| 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 | 39.7 | Very low | 35.6 | Very low | 46 Ų | 46 | 27.5 Ų | 27.5 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | 0 | -48.7 | 0 | -144.9 | -175.4 | -47.8 | 0 | 0 | 110.3 | L3 R4 S5 L81 L119 V124 | M1-L3 PolarHBondContact O-N 3.02Å; M1-R4 PolarHBondContact O-N 3.26Å; M1-S5 PolarHBondContact O-N 2.6Å; M1-S5 PolarHBondContact O-OG 3.19Å; M1-L81 HydrophobicContact CE-CD1 3.6Å; M1-L81 HydrophobicContact SD-CB 4.44Å; M1-L81 HydrophobicContact SD-CD1 3.76Å; M1-L119 HydrophobicContact CG-CD2 3.5Å; M1-L119 HydrophobicContact SD-CD2 3.55Å; M1-L119 VanDerWaalsContact SD-CD2 3.55Å; M1-V124 HydrophobicContact CE-CG2 3.31Å | |||
| 2 | E | 33.3 | Very low | 35.4 | Very low | 67 Ų | 67 | 26 Ų | 26 | 31% | 0.313 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -49.3 | -56 | -174.6 | -70.3 | 172.4 | 146.2 | 0 | 0 | 113.8 | R4 H6 I229 | E2-R4 PolarHBondContact O-N 3.03Å; E2-H6 WeakPolarHBondContact O-CB 3.22Å; E2-H6 PolarHBondContact O-CD2 3.15Å; E2-H6 PolarHBondContact O-N 3.04Å; E2-I229 HydrophobicContact CG-CG1 4.2Å; E2-I229 HydrophobicContact CG-CG2 3.85Å; E2-I229 VanDerWaalsContact OE1-CG1 3.27Å; E2-I229 WeakPolarHBondContact OE1-CG1 3.45Å |
| 3 | L | 29.1 | Very low | 35.7 | Very low | 35 Ų | 35 | 24.5 Ų | 24.5 | 18% | 0.183 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.7 | -37 | -173.4 | -115.4 | 94.7 | 0 | 0 | 0 | 114.9 | M1 H6 V7 V46 V155 | M1-L3 PolarHBondContact O-N 3.02Å; L3-H6 PolarHBondContact O-N 3.01Å; L3-V7 WeakPolarHBondContact O-CB 3.39Å; L3-V7 VanDerWaalsContact O-CG2 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.37Å; L3-V7 PolarHBondContact O-N 2.91Å; L3-V46 HydrophobicContact CB-CG2 4.47Å; L3-V155 HydrophobicContact CD1-CG1 3.81Å |
| 4 | R | 34.5 | Very low | 35.9 | Very low | 31 Ų | 31 | 24 Ų | 24 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.5 | -50.3 | 179.9 | -127.3 | 171.3 | -160.1 | 161.3 | 9.9 | 110.1 | M1 E2 H6 F8 K43 V46 D47 E120 | M1-R4 PolarHBondContact O-N 3.26Å; E2-R4 PolarHBondContact O-N 3.03Å; R4-H6 VanDerWaalsContact C-N 3.29Å; R4-H6 PolarHBondContact O-N 3.48Å; R4-F8 WeakPolarHBondContact O-CB 3.38Å; R4-F8 PolarHBondContact O-N 3.16Å; R4-K43 PolarHBondContact NH2-O 3.45Å; R4-V46 HydrophobicContact CB-CB 4.49Å; R4-V46 HydrophobicContact CB-CG1 3.6Å; R4-V46 HydrophobicContact CB-CG2 4.43Å; R4-V46 HydrophobicContact CG-CB 3.92Å; R4-V46 HydrophobicContact CG-CG1 3.42Å; R4-V46 VanDerWaalsContact CG-CG1 3.42Å; R4-V46 HydrophobicContact CG-CG2 3.99Å; R4-D47 IonicContact CZ-OD1 2.94Å; R4-D47 VanDerWaalsContact CZ-OD1 3.29Å; R4-D47 IonicContact NH1-OD1 2.86Å; R4-D47 PolarHBondContact NH1-OD1 2.95Å; R4-D47 VanDerWaalsContact NH2-CG 3.25Å; R4-D47 IonicContact NH2-OD1 2.7Å; R4-D47 PolarHBondContact NH2-OD1 2.84Å; R4-D47 IonicContact NH2-OD2 2.69Å; R4-D47 PolarHBondContact NH2-OD2 3.41Å; R4-E120 IonicContact NH1-OE1 3.24Å; R4-E120 PolarHBondContact NH1-OE1 3.37Å |
| 5 | S | 37 | Very low | 35.6 | Very low | 23 Ų | 23 | 25 Ų | 25 | 16% | 0.161 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.8 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | M1 V9 | M1-S5 PolarHBondContact O-N 2.6Å; M1-S5 PolarHBondContact O-OG 3.19Å; S5-V9 WeakPolarHBondContact O-CB 3.43Å; S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 2.79Å |
| 6 | H | 39.1 | Very low | 35.4 | Very low | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -57.2 | -179.8 | -95.9 | -54.1 | 0 | 0 | 0 | 114.8 | E2 L3 R4 F8 V9 T10 L233 I236 | E2-H6 WeakPolarHBondContact O-CB 3.22Å; E2-H6 PolarHBondContact O-CD2 3.15Å; E2-H6 PolarHBondContact O-N 3.04Å; L3-H6 PolarHBondContact O-N 3.01Å; R4-H6 VanDerWaalsContact C-N 3.29Å; R4-H6 PolarHBondContact O-N 3.48Å; H6-F8 VanDerWaalsContact C-N 3.27Å; H6-V9 PolarHBondContact O-N 3.11Å; H6-T10 PolarHBondContact O-N 3.16Å; H6-T10 PolarHBondContact O-OG1 2.96Å; H6-T10 VanDerWaalsContact O-OG1 3.08Å; H6-L233 VanDerWaalsContact CD2-CD2 3.49Å; H6-L233 WeakPolarHBondContact CD2-CD2 3.34Å; H6-L233 WeakPolarHBondContact CE1-CA 3.32Å; H6-L233 VanDerWaalsContact CE1-CD2 3.41Å; H6-L233 WeakPolarHBondContact CE1-CD2 3.41Å; H6-L233 PolarHBondContact CE1-O 3.05Å; H6-L233 VanDerWaalsContact CE1-O 3.28Å; H6-L233 WeakPolarHBondContact NE2-CA 3.06Å; H6-L233 WeakPolarHBondContact NE2-CD2 3.5Å; H6-I236 WeakPolarHBondContact CE1-CB 3.4Å; H6-I236 VanDerWaalsContact CE1-CG2 3.44Å; H6-I236 WeakPolarHBondContact CE1-CG2 3.13Å; H6-I236 VanDerWaalsContact ND1-CG2 3.33Å; H6-I236 WeakPolarHBondContact ND1-CG2 3.44Å; H6-I236 VanDerWaalsContact NE2-CD1 3.28Å; H6-I236 WeakPolarHBondContact NE2-CD1 3.35Å |
| 7 | V | 34.3 | Very low | 35.5 | Very low | 17 Ų | 17 | 22.6 Ų | 22.6 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.4 | -37.4 | -173.5 | 172.9 | 0 | 0 | 0 | 0 | 108.1 | L3 T10 T11 I41 | L3-V7 WeakPolarHBondContact O-CB 3.39Å; L3-V7 VanDerWaalsContact O-CG2 3.28Å; L3-V7 WeakPolarHBondContact O-CG2 3.37Å; L3-V7 PolarHBondContact O-N 2.91Å; V7-T10 PolarHBondContact O-N 3.27Å; V7-T11 WeakPolarHBondContact O-CB 3.5Å; V7-T11 PolarHBondContact O-N 3.18Å; V7-T11 PolarHBondContact O-OG1 3.25Å; V7-I41 HydrophobicContact CB-CB 4.41Å; V7-I41 HydrophobicContact CB-CD1 3.81Å; V7-I41 HydrophobicContact CB-CG2 4.08Å; V7-I41 HydrophobicContact CG1-CB 3.68Å; V7-I41 HydrophobicContact CG1-CD1 3.4Å; V7-I41 HydrophobicContact CG1-CG1 3.82Å; V7-I41 HydrophobicContact CG1-CG2 3.88Å; V7-I41 HydrophobicContact CG2-CB 4.43Å; V7-I41 HydrophobicContact CG2-CD1 3.14Å; V7-I41 HydrophobicContact CG2-CG1 4.22Å; V7-I41 HydrophobicContact CG2-CG2 3.95Å |
| 8 | F | 36.1 | Very low | 35.4 | Very low | 39 Ų | 39 | 21.8 Ų | 21.8 | 17% | 0.171 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 175.8 | -164.7 | -99.4 | 0 | 0 | 0 | 112.1 | R4 H6 T11 V12 Y114 F115 | R4-F8 WeakPolarHBondContact O-CB 3.38Å; R4-F8 PolarHBondContact O-N 3.16Å; H6-F8 VanDerWaalsContact C-N 3.27Å; F8-T11 PolarHBondContact O-N 2.97Å; F8-V12 HydrophobicContact CD1-CG2 3.64Å; F8-V12 HydrophobicContact CD2-CG2 4.5Å; F8-V12 HydrophobicContact CE1-CB 4.41Å; F8-V12 HydrophobicContact CE1-CG2 3.1Å; F8-V12 HydrophobicContact CE2-CG2 4.06Å; F8-V12 HydrophobicContact CG-CG2 4.29Å; F8-V12 HydrophobicContact CZ-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CA 3.44Å; F8-V12 WeakPolarHBondContact O-CB 3.48Å; F8-V12 VanDerWaalsContact O-CG2 3.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.16Å; F8-V12 PolarHBondContact O-N 2.88Å; F8-Y114 HydrophobicContact CD1-CD1 4.05Å; F8-Y114 AromaticContact CD2-CD1 3.42Å; F8-Y114 HydrophobicContact CD2-CD1 3.42Å; F8-Y114 VanDerWaalsContact CD2-CD1 3.42Å; F8-Y114 AromaticContact CD2-CE1 3.61Å; F8-Y114 HydrophobicContact CD2-CE1 3.61Å; F8-Y114 HydrophobicContact CD2-CG 4.13Å; F8-Y114 AromaticContact CE1-CD1 3.78Å; F8-Y114 HydrophobicContact CE1-CD1 3.78Å; F8-Y114 AromaticContact CE1-CG 3.84Å; F8-Y114 HydrophobicContact CE1-CG 3.84Å; F8-Y114 AromaticContact CE2-CD1 3.13Å; F8-Y114 HydrophobicContact CE2-CD1 3.13Å; F8-Y114 AromaticContact CE2-CD2 3.92Å; F8-Y114 HydrophobicContact CE2-CD2 3.92Å; F8-Y114 AromaticContact CE2-CE1 3.53Å; F8-Y114 HydrophobicContact CE2-CE1 3.53Å; F8-Y114 HydrophobicContact CE2-CE2 4.26Å; F8-Y114 AromaticContact CE2-CG 3.35Å; F8-Y114 HydrophobicContact CE2-CG 3.35Å; F8-Y114 AromaticContact CG-CD1 3.89Å; F8-Y114 HydrophobicContact CG-CD1 3.89Å; F8-Y114 HydrophobicContact CG-CE1 4.36Å; F8-Y114 AromaticContact CZ-CD1 3.35Å; F8-Y114 HydrophobicContact CZ-CD1 3.35Å; F8-Y114 AromaticContact CZ-CD2 3.97Å; F8-Y114 HydrophobicContact CZ-CD2 3.97Å; F8-Y114 HydrophobicContact CZ-CE1 4.22Å; F8-Y114 AromaticContact CZ-CG 3.2Å; F8-Y114 HydrophobicContact CZ-CG 3.2Å; F8-F115 HydrophobicContact CD1-CD2 4.24Å; F8-F115 HydrophobicContact CD1-CE2 4.22Å; F8-F115 HydrophobicContact CE1-CD2 4.28Å |
| 9 | V | 37.6 | Very low | 35.3 | Very low | 16 Ų | 16 | 21.8 Ų | 21.8 | 10% | 0.097 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -52.3 | 170.2 | 165.8 | 0 | 0 | 0 | 0 | 109.6 | S5 H6 T11 V12 L13 F115 I237 | S5-V9 WeakPolarHBondContact O-CB 3.43Å; S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 2.79Å; H6-V9 PolarHBondContact O-N 3.11Å; V9-T11 PolarHBondContact O-N 2.65Å; V9-V12 PolarHBondContact O-N 3.22Å; V9-L13 HydrophobicContact CG1-CD1 3.38Å; V9-L13 HydrophobicContact CG1-CG 4.09Å; V9-L13 WeakPolarHBondContact O-CB 3.18Å; V9-L13 WeakPolarHBondContact O-CD1 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.01Å; V9-L13 PolarHBondContact O-N 3.11Å; V9-F115 HydrophobicContact CG2-CE1 4.35Å; V9-F115 HydrophobicContact CG2-CE2 4.17Å; V9-F115 HydrophobicContact CG2-CZ 3.43Å; V9-F115 VanDerWaalsContact CG2-CZ 3.43Å; V9-I237 HydrophobicContact CG1-CD1 3.92Å; V9-I237 HydrophobicContact CG1-CG1 3.95Å |
| 10 | T | 37.4 | Very low | 35.3 | Very low | 11 Ų | 11 | 21.2 Ų | 21.2 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.4 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | H6 V7 L13 L14 D240 | H6-T10 PolarHBondContact O-N 3.16Å; H6-T10 PolarHBondContact O-OG1 2.96Å; H6-T10 VanDerWaalsContact O-OG1 3.08Å; V7-T10 PolarHBondContact O-N 3.27Å; T10-L13 PolarHBondContact O-N 3.07Å; T10-L14 HydrophobicContact CG2-CD1 3.8Å; T10-L14 HydrophobicContact CG2-CG 4.47Å; T10-L14 VanDerWaalsContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CB 3.32Å; T10-L14 WeakPolarHBondContact O-CD1 3.03Å; T10-L14 WeakPolarHBondContact O-CG 3.31Å; T10-L14 PolarHBondContact O-N 3.33Å; T10-D240 HydrophobicContact CG2-CB 4.08Å; T10-D240 PolarHBondContact OG1-OD2 3.33Å; T10-D240 VanDerWaalsContact OG1-OD2 3.06Å |
| 11 | T | 33.9 | Very low | 35.3 | Very low | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | V7 F8 V9 A15 L34 E38 | V7-T11 WeakPolarHBondContact O-CB 3.5Å; V7-T11 PolarHBondContact O-N 3.18Å; V7-T11 PolarHBondContact O-OG1 3.25Å; F8-T11 PolarHBondContact O-N 2.97Å; V9-T11 PolarHBondContact O-N 2.65Å; T11-A15 WeakPolarHBondContact O-CB 3.43Å; T11-A15 PolarHBondContact O-N 3.28Å; T11-L34 HydrophobicContact CG2-CD2 3.71Å; T11-L34 WeakPolarHBondContact O-CD2 3.11Å; T11-E38 HydrophobicContact CG2-CG 3.93Å |
