1444-S1447 PolarHBondContact O-N 3.44Å; I1444-L1448 HydrophobicContact CG2-CD1 3.87Å; I1444-L1448 HydrophobicContact CG2-CG 4.34Å; I1444-L1448 VanDerWaalsContact O-CG 3.32Å; I1444-L1448 WeakPolarHBondContact O-CG 3.45Å; I1444-L1448 PolarHBondContact O-N 2.69Å; I1444-A1468 HydrophobicContact CD1-CB 4.37Å; I1444-A1468 HydrophobicContact CG1-CB 3.9Å; I1444-R1469 HydrophobicContact CD1-CG 3.89Å; I1444-R1469 HydrophobicContact CG1-CG 4.33Å; I1444-L1472 HydrophobicContact CD1-CD1 3.45Å; I1444-L1472 VanDerWaalsContact CD1-CD1 3.45Å |
| 1445 | E | 88.8 | Confident | 85.4 | Confident | 117 Ų | 117 | 60.2 Ų | 60.2 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -50.6 | -179.4 | -72.8 | 176.5 | 179.2 | 0 | 0 | 111.7 | L1441 G1442 S1447 L1448 Q1449 | L1441-E1445 PolarHBondContact O-N 2.91Å; G1442-E1445 PolarHBondContact O-N 3.24Å; E1445-S1447 VanDerWaalsContact C-N 3.34Å; E1445-S1447 PolarHBondContact O-N 3.32Å; E1445-L1448 PolarHBondContact O-N 3.02Å; E1445-Q1449 WeakPolarHBondContact O-CG 3.2Å; E1445-Q1449 PolarHBondContact O-N 3.26Å |
| 1446 | V | 86.6 | Confident | 84.8 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | G1427 L1430 A1431 Y1434 G1442 I1444 L1448 Q1449 V1450 | G1427-V1446 WeakPolarHBondContact O-CG1 3.47Å; L1430-V1446 HydrophobicContact CB-CG1 4.23Å; L1430-V1446 HydrophobicContact CD2-CG1 4.05Å; L1430-V1446 HydrophobicContact CD2-CG2 3.69Å; L1430-V1446 HydrophobicContact CG-CG1 4.24Å; L1430-V1446 HydrophobicContact CG-CG2 4.08Å; A1431-V1446 HydrophobicContact CB-CB 4.14Å; A1431-V1446 HydrophobicContact CB-CG1 4.02Å; Y1434-V1446 HydrophobicContact CD2-CG2 4.23Å; Y1434-V1446 HydrophobicContact CE2-CG2 3.94Å; G1442-V1446 WeakPolarHBondContact O-CG2 3.42Å; G1442-V1446 PolarHBondContact O-N 2.58Å; G1442-V1446 VanDerWaalsContact O-N 3.08Å; I1444-V1446 PolarHBondContact O-N 2.62Å; V1446-L1448 VanDerWaalsContact C-N 3.3Å; V1446-L1448 PolarHBondContact O-N 3.19Å; V1446-Q1449 PolarHBondContact O-N 3.26Å; V1446-V1450 HydrophobicContact CG1-CG2 4.36Å; V1446-V1450 WeakPolarHBondContact O-CG2 3.44Å; V1446-V1450 PolarHBondContact O-N 2.72Å |
| 1447 | S | 85.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | A1443 I1444 E1445 L1451 | A1443-S1447 VanDerWaalsContact O-CB 3.23Å; A1443-S1447 WeakPolarHBondContact O-CB 3.49Å; A1443-S1447 PolarHBondContact O-N 2.86Å; A1443-S1447 VanDerWaalsContact O-N 3.08Å; A1443-S1447 PolarHBondContact O-OG 3.13Å; I1444-S1447 PolarHBondContact O-N 3.44Å; E1445-S1447 VanDerWaalsContact C-N 3.34Å; E1445-S1447 PolarHBondContact O-N 3.32Å; S1447-L1451 WeakPolarHBondContact O-CB 3.49Å; S1447-L1451 VanDerWaalsContact O-CG 3.23Å; S1447-L1451 WeakPolarHBondContact O-CG 3.36Å; S1447-L1451 PolarHBondContact O-N 3.13Å |
| 1448 | L | 87.2 | Confident | 83.7 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 176.1 | -69.9 | 172.8 | 0 | 0 | 0 | 112.1 | I1444 E1445 V1446 L1451 S1452 L1465 | I1444-L1448 HydrophobicContact CG2-CD1 3.87Å; I1444-L1448 HydrophobicContact CG2-CG 4.34Å; I1444-L1448 VanDerWaalsContact O-CG 3.32Å; I1444-L1448 WeakPolarHBondContact O-CG 3.45Å; I1444-L1448 PolarHBondContact O-N 2.69Å; E1445-L1448 PolarHBondContact O-N 3.02Å; V1446-L1448 VanDerWaalsContact C-N 3.3Å; V1446-L1448 PolarHBondContact O-N 3.19Å; L1448-L1451 PolarHBondContact O-N 3.38Å; L1448-S1452 PolarHBondContact O-N 3.08Å; L1448-L1465 HydrophobicContact CD2-CD1 3.94Å; L1448-L1465 HydrophobicContact CG-CD1 4.26Å |
| 1449 | Q | 85.6 | Confident | 83.2 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 173.6 | -71.4 | 174.6 | -4.4 | 0 | 0 | 112 | W1416 E1445 V1446 L1451 S1452 I1453 | W1416-Q1449 HydrophobicContact CZ2-CB 4.12Å; E1445-Q1449 WeakPolarHBondContact O-CG 3.2Å; E1445-Q1449 PolarHBondContact O-N 3.26Å; V1446-Q1449 PolarHBondContact O-N 3.26Å; Q1449-L1451 VanDerWaalsContact C-N 3.35Å; Q1449-S1452 PolarHBondContact O-N 3.34Å; Q1449-S1452 PolarHBondContact O-OG 2.75Å; Q1449-I1453 WeakPolarHBondContact O-CG1 3.12Å; Q1449-I1453 PolarHBondContact O-N 3.17Å |
| 1450 | V | 83.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | W1416 P1424 V1446 S1452 I1453 Y1454 Y1457 I1460 | W1416-V1450 HydrophobicContact CH2-CG2 3.83Å; W1416-V1450 HydrophobicContact CZ2-CG2 4.25Å; P1424-V1450 HydrophobicContact CB-CG1 4.06Å; V1446-V1450 HydrophobicContact CG1-CG2 4.36Å; V1446-V1450 WeakPolarHBondContact O-CG2 3.44Å; V1446-V1450 PolarHBondContact O-N 2.72Å; V1450-S1452 VanDerWaalsContact C-N 3.31Å; V1450-S1452 PolarHBondContact O-N 3.08Å; V1450-I1453 PolarHBondContact O-N 3.41Å; V1450-Y1454 PolarHBondContact O-N 3.1Å; V1450-Y1457 HydrophobicContact CG1-CD1 4.36Å; V1450-Y1457 HydrophobicContact CG1-CG 4.23Å; V1450-I1460 HydrophobicContact CB-CD1 3.64Å; V1450-I1460 HydrophobicContact CG1-CD1 3.61Å; V1450-I1460 HydrophobicContact CG2-CD1 4.08Å |
| 1451 | L | 82.7 | Confident | 82.5 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.7 | -23.9 | 177.5 | -73.2 | 170.7 | 0 | 0 | 0 | 113.3 | S1447 L1448 Q1449 Y1454 P1455 I1460 L1465 | S1447-L1451 WeakPolarHBondContact O-CB 3.49Å; S1447-L1451 VanDerWaalsContact O-CG 3.23Å; S1447-L1451 WeakPolarHBondContact O-CG 3.36Å; S1447-L1451 PolarHBondContact O-N 3.13Å; L1448-L1451 PolarHBondContact O-N 3.38Å; Q1449-L1451 VanDerWaalsContact C-N 3.35Å; L1451-Y1454 CarbonylContact O-C 3.56Å; L1451-P1455 VanDerWaalsContact O-CA 3.29Å; L1451-P1455 WeakPolarHBondContact O-CA 3.43Å; L1451-I1460 HydrophobicContact CD1-CG2 4.27Å; L1451-I1460 HydrophobicContact CD2-CG2 3.59Å; L1451-I1460 HydrophobicContact CG-CG2 3.85Å; L1451-L1465 HydrophobicContact CD1-CD1 4.07Å |