| 12 | V | 33.3 | Very low | 35.2 | Very low | 10 Ų | 10 | 23.1 Ų | 23.1 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 173.3 | 156.2 | 0 | 0 | 0 | 0 | 110.9 | F8 V9 A15 T16 L93 A111 | F8-V12 HydrophobicContact CD1-CG2 3.64Å; F8-V12 HydrophobicContact CD2-CG2 4.5Å; F8-V12 HydrophobicContact CE1-CB 4.41Å; F8-V12 HydrophobicContact CE1-CG2 3.1Å; F8-V12 HydrophobicContact CE2-CG2 4.06Å; F8-V12 HydrophobicContact CG-CG2 4.29Å; F8-V12 HydrophobicContact CZ-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CA 3.44Å; F8-V12 WeakPolarHBondContact O-CB 3.48Å; F8-V12 VanDerWaalsContact O-CG2 3.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.16Å; F8-V12 PolarHBondContact O-N 2.88Å; V9-V12 PolarHBondContact O-N 3.22Å; V12-A15 PolarHBondContact O-N 3.39Å; V12-T16 WeakPolarHBondContact O-CB 3.18Å; V12-T16 PolarHBondContact O-N 2.03Å; V12-T16 PolarHBondContact O-OG1 3.33Å; V12-L93 HydrophobicContact CG1-CD1 4.44Å; V12-L93 HydrophobicContact CG1-CD2 3.94Å; V12-A111 HydrophobicContact CB-CB 4.09Å; V12-A111 HydrophobicContact CG1-CB 3.3Å; V12-A111 HydrophobicContact CG2-CB 3.58Å |
| 13 | L | 38.5 | Very low | 35.6 | Very low | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -52.7 | 178.7 | -75.6 | 167.8 | 0 | 0 | 0 | 109.1 | V9 T10 A15 T16 I17 V92 L96 | V9-L13 HydrophobicContact CG1-CD1 3.38Å; V9-L13 HydrophobicContact CG1-CG 4.09Å; V9-L13 WeakPolarHBondContact O-CB 3.18Å; V9-L13 WeakPolarHBondContact O-CD1 3.4Å; V9-L13 WeakPolarHBondContact O-CG 3.01Å; V9-L13 PolarHBondContact O-N 3.11Å; T10-L13 PolarHBondContact O-N 3.07Å; L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 2.72Å; L13-T16 PolarHBondContact O-N 3.42Å; L13-I17 VanDerWaalsContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CD1 3.49Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.3Å; L13-V92 HydrophobicContact CD1-CG1 4.31Å; L13-V92 HydrophobicContact CD2-CB 3.7Å; L13-V92 HydrophobicContact CD2-CG1 3.13Å; L13-V92 HydrophobicContact CG-CG1 4.36Å; L13-L96 HydrophobicContact CB-CD1 4.41Å; L13-L96 HydrophobicContact CD2-CD1 3.31Å; L13-L96 HydrophobicContact CG-CD1 4.47Å |
| 14 | L | 38.6 | Very low | 36.8 | Very low | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -30.7 | 177.2 | -67.5 | 165.2 | 0 | 0 | 0 | 112.2 | T10 I17 S18 F30 Y33 L34 L37 | T10-L14 HydrophobicContact CG2-CD1 3.8Å; T10-L14 HydrophobicContact CG2-CG 4.47Å; T10-L14 VanDerWaalsContact O-CB 3.29Å; T10-L14 WeakPolarHBondContact O-CB 3.32Å; T10-L14 WeakPolarHBondContact O-CD1 3.03Å; T10-L14 WeakPolarHBondContact O-CG 3.31Å; T10-L14 PolarHBondContact O-N 3.33Å; L14-I17 HydrophobicContact CD2-CD1 4.39Å; L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.32Å; L14-S18 PolarHBondContact O-N 2.87Å; L14-F30 HydrophobicContact CD2-CD1 3.72Å; L14-F30 HydrophobicContact CD2-CE1 3.92Å; L14-Y33 HydrophobicContact CD1-CD1 3.51Å; L14-Y33 HydrophobicContact CD1-CE1 3.31Å; L14-Y33 HydrophobicContact CD2-CD1 3.91Å; L14-Y33 HydrophobicContact CD2-CE1 4.07Å; L14-Y33 HydrophobicContact CG-CD1 4.28Å; L14-Y33 HydrophobicContact CG-CE1 4.33Å; L14-L34 HydrophobicContact CB-CD2 3.54Å; L14-L34 HydrophobicContact CB-CG 3.99Å; L14-L37 HydrophobicContact CD1-CD1 3.25Å |
| 15 | A | 31.6 | Very low | 38.1 | Very low | 39 Ų | 39 | 29.9 Ų | 29.9 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.8 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T11 V12 L13 S18 S19 L34 | T11-A15 WeakPolarHBondContact O-CB 3.43Å; T11-A15 PolarHBondContact O-N 3.28Å; V12-A15 PolarHBondContact O-N 3.39Å; L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 2.72Å; A15-S18 WeakPolarHBondContact O-CB 3.46Å; A15-S18 PolarHBondContact O-N 3.26Å; A15-S19 PolarHBondContact O-N 2.74Å; A15-S19 PolarHBondContact O-OG 3.5Å; A15-L34 HydrophobicContact CB-CD1 3.72Å; A15-L34 HydrophobicContact CB-CD2 3.79Å; A15-L34 HydrophobicContact CB-CG 4.36Å; A15-L34 VanDerWaalsContact N-CD2 3.32Å |
| 16 | T | 33.2 | Very low | 39.1 | Very low | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 175.8 | -47.6 | 0 | 0 | 0 | 0 | 109.7 | V12 L13 S18 S19 T20 L93 | V12-T16 WeakPolarHBondContact O-CB 3.18Å; V12-T16 PolarHBondContact O-N 2.03Å; V12-T16 PolarHBondContact O-OG1 3.33Å; L13-T16 PolarHBondContact O-N 3.42Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 2.9Å; T16-S19 PolarHBondContact O-N 3.03Å; T16-S19 PolarHBondContact O-OG 3.19Å; T16-T20 WeakPolarHBondContact O-CB 3.34Å; T16-T20 VanDerWaalsContact O-CG2 3.31Å; T16-T20 WeakPolarHBondContact O-CG2 3.01Å; T16-T20 PolarHBondContact O-N 3.34Å; T16-T20 PolarHBondContact O-OG1 3.07Å; T16-L93 HydrophobicContact CG2-CD2 3.61Å; T16-L93 WeakPolarHBondContact OG1-CD2 3.44Å |
| 17 | I | 35.7 | Very low | 40.2 | Very low | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 171.4 | -69.6 | 160.4 | 0 | 0 | 0 | 109.8 | L13 L14 S19 T20 I21 F30 L96 L192 | L13-I17 VanDerWaalsContact O-CB 3.32Å; L13-I17 WeakPolarHBondContact O-CB 3.35Å; L13-I17 VanDerWaalsContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CD1 3.49Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.3Å; L14-I17 HydrophobicContact CD2-CD1 4.39Å; I17-S19 VanDerWaalsContact C-N 3.34Å; I17-S19 PolarHBondContact O-N 3.28Å; I17-T20 PolarHBondContact O-N 3.06Å; I17-I21 HydrophobicContact CG2-CD1 3.39Å; I17-I21 HydrophobicContact CG2-CG1 4.03Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.02Å; I17-I21 PolarHBondContact O-N 3.44Å; I17-I21 VanDerWaalsContact O-N 3.16Å; I17-F30 HydrophobicContact CB-CD1 4.41Å; I17-F30 HydrophobicContact CG2-CB 4.45Å; I17-F30 HydrophobicContact CG2-CD1 3.65Å; I17-F30 HydrophobicContact CG2-CD2 3.72Å; I17-F30 HydrophobicContact CG2-CE1 3.68Å; I17-F30 HydrophobicContact CG2-CE2 3.75Å; I17-F30 HydrophobicContact CG2-CG 3.67Å; I17-F30 HydrophobicContact CG2-CZ 3.73Å; I17-L96 HydrophobicContact CD1-CD1 4.01Å; I17-L96 HydrophobicContact CD1-CD2 4.15Å; I17-L96 HydrophobicContact CG1-CD1 3.9Å; I17-L96 HydrophobicContact CG1-CD2 4.14Å; I17-L96 HydrophobicContact CG1-CG 4.46Å; I17-L192 HydrophobicContact CB-CD1 4.42Å; I17-L192 HydrophobicContact CD1-CD1 3.88Å; I17-L192 HydrophobicContact CG1-CD1 3.94Å; I17-L192 HydrophobicContact CG1-CD2 4.41Å; I17-L192 HydrophobicContact CG2-CD1 3.53Å |
| 18 | S | 34.7 | Very low | 41.7 | Very low | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | L14 A15 T16 T20 K27 K31 | L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.32Å; L14-S18 PolarHBondContact O-N 2.87Å; A15-S18 WeakPolarHBondContact O-CB 3.46Å; A15-S18 PolarHBondContact O-N 3.26Å; T16-S18 VanDerWaalsContact C-N 3.34Å; T16-S18 PolarHBondContact O-N 2.9Å; S18-T20 VanDerWaalsContact C-N 3.3Å; S18-T20 PolarHBondContact O-N 3.48Å; S18-K27 VanDerWaalsContact O-CD 3.22Å; S18-K27 WeakPolarHBondContact O-CD 3.28Å; S18-K27 WeakPolarHBondContact O-CE 3.38Å; S18-K27 WeakPolarHBondContact O-CG 3.09Å; S18-K27 PolarHBondContact OG-O 2.87Å; S18-K31 VanDerWaalsContact OG-CA 3.31Å; S18-K31 WeakPolarHBondContact OG-CA 3.31Å; S18-K31 WeakPolarHBondContact OG-CB 3.26Å; S18-K31 PolarHBondContact OG-N 2.03Å; S18-K31 VanDerWaalsContact OG-N 3.1Å |
| 19 | S | 32.3 | Very low | 43.1 | Very low | 23 Ų | 23 | 33.7 Ų | 33.7 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.6 | -22.6 | -175.9 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | A15 T16 I17 K27 E107 | A15-S19 PolarHBondContact O-N 2.74Å; A15-S19 PolarHBondContact O-OG 3.5Å; T16-S19 PolarHBondContact O-N 3.03Å; T16-S19 PolarHBondContact O-OG 3.19Å; I17-S19 VanDerWaalsContact C-N 3.34Å; I17-S19 PolarHBondContact O-N 3.28Å; S19-K27 PolarHBondContact O-NZ 3.41Å; S19-E107 WeakPolarHBondContact CB-OE1 3.28Å; S19-E107 WeakPolarHBondContact CB-OE2 3.41Å; S19-E107 PolarHBondContact OG-OE2 3.08Å |
| 20 | T | 36.4 | Very low | 44.3 | Very low | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -121.5 | -13.5 | -159.3 | 66 | 0 | 0 | 0 | 0 | 114.8 | T16 I17 S18 P22 A100 C103 | T16-T20 WeakPolarHBondContact O-CB 3.34Å; T16-T20 VanDerWaalsContact O-CG2 3.31Å; T16-T20 WeakPolarHBondContact O-CG2 3.01Å; T16-T20 PolarHBondContact O-N 3.34Å; T16-T20 PolarHBondContact O-OG1 3.07Å; I17-T20 PolarHBondContact O-N 3.06Å; S18-T20 VanDerWaalsContact C-N 3.3Å; S18-T20 PolarHBondContact O-N 3.48Å; T20-P22 WeakPolarHBondContact O-CD 3.34Å; T20-A100 WeakPolarHBondContact O-CB 3.31Å; T20-A100 WeakPolarHBondContact OG1-CB 3.1Å; T20-C103 VanDerWaalsContact CB-SG 3.5Å; T20-C103 HydrophobicContact CG2-CB 3.83Å; T20-C103 WeakPolarHBondContact CG2-SG 3.16Å; T20-C103 PolarHBondContact OG1-SG 2.87Å |
| 21 | I | 34.5 | Very low | 45.6 | Very low | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | trans | -56 | 118.2 | 169.8 | -70.5 | 162.9 | 0 | 0 | 0 | 109.1 | I17 C23 F30 | I17-I21 HydrophobicContact CG2-CD1 3.39Å; I17-I21 HydrophobicContact CG2-CG1 4.03Å; I17-I21 VanDerWaalsContact O-CG1 3.31Å; I17-I21 WeakPolarHBondContact O-CG1 3.02Å; I17-I21 PolarHBondContact O-N 3.44Å; I17-I21 VanDerWaalsContact O-N 3.16Å; I21-C23 HydrophobicContact CG2-CB 3.66Å; I21-C23 PolarHBondContact O-N 3.3Å; I21-F30 HydrophobicContact CD1-CD2 3.31Å; I21-F30 HydrophobicContact CD1-CE2 3.19Å; I21-F30 HydrophobicContact CD1-CG 4.37Å; I21-F30 HydrophobicContact CD1-CZ 4.17Å | ||
| 22 | P | 38 | Very low | 47.2 | Very low | 91 Ų | 91 | 38.2 Ų | 38.2 | 59% | 0.591 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -81.2 | 63.3 | 174.6 | 33 | -27.9 | 0 | 0 | 0 | 107.7 | T20 A100 | T20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-A100 VanDerWaalsContact CD-O 3.31Å; P22-A100 WeakPolarHBondContact CD-O 3.41Å |
| 23 | C | 42.2 | Very low | 48.7 | Very low | 50 Ų | 50 | 38.1 Ų | 38.1 | 34% | 0.338 | 21% | 0.209 | S | C | . | . | trans | -149.7 | 115.9 | 169.9 | -78.2 | 0 | 0 | 0 | 0 | 106.2 | I21 T25 S26 | I21-C23 HydrophobicContact CG2-CB 3.66Å; I21-C23 PolarHBondContact O-N 3.3Å; C23-T25 VanDerWaalsContact CB-OG1 3.29Å; C23-T25 WeakPolarHBondContact CB-OG1 3.47Å; C23-T25 PolarHBondContact O-N 2.99Å; C23-S26 PolarHBondContact O-N 3.31Å | ||
| 24 | E | 53.4 | Low | 49.7 | Very low | 191 Ų | 191 | 38.5 Ų | 38.5 | 89% | 0.893 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -14.3 | 169.5 | -68.1 | -167.4 | 151.8 | 0 | 0 | 112.3 | P28 | E24-P28 WeakPolarHBondContact O-CD 3.25Š|
| 25 | T | 62.4 | Low | 50.9 | Low | 34 Ų | 34 | 43.1 Ų | 43.1 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -48.1 | -175.2 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | C23 N181 | C23-T25 VanDerWaalsContact CB-OG1 3.29Å; C23-T25 WeakPolarHBondContact CB-OG1 3.47Å; C23-T25 PolarHBondContact O-N 2.99Å; T25-N181 VanDerWaalsContact CB-CG 3.45Å; T25-N181 WeakPolarHBondContact CB-OD1 3.48Å; T25-N181 HydrophobicContact CG2-CB 4.33Å; T25-N181 VanDerWaalsContact CG2-CG 3.45Å; T25-N181 WeakPolarHBondContact CG2-OD1 3.45Å |
| 26 | S | 58.9 | Low | 52.5 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -25.5 | -173.2 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | C23 P28 Y29 F30 D188 | C23-S26 PolarHBondContact O-N 3.31Å; S26-P28 VanDerWaalsContact C-CD 3.44Å; S26-Y29 VanDerWaalsContact O-CB 3.31Å; S26-Y29 WeakPolarHBondContact O-CB 3.49Å; S26-Y29 PolarHBondContact O-N 3.22Å; S26-F30 WeakPolarHBondContact O-CD2 3.34Å; S26-F30 PolarHBondContact O-N 3.43Å; S26-D188 VanDerWaalsContact CB-OD2 3.27Å; S26-D188 WeakPolarHBondContact CB-OD2 3.4Å; S26-D188 PolarHBondContact OG-OD2 3.19Å |
| 27 | K | 61.3 | Low | 53.7 | Low | 91 Ų | 91 | 43.7 Ų | 43.7 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -51.3 | -43.5 | -179.9 | 170.9 | 155.2 | -167.2 | 166.3 | 0 | 114.4 | S18 S19 Y29 K31 | S18-K27 VanDerWaalsContact O-CD 3.22Å; S18-K27 WeakPolarHBondContact O-CD 3.28Å; S18-K27 WeakPolarHBondContact O-CE 3.38Å; S18-K27 WeakPolarHBondContact O-CG 3.09Å; S18-K27 PolarHBondContact OG-O 2.87Å; S19-K27 PolarHBondContact O-NZ 3.41Å; K27-Y29 VanDerWaalsContact C-N 3.34Å; K27-Y29 PolarHBondContact O-N 3.21Å; K27-K31 WeakPolarHBondContact O-CB 3.31Å; K27-K31 PolarHBondContact O-N 2.96Å |
| 28 | P | 65.1 | Low | 54.6 | Low | 72 Ų | 72 | 49.6 Ų | 49.6 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 177 | -23 | 34.7 | 0 | 0 | 0 | 113.8 | E24 S26 K31 C32 | E24-P28 WeakPolarHBondContact O-CD 3.25Å; S26-P28 VanDerWaalsContact C-CD 3.44Å; P28-K31 PolarHBondContact O-N 3.11Å; P28-C32 WeakPolarHBondContact O-CB 3.44Å; P28-C32 PolarHBondContact O-N 3.04Å |
| 29 | Y | 65.3 | Low | 55.4 | Low | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -57.1 | 177.2 | 166.6 | -108.2 | 0 | 0 | 0 | 110.8 | S26 K27 K31 C32 Y33 C173 L174 V177 V185 E189 | S26-Y29 VanDerWaalsContact O-CB 3.31Å; S26-Y29 WeakPolarHBondContact O-CB 3.49Å; S26-Y29 PolarHBondContact O-N 3.22Å; K27-Y29 VanDerWaalsContact C-N 3.34Å; K27-Y29 PolarHBondContact O-N 3.21Å; Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 3.48Å; Y29-C32 WeakPolarHBondContact O-CB 3.44Å; Y29-C32 PolarHBondContact O-N 3.14Å; Y29-C32 VanDerWaalsContact O-N 3.16Å; Y29-Y33 PolarHBondContact O-N 3.34Å; Y29-C173 HydrophobicContact CD2-CB 3.85Å; Y29-C173 HydrophobicContact CE2-CB 4Å; Y29-L174 HydrophobicContact CD2-CB 4.17Å; Y29-L174 HydrophobicContact CD2-CD1 4.32Å; Y29-L174 HydrophobicContact CE2-CB 3.95Å; Y29-L174 HydrophobicContact CE2-CD1 4.42Å; Y29-V177 HydrophobicContact CD2-CG2 4.42Å; Y29-V177 HydrophobicContact CG-CG2 4.48Å; Y29-V185 HydrophobicContact CD1-CG1 3.33Å; Y29-V185 HydrophobicContact CD2-CG1 4.16Å; Y29-V185 HydrophobicContact CE1-CG1 3.61Å; Y29-V185 HydrophobicContact CE2-CG1 4.4Å; Y29-V185 HydrophobicContact CG-CG1 3.62Å; Y29-V185 HydrophobicContact CG-CG2 4.41Å; Y29-E189 HydrophobicContact CE1-CG 4.19Å; Y29-E189 WeakPolarHBondContact CE1-OE1 3.48Å; Y29-E189 PolarHBondContact OH-OE1 2.9Å |
| 30 | F | 64 | Low | 56.3 | Low | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | -178.1 | -70.4 | -73.3 | 0 | 0 | 0 | 111.1 | L14 I17 I21 S26 C32 Y33 L34 E189 L192 | L14-F30 HydrophobicContact CD2-CD1 3.72Å; L14-F30 HydrophobicContact CD2-CE1 3.92Å; I17-F30 HydrophobicContact CB-CD1 4.41Å; I17-F30 HydrophobicContact CG2-CB 4.45Å; I17-F30 HydrophobicContact CG2-CD1 3.65Å; I17-F30 HydrophobicContact CG2-CD2 3.72Å; I17-F30 HydrophobicContact CG2-CE1 3.68Å; I17-F30 HydrophobicContact CG2-CE2 3.75Å; I17-F30 HydrophobicContact CG2-CG 3.67Å; I17-F30 HydrophobicContact CG2-CZ 3.73Å; I21-F30 HydrophobicContact CD1-CD2 3.31Å; I21-F30 HydrophobicContact CD1-CE2 3.19Å; I21-F30 HydrophobicContact CD1-CG 4.37Å; I21-F30 HydrophobicContact CD1-CZ 4.17Å; S26-F30 WeakPolarHBondContact O-CD2 3.34Å; S26-F30 PolarHBondContact O-N 3.43Å; F30-C32 PolarHBondContact O-N 3.5Å; F30-Y33 PolarHBondContact O-N 2.98Å; F30-L34 VanDerWaalsContact O-CD1 3.26Å; F30-L34 WeakPolarHBondContact O-CD1 3.4Å; F30-L34 WeakPolarHBondContact O-CG 3.1Å; F30-L34 PolarHBondContact O-N 3.41Å; F30-E189 HydrophobicContact CE1-CG 4.18Å; F30-E189 HydrophobicContact CZ-CG 3.91Å; F30-L192 HydrophobicContact CZ-CD1 4.11Å |
| 31 | K | 64 | Low | 56.9 | Low | 121 Ų | 121 | 54.1 Ų | 54.1 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.3 | -169.5 | 173.4 | 179.3 | 176.9 | 0 | 112.2 | S18 K27 P28 Y29 Q35 | S18-K31 VanDerWaalsContact OG-CA 3.31Å; S18-K31 WeakPolarHBondContact OG-CA 3.31Å; S18-K31 WeakPolarHBondContact OG-CB 3.26Å; S18-K31 PolarHBondContact OG-N 2.03Å; S18-K31 VanDerWaalsContact OG-N 3.1Å; K27-K31 WeakPolarHBondContact O-CB 3.31Å; K27-K31 PolarHBondContact O-N 2.96Å; P28-K31 PolarHBondContact O-N 3.11Å; Y29-K31 VanDerWaalsContact C-N 3.27Å; Y29-K31 PolarHBondContact O-N 3.48Å; K31-Q35 WeakPolarHBondContact O-CG 3.02Å; K31-Q35 PolarHBondContact O-N 2.89Å |
| 32 | C | 68.8 | Low | 57.6 | Low | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | P28 Y29 F30 L34 Q35 E36 C173 K176 | P28-C32 WeakPolarHBondContact O-CB 3.44Å; P28-C32 PolarHBondContact O-N 3.04Å; Y29-C32 WeakPolarHBondContact O-CB 3.44Å; Y29-C32 PolarHBondContact O-N 3.14Å; Y29-C32 VanDerWaalsContact O-N 3.16Å; F30-C32 PolarHBondContact O-N 3.5Å; C32-L34 PolarHBondContact O-N 3.02Å; C32-Q35 PolarHBondContact O-N 3.15Å; C32-E36 PolarHBondContact O-N 3.01Å; C32-C173 HydrophobicContact CB-CB 3.61Å; C32-C173 WeakPolarHBondContact CB-SG 3.31Å; C32-C173 PolarHBondContact O-SG 3.16Å; C32-C173 WeakPolarHBondContact SG-CA 3.39Å; C32-C173 WeakPolarHBondContact SG-CB 3.37Å; C32-C173 CovalentContact SG-SG 2.05Å; C32-C173 PolarHBondContact SG-SG 3.35Å; C32-K176 PolarHBondContact SG-NZ 3.43Å |
| 33 | Y | 64.7 | Low | 58.1 | Low | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -34.3 | -172.7 | -176.3 | -139.7 | 0 | 0 | 0 | 111.4 | L14 Y29 F30 E36 L37 A169 K170 C173 | L14-Y33 HydrophobicContact CD1-CD1 3.51Å; L14-Y33 HydrophobicContact CD1-CE1 3.31Å; L14-Y33 HydrophobicContact CD2-CD1 3.91Å; L14-Y33 HydrophobicContact CD2-CE1 4.07Å; L14-Y33 HydrophobicContact CG-CD1 4.28Å; L14-Y33 HydrophobicContact CG-CE1 4.33Å; Y29-Y33 PolarHBondContact O-N 3.34Å; F30-Y33 PolarHBondContact O-N 2.98Å; Y33-E36 PolarHBondContact O-N 2.65Å; Y33-L37 HydrophobicContact CD1-CD1 4.21Å; Y33-L37 HydrophobicContact CD2-CD1 4.42Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.86Å; Y33-L37 HydrophobicContact CE2-CD1 4.07Å; Y33-L37 HydrophobicContact CE2-CD2 3.95Å; Y33-L37 HydrophobicContact CE2-CG 3.85Å; Y33-L37 HydrophobicContact CG-CD1 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.46Å; Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.24Å; Y33-L37 PolarHBondContact O-N 3.31Å; Y33-A169 HydrophobicContact CD2-CB 3.99Å; Y33-A169 HydrophobicContact CE2-CB 3.9Å; Y33-K170 HydrophobicContact CD1-CG 4.29Å; Y33-K170 HydrophobicContact CD2-CG 3.97Å; Y33-K170 HydrophobicContact CE1-CD 4.3Å; Y33-K170 HydrophobicContact CE1-CG 3.79Å; Y33-K170 HydrophobicContact CE2-CB 4.33Å; Y33-K170 HydrophobicContact CE2-CG 3.43Å; Y33-K170 VanDerWaalsContact CE2-CG 3.43Å; Y33-K170 HydrophobicContact CG-CG 4.39Å; Y33-K170 WeakPolarHBondContact OH-CE 3.41Å; Y33-C173 WeakPolarHBondContact CA-SG 3.46Å; Y33-C173 PolarHBondContact N-SG 2.89Å |
| 34 | L | 59.5 | Low | 58.3 | Low | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 171.6 | -71.9 | 160.7 | 0 | 0 | 0 | 115 | T11 L14 A15 F30 C32 E36 L37 E38 | T11-L34 HydrophobicContact CG2-CD2 3.71Å; T11-L34 WeakPolarHBondContact O-CD2 3.11Å; L14-L34 HydrophobicContact CB-CD2 3.54Å; L14-L34 HydrophobicContact CB-CG 3.99Å; A15-L34 HydrophobicContact CB-CD1 3.72Å; A15-L34 HydrophobicContact CB-CD2 3.79Å; A15-L34 HydrophobicContact CB-CG 4.36Å; A15-L34 VanDerWaalsContact N-CD2 3.32Å; F30-L34 VanDerWaalsContact O-CD1 3.26Å; F30-L34 WeakPolarHBondContact O-CD1 3.4Å; F30-L34 WeakPolarHBondContact O-CG 3.1Å; F30-L34 PolarHBondContact O-N 3.41Å; C32-L34 PolarHBondContact O-N 3.02Å; L34-E36 PolarHBondContact O-N 2.94Å; L34-L37 PolarHBondContact O-N 2.98Å; L34-L37 VanDerWaalsContact O-N 3.1Å; L34-E38 PolarHBondContact O-N 3.3Å |
| 35 | Q | 63.2 | Low | 58.2 | Low | 113 Ų | 113 | 52.2 Ų | 52.2 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | -179.3 | -69.5 | 178.4 | -30.7 | 0 | 0 | 110.2 | K31 C32 S39 | K31-Q35 WeakPolarHBondContact O-CG 3.02Å; K31-Q35 PolarHBondContact O-N 2.89Å; C32-Q35 PolarHBondContact O-N 3.15Å; Q35-S39 PolarHBondContact O-N 3.34Å |
| 36 | E | 65.1 | Low | 57.6 | Low | 53 Ų | 53 | 50.8 Ų | 50.8 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 172.2 | -60.8 | -60.6 | 155.9 | 0 | 0 | 110.5 | C32 Y33 L34 E38 S39 I40 A169 K176 | C32-E36 PolarHBondContact O-N 3.01Å; Y33-E36 PolarHBondContact O-N 2.65Å; L34-E36 PolarHBondContact O-N 2.94Å; E36-E38 PolarHBondContact O-N 3.25Å; E36-S39 WeakPolarHBondContact O-CB 3.32Å; E36-S39 PolarHBondContact O-N 3.17Å; E36-S39 VanDerWaalsContact O-N 3.1Å; E36-S39 PolarHBondContact O-OG 3.4Å; E36-I40 HydrophobicContact CB-CD1 4.46Å; E36-I40 VanDerWaalsContact O-CD1 3.27Å; E36-I40 WeakPolarHBondContact O-CD1 3.25Å; E36-I40 WeakPolarHBondContact O-CG1 3.14Å; E36-I40 PolarHBondContact O-N 3.45Å; E36-A169 HydrophobicContact CB-CB 3.72Å; E36-A169 HydrophobicContact CG-CB 4.3Å; E36-K176 IonicContact OE1-NZ 3.83Å |