| 1452 | S | 82.7 | Confident | 82.1 | Confident | 93 Ų | 93 | 68 Ų | 68 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.8 | -32.4 | 174.1 | 72 | 0 | 0 | 0 | 0 | 112.2 | L1448 Q1449 V1450 | L1448-S1452 PolarHBondContact O-N 3.08Å; Q1449-S1452 PolarHBondContact O-N 3.34Å; Q1449-S1452 PolarHBondContact O-OG 2.75Å; V1450-S1452 VanDerWaalsContact C-N 3.31Å; V1450-S1452 PolarHBondContact O-N 3.08Å |
| 1453 | I | 76 | Confident | 81.8 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -85.9 | -41.8 | 177.8 | -54.9 | 171 | 0 | 0 | 0 | 110.7 | H1421 Q1449 V1450 | H1421-I1453 WeakPolarHBondContact O-CD1 3.41Å; Q1449-I1453 WeakPolarHBondContact O-CG1 3.12Å; Q1449-I1453 PolarHBondContact O-N 3.17Å; V1450-I1453 PolarHBondContact O-N 3.41Å |
| 1454 | Y | 78.3 | Confident | 81.5 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | trans | -130.2 | 87.6 | -179.7 | -66.2 | -84.2 | 0 | 0 | 0 | 111 | P1424 V1450 L1451 N1456 Y1457 | P1424-Y1454 HydrophobicContact CB-CD2 3.68Å; P1424-Y1454 HydrophobicContact CB-CE2 4.05Å; P1424-Y1454 HydrophobicContact CB-CG 4.38Å; P1424-Y1454 HydrophobicContact CG-CD2 3.75Å; P1424-Y1454 HydrophobicContact CG-CE2 3.65Å; P1424-Y1454 HydrophobicContact CG-CG 4.43Å; V1450-Y1454 PolarHBondContact O-N 3.1Å; L1451-Y1454 CarbonylContact O-C 3.56Å; Y1454-N1456 PolarHBondContact O-N 3.22Å; Y1454-N1456 VanDerWaalsContact O-N 3.12Å; Y1454-Y1457 WeakPolarHBondContact O-CB 3.32Å; Y1454-Y1457 PolarHBondContact O-N 2.8Å; Y1454-Y1457 VanDerWaalsContact O-N 3.15Å | ||
| 1455 | P | 77.9 | Confident | 81.4 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 59% | 0.591 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.2 | -175.5 | -26.3 | 34.3 | 0 | 0 | 0 | 114.7 | L1451 | L1451-P1455 VanDerWaalsContact O-CA 3.29Å; L1451-P1455 WeakPolarHBondContact O-CA 3.43Å |
| 1456 | N | 78.4 | Confident | 81.2 | Confident | 158 Ų | 158 | 66.8 Ų | 66.8 | 85% | 0.845 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 18.1 | -176.6 | -67.8 | -17.1 | 0 | 0 | 0 | 113.4 | Y1454 P1458 | Y1454-N1456 PolarHBondContact O-N 3.22Å; Y1454-N1456 VanDerWaalsContact O-N 3.12Å; N1456-P1458 WeakPolarHBondContact O-CD 3.1Å |