| 37 | L | 58.1 | Low | 57.3 | Low | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 178.8 | -73.5 | 177.7 | 0 | 0 | 0 | 114 | L14 Y33 L34 S39 I40 I41 K166 | L14-L37 HydrophobicContact CD1-CD1 3.25Å; Y33-L37 HydrophobicContact CD1-CD1 4.21Å; Y33-L37 HydrophobicContact CD2-CD1 4.42Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.86Å; Y33-L37 HydrophobicContact CE2-CD1 4.07Å; Y33-L37 HydrophobicContact CE2-CD2 3.95Å; Y33-L37 HydrophobicContact CE2-CG 3.85Å; Y33-L37 HydrophobicContact CG-CD1 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.46Å; Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.24Å; Y33-L37 PolarHBondContact O-N 3.31Å; L34-L37 PolarHBondContact O-N 2.98Å; L34-L37 VanDerWaalsContact O-N 3.1Å; L37-S39 PolarHBondContact O-N 3.06Å; L37-I40 HydrophobicContact CD2-CD1 4.23Å; L37-I40 PolarHBondContact O-N 3.3Å; L37-I40 VanDerWaalsContact O-N 3.11Å; L37-I41 PolarHBondContact O-N 2.92Å; L37-K166 HydrophobicContact CD2-CG 3.91Å |
| 38 | E | 53.7 | Low | 57.1 | Low | 130 Ų | 130 | 51 Ų | 51 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.6 | -36 | 173.6 | -76.9 | -174.6 | 164.2 | 0 | 0 | 111.4 | T11 L34 E36 | T11-E38 HydrophobicContact CG2-CG 3.93Å; L34-E38 PolarHBondContact O-N 3.3Å; E36-E38 PolarHBondContact O-N 3.25Å |
| 39 | S | 52.3 | Low | 56.6 | Low | 78 Ų | 78 | 49.3 Ų | 49.3 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.5 | -31 | 176.3 | 84.1 | 0 | 0 | 0 | 0 | 113.2 | Q35 E36 L37 | Q35-S39 PolarHBondContact O-N 3.34Å; E36-S39 WeakPolarHBondContact O-CB 3.32Å; E36-S39 PolarHBondContact O-N 3.17Å; E36-S39 VanDerWaalsContact O-N 3.1Å; E36-S39 PolarHBondContact O-OG 3.4Å; L37-S39 PolarHBondContact O-N 3.06Å |
| 40 | I | 51.3 | Low | 56.2 | Low | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.1 | -30.1 | -175.9 | -67.4 | 158.1 | 0 | 0 | 0 | 111.4 | E36 L37 P42 I165 A169 | E36-I40 HydrophobicContact CB-CD1 4.46Å; E36-I40 VanDerWaalsContact O-CD1 3.27Å; E36-I40 WeakPolarHBondContact O-CD1 3.25Å; E36-I40 WeakPolarHBondContact O-CG1 3.14Å; E36-I40 PolarHBondContact O-N 3.45Å; L37-I40 HydrophobicContact CD2-CD1 4.23Å; L37-I40 PolarHBondContact O-N 3.3Å; L37-I40 VanDerWaalsContact O-N 3.11Å; I40-P42 WeakPolarHBondContact O-CD 3.45Å; I40-I165 HydrophobicContact CB-CG2 4.3Å; I40-I165 HydrophobicContact CD1-CG2 3.49Å; I40-I165 VanDerWaalsContact CD1-CG2 3.49Å; I40-I165 HydrophobicContact CG1-CG2 3.53Å; I40-I165 HydrophobicContact CG2-CG2 3.71Å; I40-A169 HydrophobicContact CD1-CB 3.96Å |
| 41 | I | 49.8 | Very low | 56.2 | Low | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -123.8 | 68.8 | -173.5 | -48.1 | -164.4 | 0 | 0 | 0 | 109.1 | V7 L37 K43 V46 | V7-I41 HydrophobicContact CB-CB 4.41Å; V7-I41 HydrophobicContact CB-CD1 3.81Å; V7-I41 HydrophobicContact CB-CG2 4.08Å; V7-I41 HydrophobicContact CG1-CB 3.68Å; V7-I41 HydrophobicContact CG1-CD1 3.4Å; V7-I41 HydrophobicContact CG1-CG1 3.82Å; V7-I41 HydrophobicContact CG1-CG2 3.88Å; V7-I41 HydrophobicContact CG2-CB 4.43Å; V7-I41 HydrophobicContact CG2-CD1 3.14Å; V7-I41 HydrophobicContact CG2-CG1 4.22Å; V7-I41 HydrophobicContact CG2-CG2 3.95Å; L37-I41 PolarHBondContact O-N 2.92Å; I41-K43 PolarHBondContact O-N 3.5Å; I41-V46 HydrophobicContact CG2-CG2 4.2Å |
| 42 | P | 48.9 | Very low | 56.3 | Low | 58 Ų | 58 | 51.8 Ų | 51.8 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | trans | -63.2 | 143.8 | 179.3 | 23.4 | -29.2 | 0 | 0 | 0 | 109.2 | I40 A44 V45 | I40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-A44 PolarHBondContact O-N 3.44Å; P42-V45 HydrophobicContact CG-CG2 3.91Å; P42-V45 PolarHBondContact O-N 2.86Å | ||
| 43 | K | 47.4 | Very low | 56 | Low | 129 Ų | 129 | 53.2 Ų | 53.2 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -36.4 | -39.3 | 172.1 | -169.8 | -175.5 | 172.5 | 167.6 | 0 | 112.8 | R4 I41 V45 V46 D47 | R4-K43 PolarHBondContact NH2-O 3.45Å; I41-K43 PolarHBondContact O-N 3.5Å; K43-V45 PolarHBondContact O-N 3.22Å; K43-V46 PolarHBondContact O-N 3.38Å; K43-D47 WeakPolarHBondContact CG-OD2 3.32Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.42Å |
| 44 | A | 48 | Very low | 56.1 | Low | 64 Ų | 64 | 53.6 Ų | 53.6 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | P42 V46 S48 | P42-A44 PolarHBondContact O-N 3.44Å; A44-V46 VanDerWaalsContact C-N 3.32Å; A44-S48 WeakPolarHBondContact O-CB 3.04Å; A44-S48 PolarHBondContact O-N 3.46Å |
| 45 | V | 50 | Low | 56.7 | Low | 58 Ų | 58 | 58 Ų | 58 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 178 | 169.6 | 0 | 0 | 0 | 0 | 110 | P42 K43 S48 C49 | P42-V45 HydrophobicContact CG-CG2 3.91Å; P42-V45 PolarHBondContact O-N 2.86Å; K43-V45 PolarHBondContact O-N 3.22Å; V45-S48 WeakPolarHBondContact O-CB 3.42Å; V45-S48 PolarHBondContact O-N 3.26Å; V45-C49 PolarHBondContact O-N 2.96Å; V45-C49 PolarHBondContact O-SG 3.39Å |
| 46 | V | 50.4 | Low | 56.9 | Low | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.3 | -45.6 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | L3 R4 I41 K43 A44 S48 C49 F50 | L3-V46 HydrophobicContact CB-CG2 4.47Å; R4-V46 HydrophobicContact CB-CB 4.49Å; R4-V46 HydrophobicContact CB-CG1 3.6Å; R4-V46 HydrophobicContact CB-CG2 4.43Å; R4-V46 HydrophobicContact CG-CB 3.92Å; R4-V46 HydrophobicContact CG-CG1 3.42Å; R4-V46 VanDerWaalsContact CG-CG1 3.42Å; R4-V46 HydrophobicContact CG-CG2 3.99Å; I41-V46 HydrophobicContact CG2-CG2 4.2Å; K43-V46 PolarHBondContact O-N 3.38Å; A44-V46 VanDerWaalsContact C-N 3.32Å; V46-S48 PolarHBondContact O-N 3.4Å; V46-C49 WeakPolarHBondContact O-CB 3.44Å; V46-C49 PolarHBondContact O-N 3.27Å; V46-F50 HydrophobicContact CG1-CD2 3.7Å; V46-F50 HydrophobicContact CG1-CE2 3.51Å; V46-F50 VanDerWaalsContact O-CD2 3.26Å; V46-F50 WeakPolarHBondContact O-CD2 3.34Å; V46-F50 PolarHBondContact O-N 3.02Å |
| 47 | D | 53 | Low | 57.1 | Low | 43 Ų | 43 | 50.8 Ų | 50.8 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55 | -39.9 | 171 | -70.4 | -27.4 | 0 | 0 | 0 | 110.5 | R4 K43 C49 F50 N51 | R4-D47 IonicContact CZ-OD1 2.94Å; R4-D47 VanDerWaalsContact CZ-OD1 3.29Å; R4-D47 IonicContact NH1-OD1 2.86Å; R4-D47 PolarHBondContact NH1-OD1 2.95Å; R4-D47 VanDerWaalsContact NH2-CG 3.25Å; R4-D47 IonicContact NH2-OD1 2.7Å; R4-D47 PolarHBondContact NH2-OD1 2.84Å; R4-D47 IonicContact NH2-OD2 2.69Å; R4-D47 PolarHBondContact NH2-OD2 3.41Å; K43-D47 WeakPolarHBondContact CG-OD2 3.32Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.42Å; D47-C49 PolarHBondContact O-N 2.95Å; D47-F50 PolarHBondContact O-N 2.87Å; D47-N51 VanDerWaalsContact O-CB 3.27Å; D47-N51 WeakPolarHBondContact O-CB 3.14Å; D47-N51 PolarHBondContact O-N 3.25Å; D47-N51 PolarHBondContact O-ND2 3.37Å |
| 48 | S | 56.9 | Low | 57.9 | Low | 51 Ų | 51 | 56.8 Ų | 56.8 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | A44 V45 V46 K52 | A44-S48 WeakPolarHBondContact O-CB 3.04Å; A44-S48 PolarHBondContact O-N 3.46Å; V45-S48 WeakPolarHBondContact O-CB 3.42Å; V45-S48 PolarHBondContact O-N 3.26Å; V46-S48 PolarHBondContact O-N 3.4Å; S48-K52 WeakPolarHBondContact O-CB 3.01Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3Å |
| 49 | C | 55 | Low | 59.2 | Low | 38 Ų | 38 | 55 Ų | 55 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 111 | V45 V46 D47 K52 V53 | V45-C49 PolarHBondContact O-N 2.96Å; V45-C49 PolarHBondContact O-SG 3.39Å; V46-C49 WeakPolarHBondContact O-CB 3.44Å; V46-C49 PolarHBondContact O-N 3.27Å; D47-C49 PolarHBondContact O-N 2.95Å; C49-K52 WeakPolarHBondContact O-CB 3.13Å; C49-K52 PolarHBondContact O-N 3.26Å; C49-V53 WeakPolarHBondContact O-CG2 3.38Å; C49-V53 PolarHBondContact O-N 2.76Å |
| 50 | F | 57.3 | Low | 60.4 | Low | 15 Ų | 15 | 52.2 Ų | 52.2 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 176.8 | -77.3 | -69.1 | 0 | 0 | 0 | 112.2 | V46 D47 K52 V53 S54 E120 A123 | V46-F50 HydrophobicContact CG1-CD2 3.7Å; V46-F50 HydrophobicContact CG1-CE2 3.51Å; V46-F50 VanDerWaalsContact O-CD2 3.26Å; V46-F50 WeakPolarHBondContact O-CD2 3.34Å; V46-F50 PolarHBondContact O-N 3.02Å; D47-F50 PolarHBondContact O-N 2.87Å; F50-K52 VanDerWaalsContact C-N 3.26Å; F50-K52 PolarHBondContact O-N 2.97Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.12Å; F50-S54 PolarHBondContact O-N 3.26Å; F50-E120 WeakPolarHBondContact CB-OE2 3.01Å; F50-E120 HydrophobicContact CD1-CB 4.46Å; F50-E120 WeakPolarHBondContact CD1-OE2 3.01Å; F50-E120 WeakPolarHBondContact CD2-OE2 3.18Å; F50-E120 HydrophobicContact CE1-CB 4.14Å; F50-E120 HydrophobicContact CE2-CG 4.43Å; F50-E120 WeakPolarHBondContact CG-OE2 3.37Å; F50-E120 HydrophobicContact CZ-CB 4.18Å; F50-A123 HydrophobicContact CD1-CB 3.77Å; F50-A123 HydrophobicContact CE1-CB 3.62Å |
| 51 | N | 63.6 | Low | 61.5 | Low | 95 Ų | 95 | 52.6 Ų | 52.6 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 174.2 | -74.2 | -35.1 | 0 | 0 | 0 | 111.6 | D47 S54 Q55 | D47-N51 VanDerWaalsContact O-CB 3.27Å; D47-N51 WeakPolarHBondContact O-CB 3.14Å; D47-N51 PolarHBondContact O-N 3.25Å; D47-N51 PolarHBondContact O-ND2 3.37Å; N51-S54 PolarHBondContact O-N 3.26Å; N51-Q55 VanDerWaalsContact O-CB 3.32Å; N51-Q55 WeakPolarHBondContact O-CB 3.26Å; N51-Q55 WeakPolarHBondContact O-CG 3.49Å; N51-Q55 PolarHBondContact O-N 3.48Å |
| 52 | K | 66.2 | Low | 62.5 | Low | 67 Ų | 67 | 51.9 Ų | 51.9 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.5 | -78.2 | 174.6 | 170.8 | -165.3 | 0 | 112.2 | S48 C49 F50 Q55 C56 L151 E154 | S48-K52 WeakPolarHBondContact O-CB 3.01Å; S48-K52 WeakPolarHBondContact O-CG 3.33Å; S48-K52 PolarHBondContact O-N 3Å; C49-K52 WeakPolarHBondContact O-CB 3.13Å; C49-K52 PolarHBondContact O-N 3.26Å; F50-K52 VanDerWaalsContact C-N 3.26Å; F50-K52 PolarHBondContact O-N 2.97Å; K52-Q55 WeakPolarHBondContact O-CB 3.35Å; K52-Q55 PolarHBondContact O-N 3.22Å; K52-C56 PolarHBondContact O-N 3.11Å; K52-C56 PolarHBondContact O-SG 3.47Å; K52-L151 HydrophobicContact CB-CD1 3.84Å; K52-L151 HydrophobicContact CB-CD2 3.85Å; K52-L151 HydrophobicContact CD-CD2 3.69Å; K52-L151 HydrophobicContact CG-CD2 4.2Å; K52-E154 IonicContact NZ-OE1 2.56Å; K52-E154 IonicContact NZ-OE2 3.27Å; K52-E154 PolarHBondContact NZ-OE2 3.02Å |
| 53 | V | 62.8 | Low | 63.2 | Low | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | C49 F50 Q55 C56 F57 L148 L151 | C49-V53 WeakPolarHBondContact O-CG2 3.38Å; C49-V53 PolarHBondContact O-N 2.76Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.12Å; V53-Q55 PolarHBondContact O-N 3.44Å; V53-C56 WeakPolarHBondContact O-CB 3.12Å; V53-C56 PolarHBondContact O-N 3.31Å; V53-F57 HydrophobicContact CG1-CD2 3.99Å; V53-F57 HydrophobicContact CG1-CE2 3.64Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-F57 PolarHBondContact O-N 3.43Å; V53-L148 HydrophobicContact CB-CD2 4.45Å; V53-L148 HydrophobicContact CG1-CD2 4.16Å; V53-L148 HydrophobicContact CG2-CD2 4.09Å; V53-L151 HydrophobicContact CG2-CD1 4.2Å |
| 54 | S | 65 | Low | 63.7 | Low | 16 Ų | 16 | 56.6 Ų | 56.6 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.9 | -37.7 | 175.4 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | F50 N51 F57 Q58 L126 | F50-S54 PolarHBondContact O-N 3.26Å; N51-S54 PolarHBondContact O-N 3.26Å; S54-F57 PolarHBondContact O-N 2.93Å; S54-Q58 VanDerWaalsContact O-CG 3.31Å; S54-Q58 WeakPolarHBondContact O-CG 3.31Å; S54-Q58 PolarHBondContact O-N 3.17Å; S54-L126 WeakPolarHBondContact OG-CD1 3.35Å |
| 55 | Q | 72.2 | Confident | 64 | Low | 109 Ų | 109 | 53.7 Ų | 53.7 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 174.4 | -77.4 | 168.5 | 4.5 | 0 | 0 | 113 | N51 K52 V53 F57 Q58 S59 | N51-Q55 VanDerWaalsContact O-CB 3.32Å; N51-Q55 WeakPolarHBondContact O-CB 3.26Å; N51-Q55 WeakPolarHBondContact O-CG 3.49Å; N51-Q55 PolarHBondContact O-N 3.48Å; K52-Q55 WeakPolarHBondContact O-CB 3.35Å; K52-Q55 PolarHBondContact O-N 3.22Å; V53-Q55 PolarHBondContact O-N 3.44Å; Q55-F57 VanDerWaalsContact C-N 3.25Å; Q55-F57 PolarHBondContact O-N 3.38Å; Q55-Q58 PolarHBondContact O-N 2.97Å; Q55-S59 VanDerWaalsContact O-CB 3.25Å; Q55-S59 WeakPolarHBondContact O-CB 3.46Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.03Å |
| 56 | C | 68.8 | Low | 64.2 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 172.6 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | K52 V53 S59 S60 C147 L148 L151 | K52-C56 PolarHBondContact O-N 3.11Å; K52-C56 PolarHBondContact O-SG 3.47Å; V53-C56 WeakPolarHBondContact O-CB 3.12Å; V53-C56 PolarHBondContact O-N 3.31Å; C56-S59 PolarHBondContact O-OG 3.26Å; C56-S60 PolarHBondContact O-N 2.91Å; C56-C147 WeakPolarHBondContact CA-SG 3.4Å; C56-C147 HydrophobicContact CB-CB 3.62Å; C56-C147 WeakPolarHBondContact CB-SG 3.43Å; C56-C147 WeakPolarHBondContact SG-CB 2.9Å; C56-C147 CovalentContact SG-SG 2.04Å; C56-C147 PolarHBondContact SG-SG 2.99Å; C56-L148 HydrophobicContact CB-CD2 4.21Å; C56-L148 HydrophobicContact CB-CG 4.5Å; C56-L151 VanDerWaalsContact SG-CD1 3.57Å |
| 57 | F | 68.1 | Low | 64.5 | Low | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.2 | -47 | 177 | -71.7 | -71.9 | 0 | 0 | 0 | 112.4 | V53 S54 Q55 S59 S60 L65 L126 F130 I144 L148 | V53-F57 HydrophobicContact CG1-CD2 3.99Å; V53-F57 HydrophobicContact CG1-CE2 3.64Å; V53-F57 WeakPolarHBondContact O-CD2 3.44Å; V53-F57 PolarHBondContact O-N 3.43Å; S54-F57 PolarHBondContact O-N 2.93Å; Q55-F57 VanDerWaalsContact C-N 3.25Å; Q55-F57 PolarHBondContact O-N 3.38Å; F57-S59 PolarHBondContact O-N 3.38Å; F57-S60 PolarHBondContact O-N 2.67Å; F57-S60 PolarHBondContact O-OG 2.75Å; F57-L65 HydrophobicContact CB-CD1 4.38Å; F57-L65 HydrophobicContact CD1-CD1 3.39Å; F57-L65 HydrophobicContact CE1-CD1 4.03Å; F57-L65 HydrophobicContact CG-CD1 4.29Å; F57-L126 HydrophobicContact CB-CD1 4.4Å; F57-L126 HydrophobicContact CB-CD2 3.96Å; F57-L126 HydrophobicContact CD1-CD2 4.46Å; F57-L126 HydrophobicContact CD2-CB 3.83Å; F57-L126 HydrophobicContact CD2-CD1 3.71Å; F57-L126 HydrophobicContact CD2-CD2 4.24Å; F57-L126 HydrophobicContact CD2-CG 4.14Å; F57-L126 HydrophobicContact CE1-CB 4.45Å; F57-L126 HydrophobicContact CE2-CB 3.76Å; F57-L126 HydrophobicContact CE2-CD1 4.32Å; F57-L126 HydrophobicContact CG-CB 4.24Å; F57-L126 HydrophobicContact CG-CD1 4.23Å; F57-L126 HydrophobicContact CG-CD2 3.97Å; F57-L126 HydrophobicContact CG-CG 4.37Å; F57-L126 HydrophobicContact CZ-CB 4.07Å; F57-F130 HydrophobicContact CE1-CB 3.79Å; F57-F130 AromaticContact CE1-CD2 3.86Å; F57-F130 HydrophobicContact CE1-CD2 3.86Å; F57-F130 HydrophobicContact CE1-CG 4.06Å; F57-F130 HydrophobicContact CZ-CB 4.19Å; F57-F130 HydrophobicContact CZ-CG 4.46Å; F57-I144 HydrophobicContact CD1-CD1 3.64Å; F57-I144 HydrophobicContact CD1-CG1 4.01Å; F57-I144 HydrophobicContact CD1-CG2 3.86Å; F57-I144 HydrophobicContact CE1-CD1 3.93Å; F57-I144 HydrophobicContact CE1-CG1 4.36Å; F57-I144 HydrophobicContact CE1-CG2 3.49Å; F57-I144 VanDerWaalsContact CE1-CG2 3.49Å; F57-I144 HydrophobicContact CZ-CG2 3.88Å; F57-L148 HydrophobicContact CZ-CD1 4.39Å |
| 58 | Q | 75.8 | Confident | 64.5 | Low | 128 Ų | 128 | 60.4 Ų | 60.4 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 178 | -71.3 | 170.6 | -3.2 | 0 | 0 | 112.3 | S54 Q55 S60 G61 | S54-Q58 VanDerWaalsContact O-CG 3.31Å; S54-Q58 WeakPolarHBondContact O-CG 3.31Å; S54-Q58 PolarHBondContact O-N 3.17Å; Q55-Q58 PolarHBondContact O-N 2.97Å; Q58-S60 VanDerWaalsContact C-N 3.26Å; Q58-S60 PolarHBondContact O-N 2.85Å; Q58-G61 PolarHBondContact O-N 3.4Å; Q58-G61 VanDerWaalsContact O-N 3.16Å |
| 59 | S | 81 | Confident | 64.6 | Low | 94 Ų | 94 | 58.5 Ų | 58.5 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.6 | -20.2 | -178 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | Q55 C56 F57 G61 | Q55-S59 VanDerWaalsContact O-CB 3.25Å; Q55-S59 WeakPolarHBondContact O-CB 3.46Å; Q55-S59 PolarHBondContact O-N 3.36Å; Q55-S59 PolarHBondContact O-OG 3.03Å; C56-S59 PolarHBondContact O-OG 3.26Å; F57-S59 PolarHBondContact O-N 3.38Å; S59-G61 PolarHBondContact O-N 3.4Å |
| 60 | S | 76.6 | Confident | 65 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.7 | 172.8 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | C56 F57 Q58 C62 Q140 I144 | C56-S60 PolarHBondContact O-N 2.91Å; F57-S60 PolarHBondContact O-N 2.67Å; F57-S60 PolarHBondContact O-OG 2.75Å; Q58-S60 VanDerWaalsContact C-N 3.26Å; Q58-S60 PolarHBondContact O-N 2.85Å; S60-C62 PolarHBondContact O-N 2.77Å; S60-C62 WeakPolarHBondContact OG-CB 3.5Å; S60-C62 PolarHBondContact OG-N 3.32Å; S60-C62 VanDerWaalsContact OG-N 3.15Å; S60-Q140 WeakPolarHBondContact O-CG 3.33Å; S60-I144 VanDerWaalsContact CB-CG1 3.43Å |
| 61 | G | 74.5 | Confident | 65.4 | Low | 44 Ų | 44 | 65.6 Ų | 65.6 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 8.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q58 S59 E63 Q140 | Q58-G61 PolarHBondContact O-N 3.4Å; Q58-G61 VanDerWaalsContact O-N 3.16Å; S59-G61 PolarHBondContact O-N 3.4Å; G61-E63 PolarHBondContact O-N 2.75Å; G61-E63 VanDerWaalsContact O-N 3.11Å; G61-Q140 VanDerWaalsContact C-NE2 3.32Å; G61-Q140 PolarHBondContact O-NE2 2.85Å; G61-Q140 VanDerWaalsContact O-NE2 3.16Å |
| 62 | C | 71.3 | Confident | 65.5 | Low | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | trans | -84.9 | 61.1 | 172.6 | -160.8 | 0 | 0 | 0 | 0 | 110.8 | S60 E64 L65 C136 Q140 | S60-C62 PolarHBondContact O-N 2.77Å; S60-C62 WeakPolarHBondContact OG-CB 3.5Å; S60-C62 PolarHBondContact OG-N 3.32Å; S60-C62 VanDerWaalsContact OG-N 3.15Å; C62-E64 PolarHBondContact O-N 3.21Å; C62-L65 HydrophobicContact CB-CD1 3.67Å; C62-L65 HydrophobicContact CB-CG 4.1Å; C62-L65 WeakPolarHBondContact O-CB 3.35Å; C62-L65 WeakPolarHBondContact O-CD1 3.34Å; C62-L65 WeakPolarHBondContact O-CG 3.2Å; C62-L65 PolarHBondContact O-N 3.48Å; C62-L65 VanDerWaalsContact SG-CG 3.57Å; C62-C136 HydrophobicContact CB-CB 4.1Å; C62-C136 WeakPolarHBondContact CB-SG 3.36Å; C62-C136 WeakPolarHBondContact SG-CA 3.4Å; C62-C136 WeakPolarHBondContact SG-CB 3.49Å; C62-C136 CovalentContact SG-SG 2.03Å; C62-C136 PolarHBondContact SG-SG 3.33Å; C62-Q140 HydrophobicContact CB-CB 4.25Å | ||
| 63 | E | 63.3 | Low | 65.5 | Low | 154 Ų | 154 | 62.5 Ų | 62.5 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25 | -176.5 | -70.1 | -174.4 | 168 | 0 | 0 | 113.2 | G61 L65 S66 | G61-E63 PolarHBondContact O-N 2.75Å; G61-E63 VanDerWaalsContact O-N 3.11Å; E63-L65 PolarHBondContact O-N 2.85Å; E63-S66 PolarHBondContact O-OG 3.32Å |
| 64 | E | 58.4 | Low | 65.4 | Low | 133 Ų | 133 | 60.7 Ų | 60.7 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.2 | 179.9 | -66.8 | -167.7 | 165.8 | 0 | 0 | 113.2 | C62 S66 N67 A68 I135 | C62-E64 PolarHBondContact O-N 3.21Å; E64-S66 PolarHBondContact O-N 2.84Å; E64-N67 PolarHBondContact O-N 3.12Å; E64-N67 VanDerWaalsContact O-N 3.07Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 3.47Å; E64-I135 HydrophobicContact CB-CG2 4.05Å |
| 65 | L | 54 | Low | 65.4 | Low | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.4 | -43.9 | -178.9 | -77.5 | 166.6 | 0 | 0 | 0 | 114.3 | F57 C62 E63 N67 L126 A129 I135 C136 I144 | F57-L65 HydrophobicContact CB-CD1 4.38Å; F57-L65 HydrophobicContact CD1-CD1 3.39Å; F57-L65 HydrophobicContact CE1-CD1 4.03Å; F57-L65 HydrophobicContact CG-CD1 4.29Å; C62-L65 HydrophobicContact CB-CD1 3.67Å; C62-L65 HydrophobicContact CB-CG 4.1Å; C62-L65 WeakPolarHBondContact O-CB 3.35Å; C62-L65 WeakPolarHBondContact O-CD1 3.34Å; C62-L65 WeakPolarHBondContact O-CG 3.2Å; C62-L65 PolarHBondContact O-N 3.48Å; C62-L65 VanDerWaalsContact SG-CG 3.57Å; E63-L65 PolarHBondContact O-N 2.85Å; L65-N67 PolarHBondContact O-N 3.23Å; L65-L126 HydrophobicContact CB-CD2 4.06Å; L65-A129 HydrophobicContact CB-CB 3.96Å; L65-A129 HydrophobicContact CD2-CB 3.28Å; L65-A129 WeakPolarHBondContact CD2-O 3.02Å; L65-A129 HydrophobicContact CG-CB 4.22Å; L65-A129 WeakPolarHBondContact O-CB 3.3Å; L65-I135 HydrophobicContact CD2-CG2 3.91Å; L65-I135 HydrophobicContact CG-CG2 4.06Å; L65-C136 WeakPolarHBondContact CD1-SG 3.47Å; L65-C136 WeakPolarHBondContact CD2-SG 3.48Å; L65-C136 WeakPolarHBondContact CG-SG 3.07Å; L65-I144 HydrophobicContact CD1-CD1 3.97Å |