| 1457 | Y | 75.5 | Confident | 81.1 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | trans | -63.5 | 121.1 | -177.8 | -167.5 | -93.8 | 0 | 0 | 0 | 111 | P1424 Y1428 V1450 Y1454 I1460 | P1424-Y1457 HydrophobicContact CB-CD2 3.78Å; P1424-Y1457 HydrophobicContact CB-CE2 3.69Å; P1424-Y1457 HydrophobicContact CG-CD2 4.37Å; P1424-Y1457 HydrophobicContact CG-CE2 4.11Å; Y1428-Y1457 HydrophobicContact CD2-CD1 4.42Å; Y1428-Y1457 AromaticContact CD2-CE1 3.71Å; Y1428-Y1457 HydrophobicContact CD2-CE1 3.71Å; Y1428-Y1457 AromaticContact CG-CE1 3.86Å; Y1428-Y1457 HydrophobicContact CG-CE1 3.86Å; V1450-Y1457 HydrophobicContact CG1-CD1 4.36Å; V1450-Y1457 HydrophobicContact CG1-CG 4.23Å; Y1454-Y1457 WeakPolarHBondContact O-CB 3.32Å; Y1454-Y1457 PolarHBondContact O-N 2.8Å; Y1454-Y1457 VanDerWaalsContact O-N 3.15Å; Y1457-I1460 HydrophobicContact CD1-CB 4.04Å; Y1457-I1460 HydrophobicContact CD1-CG2 4.16Å | ||
| 1458 | P | 75.3 | Confident | 81 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 57% | 0.571 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 150.9 | -172.4 | 26.5 | -33.6 | 0 | 0 | 0 | 111.5 | N1456 I1460 | N1456-P1458 WeakPolarHBondContact O-CD 3.1Å; P1458-I1460 PolarHBondContact O-N 3.26Å |
| 1459 | K | 75.4 | Confident | 80.9 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -28.5 | 173 | -56.2 | 178.4 | -177.1 | 178.6 | 0 | 116.8 | Y1428 Q1461 K1462 D1463 | Y1428-K1459 HydrophobicContact CE2-CB 4.12Å; K1459-Q1461 VanDerWaalsContact C-N 3.31Å; K1459-Q1461 PolarHBondContact O-N 3.49Å; K1459-K1462 PolarHBondContact O-N 3.48Å; K1459-D1463 WeakPolarHBondContact CB-OD2 3.46Å; K1459-D1463 WeakPolarHBondContact O-CA 3.26Å; K1459-D1463 VanDerWaalsContact O-CB 3.24Å; K1459-D1463 WeakPolarHBondContact O-CB 3.49Å; K1459-D1463 PolarHBondContact O-N 3.24Å |
| 1460 | I | 82.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | -174.5 | -160 | 160.6 | 0 | 0 | 0 | 113.7 | Y1428 V1450 L1451 Y1457 P1458 I1464 L1465 | Y1428-I1460 HydrophobicContact CD2-CB 4.06Å; Y1428-I1460 HydrophobicContact CD2-CD1 4.38Å; Y1428-I1460 HydrophobicContact CD2-CG1 4.19Å; V1450-I1460 HydrophobicContact CB-CD1 3.64Å; V1450-I1460 HydrophobicContact CG1-CD1 3.61Å; V1450-I1460 HydrophobicContact CG2-CD1 4.08Å; L1451-I1460 HydrophobicContact CD1-CG2 4.27Å; L1451-I1460 HydrophobicContact CD2-CG2 3.59Å; L1451-I1460 HydrophobicContact CG-CG2 3.85Å; Y1457-I1460 HydrophobicContact CD1-CB 4.04Å; Y1457-I1460 HydrophobicContact CD1-CG2 4.16Å; P1458-I1460 PolarHBondContact O-N 3.26Å; I1460-I1464 HydrophobicContact CG1-CD1 4.26Å; I1460-I1464 WeakPolarHBondContact O-CB 3.39Å; I1460-I1464 PolarHBondContact O-N 3.13Å; I1460-L1465 PolarHBondContact O-N 3.5Å |