| 66 | S | 53.1 | Low | 65.1 | Low | 61 Ų | 61 | 62.5 Ų | 62.5 | 43% | 0.427 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.7 | -22.7 | -178.6 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | E63 E64 | E63-S66 PolarHBondContact O-OG 3.32Å; E64-S66 PolarHBondContact O-N 2.84Å |
| 67 | N | 57.7 | Low | 64.8 | Low | 141 Ų | 141 | 62.8 Ų | 62.8 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -97.3 | -22.7 | -179.1 | -65.8 | -38.4 | 0 | 0 | 0 | 113.7 | E64 L65 | E64-N67 PolarHBondContact O-N 3.12Å; E64-N67 VanDerWaalsContact O-N 3.07Å; L65-N67 PolarHBondContact O-N 3.23Å |
| 68 | A | 53.8 | Low | 64.5 | Low | 45 Ų | 45 | 63 Ų | 63 | 37% | 0.372 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -91.9 | -15.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E64 D70 I135 | E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 3.47Å; A68-D70 PolarHBondContact O-N 3.23Å; A68-I135 HydrophobicContact CB-CD1 3.34Å; A68-I135 HydrophobicContact CB-CG1 3.72Å; A68-I135 HydrophobicContact CB-CG2 3.95Å |
| 69 | A | 58.1 | Low | 63.9 | Low | 11 Ų | 11 | 61.4 Ų | 61.4 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -66.2 | 120.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q71 K125 I128 A129 | A69-Q71 PolarHBondContact O-N 3.02Å; A69-K125 HydrophobicContact CB-CB 4.12Å; A69-K125 HydrophobicContact CB-CG 4.24Å; A69-I128 HydrophobicContact CB-CG2 4.36Å; A69-A129 HydrophobicContact CB-CB 4.4Å |
| 70 | D | 63.7 | Low | 63.1 | Low | 84 Ų | 84 | 57 Ų | 57 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -54.5 | 117.3 | 167.6 | 167.8 | 30.5 | 0 | 0 | 0 | 108.4 | A68 S72 T73 A74 | A68-D70 PolarHBondContact O-N 3.23Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 VanDerWaalsContact O-N 3.15Å; D70-S72 WeakPolarHBondContact OD1-CB 3.24Å; D70-S72 PolarHBondContact OD1-N 3.4Å; D70-S72 WeakPolarHBondContact OD2-CB 3.2Å; D70-S72 PolarHBondContact OD2-OG 2.96Å; D70-T73 PolarHBondContact O-N 2.94Å; D70-T73 PolarHBondContact OD2-N 2.85Å; D70-T73 VanDerWaalsContact OD2-N 3.11Å; D70-T73 PolarHBondContact OD2-OG1 3.44Å; D70-A74 PolarHBondContact O-N 3.26Å | ||
| 71 | Q | 65 | Low | 62.3 | Low | 117 Ų | 117 | 57 Ų | 57 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.2 | -31.9 | -176.6 | -165.7 | 170.7 | 9.3 | 0 | 0 | 111 | A69 Q75 | A69-Q71 PolarHBondContact O-N 3.02Å; Q71-Q75 WeakPolarHBondContact O-CB 3.5Å; Q71-Q75 VanDerWaalsContact O-CG 3.22Å; Q71-Q75 WeakPolarHBondContact O-CG 3.27Å; Q71-Q75 PolarHBondContact O-N 3.28Å |
| 72 | S | 66.5 | Low | 61.5 | Low | 66 Ų | 66 | 56.2 Ų | 56.2 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 175.4 | 107.8 | 0 | 0 | 0 | 0 | 111.4 | D70 A74 Q75 T76 | D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 VanDerWaalsContact O-N 3.15Å; D70-S72 WeakPolarHBondContact OD1-CB 3.24Å; D70-S72 PolarHBondContact OD1-N 3.4Å; D70-S72 WeakPolarHBondContact OD2-CB 3.2Å; D70-S72 PolarHBondContact OD2-OG 2.96Å; S72-A74 PolarHBondContact O-N 3.23Å; S72-Q75 PolarHBondContact O-N 2.86Å; S72-T76 PolarHBondContact O-N 3.06Å; S72-T76 PolarHBondContact O-OG1 3.16Å |
| 73 | T | 65.1 | Low | 61.2 | Low | 32 Ų | 32 | 59.2 Ų | 59.2 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | D70 Q75 T76 Y77 L217 | D70-T73 PolarHBondContact O-N 2.94Å; D70-T73 PolarHBondContact OD2-N 2.85Å; D70-T73 VanDerWaalsContact OD2-N 3.11Å; D70-T73 PolarHBondContact OD2-OG1 3.44Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 3.41Å; T73-T76 PolarHBondContact O-N 3.29Å; T73-Y77 HydrophobicContact CG2-CD2 3.97Å; T73-Y77 HydrophobicContact CG2-CE2 3.72Å; T73-Y77 WeakPolarHBondContact O-CD2 3.39Å; T73-Y77 PolarHBondContact O-N 3.13Å; T73-L217 HydrophobicContact CG2-CD1 4.16Å |
| 74 | A | 61.6 | Low | 61 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D70 S72 Y77 V78 K125 I128 | D70-A74 PolarHBondContact O-N 3.26Å; S72-A74 PolarHBondContact O-N 3.23Å; A74-Y77 PolarHBondContact O-N 3.16Å; A74-V78 WeakPolarHBondContact O-CG2 3.07Å; A74-V78 PolarHBondContact O-N 2.93Å; A74-K125 HydrophobicContact CB-CD 4.46Å; A74-K125 HydrophobicContact CB-CG 3.54Å; A74-I128 HydrophobicContact CB-CD1 4.07Å |
| 75 | Q | 64.3 | Low | 61 | Low | 103 Ų | 103 | 46.4 Ų | 46.4 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.9 | -77.4 | 176.3 | -7.5 | 0 | 0 | 112.2 | Q71 S72 T73 Y77 V78 Q79 | Q71-Q75 WeakPolarHBondContact O-CB 3.5Å; Q71-Q75 VanDerWaalsContact O-CG 3.22Å; Q71-Q75 WeakPolarHBondContact O-CG 3.27Å; Q71-Q75 PolarHBondContact O-N 3.28Å; S72-Q75 PolarHBondContact O-N 2.86Å; T73-Q75 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 3.41Å; Q75-Y77 PolarHBondContact O-N 3.22Å; Q75-V78 PolarHBondContact O-N 2.96Å; Q75-Q79 WeakPolarHBondContact O-CB 3.45Å; Q75-Q79 PolarHBondContact O-N 3.5Å |
| 76 | T | 66.3 | Low | 61.3 | Low | 61 Ų | 61 | 47.8 Ų | 47.8 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | S72 T73 Q79 C80 | S72-T76 PolarHBondContact O-N 3.06Å; S72-T76 PolarHBondContact O-OG1 3.16Å; T73-T76 PolarHBondContact O-N 3.29Å; T76-Q79 PolarHBondContact O-N 3.49Å; T76-C80 WeakPolarHBondContact O-CB 3.49Å; T76-C80 PolarHBondContact O-N 2.97Å; T76-C80 PolarHBondContact O-SG 3.5Å |
| 77 | Y | 63.2 | Low | 61.7 | Low | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 178.9 | -86.5 | -122.8 | 0 | 0 | 0 | 111.8 | T73 A74 Q75 Q79 C80 L81 I128 F210 I214 L217 T222 | T73-Y77 HydrophobicContact CG2-CD2 3.97Å; T73-Y77 HydrophobicContact CG2-CE2 3.72Å; T73-Y77 WeakPolarHBondContact O-CD2 3.39Å; T73-Y77 PolarHBondContact O-N 3.13Å; A74-Y77 PolarHBondContact O-N 3.16Å; Q75-Y77 PolarHBondContact O-N 3.22Å; Y77-Q79 VanDerWaalsContact C-N 3.32Å; Y77-Q79 PolarHBondContact O-N 3.39Å; Y77-C80 PolarHBondContact O-N 2.96Å; Y77-L81 WeakPolarHBondContact O-CG 3.35Å; Y77-L81 PolarHBondContact O-N 3.32Å; Y77-I128 HydrophobicContact CD1-CD1 4.13Å; Y77-I128 HydrophobicContact CD1-CG1 4.29Å; Y77-I128 HydrophobicContact CD2-CD1 4.34Å; Y77-I128 HydrophobicContact CG-CD1 3.97Å; Y77-F210 HydrophobicContact CD1-CE1 4.43Å; Y77-F210 AromaticContact CD1-CZ 3.64Å; Y77-F210 HydrophobicContact CD1-CZ 3.64Å; Y77-F210 HydrophobicContact CE1-CE1 4.25Å; Y77-F210 AromaticContact CE1-CZ 3.9Å; Y77-F210 HydrophobicContact CE1-CZ 3.9Å; Y77-F210 HydrophobicContact CG-CZ 4.26Å; Y77-I214 HydrophobicContact CD2-CG2 4.03Å; Y77-I214 HydrophobicContact CE2-CB 4.17Å; Y77-I214 HydrophobicContact CE2-CG2 3.97Å; Y77-I214 HydrophobicContact CG-CG2 4.36Å; Y77-L217 HydrophobicContact CE2-CD1 3.58Å; Y77-T222 HydrophobicContact CD1-CG2 4.35Å; Y77-T222 HydrophobicContact CE1-CG2 3.67Å |
| 78 | V | 60.8 | Low | 61.7 | Low | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | A74 Q75 C80 L81 M82 E121 V124 | A74-V78 WeakPolarHBondContact O-CG2 3.07Å; A74-V78 PolarHBondContact O-N 2.93Å; Q75-V78 PolarHBondContact O-N 2.96Å; V78-C80 VanDerWaalsContact C-N 3.34Å; V78-C80 PolarHBondContact O-N 3.36Å; V78-L81 PolarHBondContact O-N 3.13Å; V78-M82 HydrophobicContact CG1-CG 4.4Å; V78-M82 HydrophobicContact CG1-SD 4.2Å; V78-M82 VanDerWaalsContact O-CG 3.31Å; V78-M82 WeakPolarHBondContact O-CG 3.47Å; V78-M82 PolarHBondContact O-N 3.35Å; V78-E121 HydrophobicContact CG2-CG 4.11Å; V78-V124 HydrophobicContact CG2-CB 3.82Å; V78-V124 HydrophobicContact CG2-CG1 3.94Å; V78-V124 HydrophobicContact CG2-CG2 3.81Å |
| 79 | Q | 62.9 | Low | 61.7 | Low | 95 Ų | 95 | 39.8 Ų | 39.8 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 179.4 | -169.9 | 64.5 | 55.5 | 0 | 0 | 112.5 | Q75 T76 Y77 M82 N83 | Q75-Q79 WeakPolarHBondContact O-CB 3.45Å; Q75-Q79 PolarHBondContact O-N 3.5Å; T76-Q79 PolarHBondContact O-N 3.49Å; Y77-Q79 VanDerWaalsContact C-N 3.32Å; Y77-Q79 PolarHBondContact O-N 3.39Å; Q79-M82 WeakPolarHBondContact O-CB 3.26Å; Q79-M82 PolarHBondContact O-N 2.87Å; Q79-N83 PolarHBondContact NE2-OD1 3.38Å; Q79-N83 PolarHBondContact O-N 2.85Å; Q79-N83 PolarHBondContact O-ND2 2.84Å; Q79-N83 PolarHBondContact O-OD1 3.38Å |
| 80 | C | 64.4 | Low | 61.6 | Low | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 176.3 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | T76 Y77 V78 N83 I84 F210 C213 I214 | T76-C80 WeakPolarHBondContact O-CB 3.49Å; T76-C80 PolarHBondContact O-N 2.97Å; T76-C80 PolarHBondContact O-SG 3.5Å; Y77-C80 PolarHBondContact O-N 2.96Å; V78-C80 VanDerWaalsContact C-N 3.34Å; V78-C80 PolarHBondContact O-N 3.36Å; C80-N83 PolarHBondContact O-N 2.84Å; C80-I84 WeakPolarHBondContact O-CG1 3.46Å; C80-I84 PolarHBondContact O-N 3.43Å; C80-F210 HydrophobicContact CB-CD2 3.91Å; C80-F210 HydrophobicContact CB-CE2 3.83Å; C80-C213 WeakPolarHBondContact CA-SG 3.5Å; C80-C213 HydrophobicContact CB-CB 3.74Å; C80-C213 WeakPolarHBondContact CB-SG 3.36Å; C80-C213 WeakPolarHBondContact SG-CB 3.49Å; C80-C213 CovalentContact SG-SG 2.03Å; C80-C213 PolarHBondContact SG-SG 3.23Å; C80-I214 HydrophobicContact CB-CG2 4.23Å |
| 81 | L | 60.2 | Low | 61.4 | Low | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 174.8 | -71.3 | 171 | 0 | 0 | 0 | 112 | M1 Y77 V78 I84 G85 V124 F210 I226 | M1-L81 HydrophobicContact CE-CD1 3.6Å; M1-L81 HydrophobicContact SD-CB 4.44Å; M1-L81 HydrophobicContact SD-CD1 3.76Å; Y77-L81 WeakPolarHBondContact O-CG 3.35Å; Y77-L81 PolarHBondContact O-N 3.32Å; V78-L81 PolarHBondContact O-N 3.13Å; L81-I84 PolarHBondContact O-N 2.78Å; L81-G85 PolarHBondContact O-N 3Å; L81-V124 HydrophobicContact CD1-CG2 4.37Å; L81-F210 HydrophobicContact CD1-CE2 4.49Å; L81-F210 HydrophobicContact CD2-CD2 3.93Å; L81-F210 HydrophobicContact CD2-CE2 3.81Å; L81-F210 HydrophobicContact CG-CD2 4.23Å; L81-F210 HydrophobicContact CG-CE2 3.72Å; L81-I226 HydrophobicContact CD1-CD1 3.99Å; L81-I226 HydrophobicContact CD2-CG2 3.79Å |