| 1461 | Q | 79 | Confident | 80.6 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -66.6 | -56.2 | -179.8 | -167.1 | 172.8 | 6.6 | 0 | 0 | 111.5 | K1459 L1465 D1466 | K1459-Q1461 VanDerWaalsContact C-N 3.31Å; K1459-Q1461 PolarHBondContact O-N 3.49Å; Q1461-L1465 HydrophobicContact CG-CD2 4.47Å; Q1461-L1465 PolarHBondContact O-N 2.9Å; Q1461-D1466 VanDerWaalsContact O-CG 3.3Å; Q1461-D1466 PolarHBondContact O-N 2.87Å |
| 1462 | K | 80.7 | Confident | 80.4 | Confident | 166 Ų | 166 | 79.4 Ų | 79.4 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | I | π-helix | trans | -71.6 | -42 | -177.4 | -69 | -174.9 | 179.3 | 180 | 0 | 113.3 | K1459 | K1459-K1462 PolarHBondContact O-N 3.48Å |
| 1463 | D | 80.3 | Confident | 79.8 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -87.4 | -23.2 | -169.7 | -77.1 | -41.3 | 0 | 0 | 0 | 114.3 | K1459 K1467 | K1459-D1463 WeakPolarHBondContact CB-OD2 3.46Å; K1459-D1463 WeakPolarHBondContact O-CA 3.26Å; K1459-D1463 VanDerWaalsContact O-CB 3.24Å; K1459-D1463 WeakPolarHBondContact O-CB 3.49Å; K1459-D1463 PolarHBondContact O-N 3.24Å; D1463-K1467 VanDerWaalsContact O-CD 3.23Å; D1463-K1467 WeakPolarHBondContact O-CD 3.31Å; D1463-K1467 WeakPolarHBondContact O-CE 3.5Å; D1463-K1467 PolarHBondContact O-NZ 3.1Å; D1463-K1467 IonicContact OD1-NZ 3.85Å; D1463-K1467 PolarHBondContact OD1-NZ 3.48Å |
| 1464 | I | 82.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 44% | 0.438 | C | S | . | . | I | π-helix | trans | -124.3 | -62.5 | -173.4 | -55.5 | 171.2 | 0 | 0 | 0 | 110.9 | Y1428 A1431 L1435 A1443 I1460 D1466 K1467 A1468 | Y1428-I1464 HydrophobicContact CD2-CD1 3.6Å; Y1428-I1464 HydrophobicContact CE2-CD1 3.46Å; Y1428-I1464 VanDerWaalsContact CE2-CD1 3.46Å; Y1428-I1464 HydrophobicContact CE2-CG1 4.34Å; Y1428-I1464 HydrophobicContact CG-CD1 4.27Å; A1431-I1464 HydrophobicContact CB-CD1 4.18Å; A1431-I1464 HydrophobicContact CB-CG2 3.87Å; A1431-I1464 WeakPolarHBondContact O-CG2 3.46Å; L1435-I1464 HydrophobicContact CB-CG2 4.3Å; L1435-I1464 HydrophobicContact CD1-CB 4.35Å; L1435-I1464 HydrophobicContact CD1-CG2 4.01Å; L1435-I1464 WeakPolarHBondContact CD1-O 3.44Å; A1443-I1464 HydrophobicContact CB-CG2 4.31Å; I1460-I1464 HydrophobicContact CG1-CD1 4.26Å; I1460-I1464 WeakPolarHBondContact O-CB 3.39Å; I1460-I1464 PolarHBondContact O-N 3.13Å; I1464-D1466 PolarHBondContact O-N 3.36Å; I1464-K1467 PolarHBondContact O-N 2.99Å; I1464-A1468 VanDerWaalsContact O-CB 3.28Å; I1464-A1468 WeakPolarHBondContact O-CB 3.3Å; I1464-A1468 PolarHBondContact O-N 3.05Å |
| 1465 | L | 84.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 88.8 Ų | 88.8 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | I | π-helix | trans | -62.8 | -46.1 | -171.4 | -178.5 | 141.4 | 0 | 0 | 0 | 112.5 | L1448 L1451 I1460 Q1461 R1469 | L1448-L1465 HydrophobicContact CD2-CD1 3.94Å; L1448-L1465 HydrophobicContact CG-CD1 4.26Å; L1451-L1465 HydrophobicContact CD1-CD1 4.07Å; I1460-L1465 PolarHBondContact O-N 3.5Å; Q1461-L1465 HydrophobicContact CG-CD2 4.47Å; Q1461-L1465 PolarHBondContact O-N 2.9Å; L1465-R1469 VanDerWaalsContact CD2-CZ 3.48Å; L1465-R1469 WeakPolarHBondContact O-CB 3.43Å; L1465-R1469 VanDerWaalsContact O-CG 3.26Å; L1465-R1469 WeakPolarHBondContact O-CG 3.46Å; L1465-R1469 PolarHBondContact O-N 3.41Å |
| 1466 | D | 84.5 | Confident | 78.7 | Confident | 64 Ų | 64 | 88.6 Ų | 88.6 | 34% | 0.342 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.6 | -69.4 | -22.9 | 0 | 0 | 0 | 111.8 | Q1461 I1464 R1469 L1470 | Q1461-D1466 VanDerWaalsContact O-CG 3.3Å; Q1461-D1466 PolarHBondContact O-N 2.87Å; I1464-D1466 PolarHBondContact O-N 3.36Å; D1466-R1469 PolarHBondContact O-N 3.35Å; D1466-L1470 VanDerWaalsContact O-CG 3.27Å; D1466-L1470 WeakPolarHBondContact O-CG 3.47Å; D1466-L1470 PolarHBondContact O-N 3.02Å |
| 1467 | K | 84.4 | Confident | 78.8 | Confident | 91 Ų | 91 | 84.8 Ų | 84.8 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 178.5 | -66.9 | -173.1 | -158.3 | 147.5 | 0 | 112.6 | L1435 D1463 I1464 L1470 N1471 | L1435-K1467 HydrophobicContact CD1-CB 3.76Å; D1463-K1467 VanDerWaalsContact O-CD 3.23Å; D1463-K1467 WeakPolarHBondContact O-CD 3.31Å; D1463-K1467 WeakPolarHBondContact O-CE 3.5Å; D1463-K1467 PolarHBondContact O-NZ 3.1Å; D1463-K1467 IonicContact OD1-NZ 3.85Å; D1463-K1467 PolarHBondContact OD1-NZ 3.48Å; I1464-K1467 PolarHBondContact O-N 2.99Å; K1467-L1470 PolarHBondContact O-N 3.2Å; K1467-N1471 PolarHBondContact O-N 3.38Å; K1467-N1471 VanDerWaalsContact O-N 3.09Å; K1467-N1471 PolarHBondContact O-ND2 2.89Å |
| 1468 | A | 84.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1435 Y1440 A1443 I1444 I1464 N1471 L1472 | L1435-A1468 HydrophobicContact CD1-CB 4.39Å; Y1440-A1468 HydrophobicContact CD1-CB 4.49Å; A1443-A1468 HydrophobicContact CB-CB 4.14Å; I1444-A1468 HydrophobicContact CD1-CB 4.37Å; I1444-A1468 HydrophobicContact CG1-CB 3.9Å; I1464-A1468 VanDerWaalsContact O-CB 3.28Å; I1464-A1468 WeakPolarHBondContact O-CB 3.3Å; I1464-A1468 PolarHBondContact O-N 3.05Å; A1468-N1471 PolarHBondContact O-N 3.07Å; A1468-L1472 PolarHBondContact O-N 2.74Å; A1468-L1472 VanDerWaalsContact O-N 3.07Å |
| 1469 | R | 84.8 | Confident | 79.2 | Confident | 114 Ų | 114 | 86.6 Ų | 86.6 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 174.1 | -76.6 | 174.7 | 174.3 | -175.9 | -1.4 | 112.7 | I1444 L1465 D1466 | I1444-R1469 HydrophobicContact CD1-CG 3.89Å; I1444-R1469 HydrophobicContact CG1-CG 4.33Å; L1465-R1469 VanDerWaalsContact CD2-CZ 3.48Å; L1465-R1469 WeakPolarHBondContact O-CB 3.43Å; L1465-R1469 VanDerWaalsContact O-CG 3.26Å; L1465-R1469 WeakPolarHBondContact O-CG 3.46Å; L1465-R1469 PolarHBondContact O-N 3.41Å; D1466-R1469 PolarHBondContact O-N 3.35Å |