| 82 | M | 58.8 | Low | 60.7 | Low | 28 Ų | 28 | 33.8 Ų | 33.8 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.6 | -51.3 | 172.4 | -76.8 | 179.8 | 64.5 | 0 | 0 | 111.1 | V78 Q79 I84 G85 N86 D116 L119 | V78-M82 HydrophobicContact CG1-CG 4.4Å; V78-M82 HydrophobicContact CG1-SD 4.2Å; V78-M82 VanDerWaalsContact O-CG 3.31Å; V78-M82 WeakPolarHBondContact O-CG 3.47Å; V78-M82 PolarHBondContact O-N 3.35Å; Q79-M82 WeakPolarHBondContact O-CB 3.26Å; Q79-M82 PolarHBondContact O-N 2.87Å; M82-I84 VanDerWaalsContact C-N 3.31Å; M82-I84 PolarHBondContact O-N 3.31Å; M82-G85 PolarHBondContact O-N 2.84Å; M82-N86 WeakPolarHBondContact O-CB 3.17Å; M82-N86 VanDerWaalsContact O-CG 3.26Å; M82-N86 PolarHBondContact O-N 2.56Å; M82-N86 PolarHBondContact O-ND2 2.98Å; M82-D116 HydrophobicContact CE-CB 4.28Å; M82-D116 VanDerWaalsContact CE-OD1 3.26Å; M82-D116 WeakPolarHBondContact CE-OD1 3.39Å; M82-L119 HydrophobicContact CB-CD1 4.31Å; M82-L119 HydrophobicContact CG-CD1 3.31Å; M82-L119 HydrophobicContact SD-CD1 4.49Å |
| 83 | N | 63.3 | Low | 60 | Low | 68 Ų | 68 | 30.8 Ų | 30.8 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | -178.4 | -68 | -14.7 | 0 | 0 | 0 | 111.1 | Q79 C80 N86 D87 | Q79-N83 PolarHBondContact NE2-OD1 3.38Å; Q79-N83 PolarHBondContact O-N 2.85Å; Q79-N83 PolarHBondContact O-ND2 2.84Å; Q79-N83 PolarHBondContact O-OD1 3.38Å; C80-N83 PolarHBondContact O-N 2.84Å; N83-N86 PolarHBondContact O-N 3.27Å; N83-D87 PolarHBondContact O-N 3.2Å |
| 84 | I | 61.1 | Low | 59.4 | Low | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 177.6 | -73 | 168 | 0 | 0 | 0 | 112.3 | C80 L81 M82 N86 D87 M88 Y206 K209 F210 | C80-I84 WeakPolarHBondContact O-CG1 3.46Å; C80-I84 PolarHBondContact O-N 3.43Å; L81-I84 PolarHBondContact O-N 2.78Å; M82-I84 VanDerWaalsContact C-N 3.31Å; M82-I84 PolarHBondContact O-N 3.31Å; I84-N86 VanDerWaalsContact C-N 3.26Å; I84-N86 PolarHBondContact O-N 3.35Å; I84-D87 PolarHBondContact O-N 3.38Å; I84-M88 HydrophobicContact CG2-CE 3.66Å; I84-M88 HydrophobicContact CG2-CG 4.48Å; I84-M88 HydrophobicContact CG2-SD 4.28Å; I84-M88 WeakPolarHBondContact O-CB 3.36Å; I84-M88 WeakPolarHBondContact O-CG 3.32Å; I84-M88 PolarHBondContact O-N 2.82Å; I84-Y206 HydrophobicContact CG2-CD1 3.69Å; I84-Y206 HydrophobicContact CG2-CE1 4.5Å; I84-Y206 HydrophobicContact CG2-CG 4.09Å; I84-K209 HydrophobicContact CD1-CB 4.46Å; I84-K209 HydrophobicContact CG1-CB 4.45Å; I84-K209 HydrophobicContact CG1-CD 4.4Å; I84-K209 HydrophobicContact CG1-CG 4.3Å; I84-F210 VanDerWaalsContact CD1-CA 3.47Å; I84-F210 HydrophobicContact CD1-CB 3.44Å; I84-F210 VanDerWaalsContact CD1-CB 3.44Å; I84-F210 HydrophobicContact CD1-CD2 3.85Å; I84-F210 HydrophobicContact CD1-CG 4.13Å |
| 85 | G | 57.5 | Low | 58.9 | Low | 13 Ų | 13 | 35.1 Ų | 35.1 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L81 M82 M88 A89 | L81-G85 PolarHBondContact O-N 3Å; M82-G85 PolarHBondContact O-N 2.84Å; G85-M88 PolarHBondContact O-N 3.1Å; G85-A89 WeakPolarHBondContact O-CB 3.17Å; G85-A89 PolarHBondContact O-N 3.22Å |
| 86 | N | 59.3 | Low | 58.1 | Low | 31 Ų | 31 | 30.2 Ų | 30.2 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 174.5 | -74.8 | -20.8 | 0 | 0 | 0 | 112.1 | M82 N83 I84 A89 D90 | M82-N86 WeakPolarHBondContact O-CB 3.17Å; M82-N86 VanDerWaalsContact O-CG 3.26Å; M82-N86 PolarHBondContact O-N 2.56Å; M82-N86 PolarHBondContact O-ND2 2.98Å; N83-N86 PolarHBondContact O-N 3.27Å; I84-N86 VanDerWaalsContact C-N 3.26Å; I84-N86 PolarHBondContact O-N 3.35Å; N86-A89 PolarHBondContact O-N 3.44Å; N86-D90 VanDerWaalsContact O-CB 3.25Å; N86-D90 WeakPolarHBondContact O-CB 3.14Å; N86-D90 PolarHBondContact O-N 3.24Å |
| 87 | D | 61.5 | Low | 57.2 | Low | 51 Ų | 51 | 28.4 Ų | 28.4 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.7 | -69 | -58.4 | 0 | 0 | 0 | 112.5 | N83 I84 D90 S91 Y206 K209 | N83-D87 PolarHBondContact O-N 3.2Å; I84-D87 PolarHBondContact O-N 3.38Å; D87-D90 PolarHBondContact O-N 3.37Å; D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.48Å; D87-S91 PolarHBondContact O-N 2.84Å; D87-Y206 HydrophobicContact CB-CE1 4.11Å; D87-K209 IonicContact OD1-NZ 3.1Å; D87-K209 PolarHBondContact OD1-NZ 2.89Å; D87-K209 WeakPolarHBondContact OD2-CE 3.19Å; D87-K209 IonicContact OD2-NZ 2.84Å; D87-K209 PolarHBondContact OD2-NZ 3.08Å |
| 88 | M | 57.9 | Low | 56.6 | Low | 17 Ų | 17 | 35.9 Ų | 35.9 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 172.9 | -75.2 | 176.8 | -177.4 | 0 | 0 | 110.1 | I84 G85 S91 V92 Y206 I230 | I84-M88 HydrophobicContact CG2-CE 3.66Å; I84-M88 HydrophobicContact CG2-CG 4.48Å; I84-M88 HydrophobicContact CG2-SD 4.28Å; I84-M88 WeakPolarHBondContact O-CB 3.36Å; I84-M88 WeakPolarHBondContact O-CG 3.32Å; I84-M88 PolarHBondContact O-N 2.82Å; G85-M88 PolarHBondContact O-N 3.1Å; M88-S91 PolarHBondContact O-N 3.48Å; M88-V92 WeakPolarHBondContact O-CG2 3.41Å; M88-V92 PolarHBondContact O-N 2.89Å; M88-V92 VanDerWaalsContact O-N 3.09Å; M88-Y206 WeakPolarHBondContact CA-OH 3.46Å; M88-Y206 HydrophobicContact CB-CE1 4.48Å; M88-Y206 HydrophobicContact CE-CD1 3.9Å; M88-Y206 HydrophobicContact CE-CD2 3.28Å; M88-Y206 HydrophobicContact CE-CE1 4.41Å; M88-Y206 HydrophobicContact CE-CE2 3.85Å; M88-Y206 HydrophobicContact CE-CG 3.29Å; M88-Y206 HydrophobicContact CG-CD1 3.97Å; M88-Y206 HydrophobicContact CG-CD2 3.9Å; M88-Y206 HydrophobicContact CG-CE1 3.53Å; M88-Y206 HydrophobicContact CG-CE2 3.43Å; M88-Y206 VanDerWaalsContact CG-CE2 3.43Å; M88-Y206 HydrophobicContact CG-CG 4.13Å; M88-Y206 HydrophobicContact SD-CD2 4.39Å; M88-Y206 HydrophobicContact SD-CE2 4.41Å; M88-I230 HydrophobicContact CE-CG2 3.92Å |
| 89 | A | 54.4 | Low | 55.7 | Low | 10 Ų | 10 | 37.2 Ų | 37.2 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G85 N86 S91 V92 L93 F115 | G85-A89 WeakPolarHBondContact O-CB 3.17Å; G85-A89 PolarHBondContact O-N 3.22Å; N86-A89 PolarHBondContact O-N 3.44Å; A89-S91 PolarHBondContact O-N 3.02Å; A89-V92 PolarHBondContact O-N 3.44Å; A89-L93 HydrophobicContact CB-CD1 4.23Å; A89-L93 WeakPolarHBondContact O-CB 3.49Å; A89-L93 WeakPolarHBondContact O-CD1 3.44Å; A89-L93 WeakPolarHBondContact O-CG 3.32Å; A89-L93 PolarHBondContact O-N 2.61Å; A89-F115 HydrophobicContact CB-CE2 3.92Å; A89-F115 HydrophobicContact CB-CZ 4.24Å |
| 90 | D | 57 | Low | 54.7 | Low | 41 Ų | 41 | 32.9 Ų | 32.9 | 22% | 0.219 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 179.6 | -84.5 | -12.3 | 0 | 0 | 0 | 112.2 | N86 D87 V92 N94 K112 | N86-D90 VanDerWaalsContact O-CB 3.25Å; N86-D90 WeakPolarHBondContact O-CB 3.14Å; N86-D90 PolarHBondContact O-N 3.24Å; D87-D90 PolarHBondContact O-N 3.37Å; D90-V92 PolarHBondContact O-N 2.83Å; D90-N94 WeakPolarHBondContact O-CB 3.4Å; D90-N94 PolarHBondContact O-N 3.28Å; D90-N94 PolarHBondContact O-ND2 3.39Å; D90-K112 WeakPolarHBondContact OD1-CE 3.5Å; D90-K112 IonicContact OD1-NZ 2.96Å; D90-K112 PolarHBondContact OD1-NZ 2.94Å; D90-K112 IonicContact OD2-NZ 3.69Å; D90-K112 PolarHBondContact OD2-NZ 3.47Å; D90-K112 VanDerWaalsContact OD2-NZ 3.1Å |
| 91 | S | 57.6 | Low | 53.7 | Low | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 111 | D87 M88 A89 T95 | D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.48Å; D87-S91 PolarHBondContact O-N 2.84Å; M88-S91 PolarHBondContact O-N 3.48Å; A89-S91 PolarHBondContact O-N 3.02Å; S91-T95 WeakPolarHBondContact O-CB 3.49Å; S91-T95 PolarHBondContact O-N 3.02Å; S91-T95 VanDerWaalsContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 3.43Å |
| 92 | V | 51.6 | Low | 53.1 | Low | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74 | -45.8 | -179.1 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | L13 M88 A89 D90 N94 T95 L96 A196 | L13-V92 HydrophobicContact CD1-CG1 4.31Å; L13-V92 HydrophobicContact CD2-CB 3.7Å; L13-V92 HydrophobicContact CD2-CG1 3.13Å; L13-V92 HydrophobicContact CG-CG1 4.36Å; M88-V92 WeakPolarHBondContact O-CG2 3.41Å; M88-V92 PolarHBondContact O-N 2.89Å; M88-V92 VanDerWaalsContact O-N 3.09Å; A89-V92 PolarHBondContact O-N 3.44Å; D90-V92 PolarHBondContact O-N 2.83Å; V92-N94 PolarHBondContact O-N 3.01Å; V92-T95 WeakPolarHBondContact O-CB 3.27Å; V92-T95 PolarHBondContact O-N 2.93Å; V92-T95 VanDerWaalsContact O-N 3.08Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 HydrophobicContact CG1-CG 4.14Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.25Å; V92-A196 HydrophobicContact CG1-CB 4.18Å |
| 93 | L | 51 | Low | 52.2 | Low | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 176.7 | -70.3 | 170.6 | 0 | 0 | 0 | 112.2 | V12 T16 A89 T95 L96 A97 V108 | V12-L93 HydrophobicContact CG1-CD1 4.44Å; V12-L93 HydrophobicContact CG1-CD2 3.94Å; T16-L93 HydrophobicContact CG2-CD2 3.61Å; T16-L93 WeakPolarHBondContact OG1-CD2 3.44Å; A89-L93 HydrophobicContact CB-CD1 4.23Å; A89-L93 WeakPolarHBondContact O-CB 3.49Å; A89-L93 WeakPolarHBondContact O-CD1 3.44Å; A89-L93 WeakPolarHBondContact O-CG 3.32Å; A89-L93 PolarHBondContact O-N 2.61Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 2.94Å; L93-L96 PolarHBondContact O-N 2.92Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.04Å; L93-V108 HydrophobicContact CD1-CG1 4.33Å |
| 94 | N | 53.8 | Low | 51.4 | Low | 91 Ų | 91 | 50.9 Ų | 50.9 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.7 | -32.9 | 176.9 | -75 | -43.5 | 0 | 0 | 0 | 112.1 | D90 V92 K98 | D90-N94 WeakPolarHBondContact O-CB 3.4Å; D90-N94 PolarHBondContact O-N 3.28Å; D90-N94 PolarHBondContact O-ND2 3.39Å; V92-N94 PolarHBondContact O-N 3.01Å; N94-K98 VanDerWaalsContact O-CG 3.25Å; N94-K98 WeakPolarHBondContact O-CG 3.23Å; N94-K98 PolarHBondContact O-N 3.1Å; N94-K98 VanDerWaalsContact O-N 3.12Å |