| 1470 | L | 83.6 | Confident | 79.4 | Confident | 110 Ų | 110 | 83.9 Ų | 83.9 | 58% | 0.576 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 175.8 | -75.1 | 168.2 | 0 | 0 | 0 | 111.4 | D1466 K1467 L1472 R1473 | D1466-L1470 VanDerWaalsContact O-CG 3.27Å; D1466-L1470 WeakPolarHBondContact O-CG 3.47Å; D1466-L1470 PolarHBondContact O-N 3.02Å; K1467-L1470 PolarHBondContact O-N 3.2Å; L1470-L1472 VanDerWaalsContact C-N 3.33Å; L1470-L1472 PolarHBondContact O-N 3.43Å; L1470-R1473 PolarHBondContact O-N 3.27Å |
| 1471 | N | 79.6 | Confident | 79.2 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 34% | 0.342 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.1 | -17.3 | -179 | -68.5 | -27.6 | 0 | 0 | 0 | 114.7 | Y1440 K1467 A1468 R1473 | Y1440-N1471 HydrophobicContact CD1-CB 3.91Å; Y1440-N1471 HydrophobicContact CD2-CB 4.13Å; Y1440-N1471 HydrophobicContact CE1-CB 3.53Å; Y1440-N1471 HydrophobicContact CE2-CB 3.76Å; Y1440-N1471 HydrophobicContact CG-CB 4.2Å; Y1440-N1471 VanDerWaalsContact CZ-CB 3.44Å; K1467-N1471 PolarHBondContact O-N 3.38Å; K1467-N1471 VanDerWaalsContact O-N 3.09Å; K1467-N1471 PolarHBondContact O-ND2 2.89Å; A1468-N1471 PolarHBondContact O-N 3.07Å; N1471-R1473 VanDerWaalsContact C-N 3.34Å |
| 1472 | L | 78.4 | Confident | 79.2 | Confident | 81 Ų | 81 | 88.1 Ų | 88.1 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.9 | -19.5 | 172 | -117.4 | 152.5 | 0 | 0 | 0 | 112.7 | Y1440 L1441 I1444 A1468 L1470 | Y1440-L1472 HydrophobicContact CD2-CG 4.46Å; L1441-L1472 HydrophobicContact CG-CD1 4.31Å; I1444-L1472 HydrophobicContact CD1-CD1 3.45Å; I1444-L1472 VanDerWaalsContact CD1-CD1 3.45Å; A1468-L1472 PolarHBondContact O-N 2.74Å; A1468-L1472 VanDerWaalsContact O-N 3.07Å; L1470-L1472 VanDerWaalsContact C-N 3.33Å; L1470-L1472 PolarHBondContact O-N 3.43Å |
| 1473 | R | 68.6 | Low | 79.1 | Confident | 220 Ų | 220 | 81.6 Ų | 81.6 | 83% | 0.83 | 39% | 0.393 | S | S | * | . | trans | -88.9 | -8.6 | 176.7 | -70.8 | 179.6 | 177.1 | -179 | -0.3 | 112.9 | L1470 N1471 | L1470-R1473 PolarHBondContact O-N 3.27Å; N1471-R1473 VanDerWaalsContact C-N 3.34Å | ||
| 1474 | V | 53.4 | Low | 79 | Confident | 172 Ų | 172 | 83.6 Ų | 83.6 | 100% | 1.042 | 40% | 0.4 | S | S | * | . | trans | -99.6 | 0 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 1,474 of 1,474 residues in 1468.3 ms
(Link to these results)