| 95 | T | 51 | Low | 50.9 | Low | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.19 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.5 | -51.5 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | S91 V92 L93 A97 K98 A99 E195 | S91-T95 WeakPolarHBondContact O-CB 3.49Å; S91-T95 PolarHBondContact O-N 3.02Å; S91-T95 VanDerWaalsContact O-N 3.16Å; S91-T95 PolarHBondContact O-OG1 3.43Å; V92-T95 WeakPolarHBondContact O-CB 3.27Å; V92-T95 PolarHBondContact O-N 2.93Å; V92-T95 VanDerWaalsContact O-N 3.08Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 2.94Å; T95-A97 VanDerWaalsContact C-N 3.31Å; T95-A97 PolarHBondContact O-N 3.02Å; T95-K98 WeakPolarHBondContact O-CB 3.39Å; T95-K98 PolarHBondContact O-N 3.46Å; T95-K98 VanDerWaalsContact O-N 3.08Å; T95-A99 PolarHBondContact O-N 3.38Å; T95-E195 HydrophobicContact CG2-CB 3.79Å; T95-E195 HydrophobicContact CG2-CG 4.45Å |
| 96 | L | 46.6 | Very low | 50.5 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 176.2 | -61.8 | 171.3 | 0 | 0 | 0 | 112.2 | L13 I17 V92 L93 K98 A99 A100 L192 | L13-L96 HydrophobicContact CB-CD1 4.41Å; L13-L96 HydrophobicContact CD2-CD1 3.31Å; L13-L96 HydrophobicContact CG-CD1 4.47Å; I17-L96 HydrophobicContact CD1-CD1 4.01Å; I17-L96 HydrophobicContact CD1-CD2 4.15Å; I17-L96 HydrophobicContact CG1-CD1 3.9Å; I17-L96 HydrophobicContact CG1-CD2 4.14Å; I17-L96 HydrophobicContact CG1-CG 4.46Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 HydrophobicContact CG1-CG 4.14Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.25Å; L93-L96 PolarHBondContact O-N 2.92Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.2Å; L96-A99 WeakPolarHBondContact O-CB 3.42Å; L96-A99 PolarHBondContact O-N 3.07Å; L96-A99 VanDerWaalsContact O-N 3.15Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 3.03Å; L96-L192 HydrophobicContact CD2-CB 3.93Å; L96-L192 HydrophobicContact CD2-CD2 3.34Å; L96-L192 HydrophobicContact CD2-CG 4.15Å |
| 97 | A | 47.8 | Very low | 49.7 | Very low | 22 Ų | 22 | 58.5 Ų | 58.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -35.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L93 T95 N101 C103 | L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.04Å; T95-A97 VanDerWaalsContact C-N 3.31Å; T95-A97 PolarHBondContact O-N 3.02Å; A97-N101 PolarHBondContact O-N 2.82Å; A97-N101 VanDerWaalsContact O-N 3.13Å; A97-C103 WeakPolarHBondContact CA-SG 3.35Å; A97-C103 HydrophobicContact CB-CB 3.86Å; A97-C103 WeakPolarHBondContact CB-SG 3.36Å |
| 98 | K | 50.1 | Low | 49 | Very low | 165 Ų | 165 | 57.2 Ų | 57.2 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.8 | -38.8 | 172.3 | -74.6 | 169.6 | -177.9 | 176.2 | 0 | 111.2 | N94 T95 L96 | N94-K98 VanDerWaalsContact O-CG 3.25Å; N94-K98 WeakPolarHBondContact O-CG 3.23Å; N94-K98 PolarHBondContact O-N 3.1Å; N94-K98 VanDerWaalsContact O-N 3.12Å; T95-K98 WeakPolarHBondContact O-CB 3.39Å; T95-K98 PolarHBondContact O-N 3.46Å; T95-K98 VanDerWaalsContact O-N 3.08Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.2Å |
| 99 | A | 41.8 | Very low | 48.7 | Very low | 42 Ų | 42 | 60.8 Ų | 60.8 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | T95 L96 N101 L192 E195 | T95-A99 PolarHBondContact O-N 3.38Å; L96-A99 WeakPolarHBondContact O-CB 3.42Å; L96-A99 PolarHBondContact O-N 3.07Å; L96-A99 VanDerWaalsContact O-N 3.15Å; A99-N101 VanDerWaalsContact C-N 3.3Å; A99-N101 PolarHBondContact O-N 3.14Å; A99-L192 HydrophobicContact CB-CD2 4.13Å; A99-E195 WeakPolarHBondContact CB-OE2 3.35Å |
| 100 | A | 42 | Very low | 48.3 | Very low | 5 Ų | 5 | 63.9 Ų | 63.9 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | T20 P22 L96 E102 | T20-A100 WeakPolarHBondContact O-CB 3.31Å; T20-A100 WeakPolarHBondContact OG1-CB 3.1Å; P22-A100 VanDerWaalsContact CD-O 3.31Å; P22-A100 WeakPolarHBondContact CD-O 3.41Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 3.03Å; A100-E102 PolarHBondContact O-N 3.43Å |
| 101 | N | 43.6 | Very low | 47.6 | Very low | 130 Ų | 130 | 62.2 Ų | 62.2 | 70% | 0.695 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 57.1 | -9.5 | 176.8 | -101.5 | -17.1 | 0 | 0 | 0 | 119.2 | A97 A99 | A97-N101 PolarHBondContact O-N 2.82Å; A97-N101 VanDerWaalsContact O-N 3.13Å; A99-N101 VanDerWaalsContact C-N 3.3Å; A99-N101 PolarHBondContact O-N 3.14Å |
| 102 | E | 48.4 | Very low | 47.1 | Very low | 175 Ų | 175 | 63.8 Ų | 63.8 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | trans | -167.4 | 79.7 | 174.6 | -107.4 | 161 | -141.9 | 0 | 0 | 111.1 | A100 | A100-E102 PolarHBondContact O-N 3.43Š| ||
| 103 | C | 39.7 | Very low | 47 | Very low | 34 Ų | 34 | 69.8 Ų | 69.8 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | trans | -77 | 121.5 | 166 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | T20 A97 S105 | T20-C103 VanDerWaalsContact CB-SG 3.5Å; T20-C103 HydrophobicContact CG2-CB 3.83Å; T20-C103 WeakPolarHBondContact CG2-SG 3.16Å; T20-C103 PolarHBondContact OG1-SG 2.87Å; A97-C103 WeakPolarHBondContact CA-SG 3.35Å; A97-C103 HydrophobicContact CB-CB 3.86Å; A97-C103 WeakPolarHBondContact CB-SG 3.36Å; C103-S105 PolarHBondContact O-N 3.27Å | ||
| 104 | E | 46 | Very low | 46.5 | Very low | 155 Ų | 155 | 74.4 Ų | 74.4 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | trans | -68.7 | 129.8 | 165.8 | -77.2 | -168.1 | 173.5 | 0 | 0 | 110.3 | G106 E107 | E104-G106 PolarHBondContact O-N 3.21Å; E104-E107 PolarHBondContact O-N 3.29Å | ||
| 105 | S | 51.4 | Low | 46 | Very low | 92 Ų | 92 | 70.8 Ų | 70.8 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -54.3 | -20.8 | -175.3 | 62.8 | 0 | 0 | 0 | 0 | 115.9 | C103 E107 N109 | C103-S105 PolarHBondContact O-N 3.27Å; S105-E107 PolarHBondContact O-N 3.17Å; S105-N109 PolarHBondContact O-N 2.91Å; S105-N109 PolarHBondContact O-ND2 3.13Å; S105-N109 VanDerWaalsContact O-ND2 3.13Å |
| 106 | G | 47.4 | Very low | 45.9 | Very low | 40 Ų | 40 | 73.4 Ų | 73.4 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.9 | -32.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E104 N109 T110 | E104-G106 PolarHBondContact O-N 3.21Å; G106-N109 PolarHBondContact O-N 3.4Å; G106-T110 PolarHBondContact O-N 3.36Å; G106-T110 VanDerWaalsContact O-N 3.13Å; G106-T110 PolarHBondContact O-OG1 3.09Å; G106-T110 VanDerWaalsContact O-OG1 3.08Å |
| 107 | E | 43.7 | Very low | 46.1 | Very low | 77 Ų | 77 | 79.2 Ų | 79.2 | 36% | 0.36 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -81 | -40.3 | -176.4 | -67.3 | 158.4 | 159 | 0 | 0 | 110.8 | S19 E104 S105 N109 T110 A111 | S19-E107 WeakPolarHBondContact CB-OE1 3.28Å; S19-E107 WeakPolarHBondContact CB-OE2 3.41Å; S19-E107 PolarHBondContact OG-OE2 3.08Å; E104-E107 PolarHBondContact O-N 3.29Å; S105-E107 PolarHBondContact O-N 3.17Å; E107-N109 PolarHBondContact O-N 3.45Å; E107-T110 WeakPolarHBondContact O-CB 3.45Å; E107-T110 PolarHBondContact O-N 3.37Å; E107-A111 PolarHBondContact O-N 3.35Å; E107-A111 VanDerWaalsContact O-N 3.09Å |
| 108 | V | 47 | Very low | 46.1 | Very low | 25 Ų | 25 | 79.8 Ų | 79.8 | 15% | 0.152 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.9 | -41.8 | 167.2 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L93 T110 A111 K112 | L93-V108 HydrophobicContact CD1-CG1 4.33Å; V108-T110 PolarHBondContact O-N 3.08Å; V108-A111 WeakPolarHBondContact O-CB 3.19Å; V108-A111 PolarHBondContact O-N 3.49Å; V108-K112 HydrophobicContact CG1-CD 4.32Å; V108-K112 VanDerWaalsContact O-CG 3.31Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.03Å; V108-K112 VanDerWaalsContact O-N 3.08Å |
| 109 | N | 50.7 | Low | 46.1 | Very low | 91 Ų | 91 | 73.8 Ų | 73.8 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.1 | -31.4 | 177.3 | -70.5 | -26.1 | 0 | 0 | 0 | 113.5 | S105 G106 E107 K112 R113 | S105-N109 PolarHBondContact O-N 2.91Å; S105-N109 PolarHBondContact O-ND2 3.13Å; S105-N109 VanDerWaalsContact O-ND2 3.13Å; G106-N109 PolarHBondContact O-N 3.4Å; E107-N109 PolarHBondContact O-N 3.45Å; N109-K112 PolarHBondContact O-N 3.36Å; N109-R113 PolarHBondContact O-N 3.17Å |
| 110 | T | 47.3 | Very low | 46.6 | Very low | 76 Ų | 76 | 74.4 Ų | 74.4 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | G106 E107 V108 R113 Y114 | G106-T110 PolarHBondContact O-N 3.36Å; G106-T110 VanDerWaalsContact O-N 3.13Å; G106-T110 PolarHBondContact O-OG1 3.09Å; G106-T110 VanDerWaalsContact O-OG1 3.08Å; E107-T110 WeakPolarHBondContact O-CB 3.45Å; E107-T110 PolarHBondContact O-N 3.37Å; V108-T110 PolarHBondContact O-N 3.08Å; T110-R113 PolarHBondContact O-N 3.3Å; T110-Y114 PolarHBondContact O-N 3.48Å |
| 111 | A | 42.3 | Very low | 47.4 | Very low | 6 Ų | 6 | 77.1 Ų | 77.1 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | V12 E107 V108 R113 Y114 F115 | V12-A111 HydrophobicContact CB-CB 4.09Å; V12-A111 HydrophobicContact CG1-CB 3.3Å; V12-A111 HydrophobicContact CG2-CB 3.58Å; E107-A111 PolarHBondContact O-N 3.35Å; E107-A111 VanDerWaalsContact O-N 3.09Å; V108-A111 WeakPolarHBondContact O-CB 3.19Å; V108-A111 PolarHBondContact O-N 3.49Å; A111-R113 PolarHBondContact O-N 2.88Å; A111-Y114 PolarHBondContact O-N 3.43Å; A111-F115 PolarHBondContact O-N 2.94Å |
| 112 | K | 46.5 | Very low | 48.1 | Very low | 62 Ų | 62 | 75.8 Ų | 75.8 | 27% | 0.27 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 178.1 | -73.9 | 178 | -178.2 | -155.5 | 0 | 112.5 | D90 V108 N109 Y114 F115 D116 | D90-K112 WeakPolarHBondContact OD1-CE 3.5Å; D90-K112 IonicContact OD1-NZ 2.96Å; D90-K112 PolarHBondContact OD1-NZ 2.94Å; D90-K112 IonicContact OD2-NZ 3.69Å; D90-K112 PolarHBondContact OD2-NZ 3.47Å; D90-K112 VanDerWaalsContact OD2-NZ 3.1Å; V108-K112 HydrophobicContact CG1-CD 4.32Å; V108-K112 VanDerWaalsContact O-CG 3.31Å; V108-K112 WeakPolarHBondContact O-CG 3.35Å; V108-K112 PolarHBondContact O-N 3.03Å; V108-K112 VanDerWaalsContact O-N 3.08Å; N109-K112 PolarHBondContact O-N 3.36Å; K112-Y114 PolarHBondContact O-N 3.3Å; K112-Y114 VanDerWaalsContact O-N 3.16Å; K112-F115 WeakPolarHBondContact O-CB 3.45Å; K112-F115 PolarHBondContact O-N 3.18Å; K112-F115 VanDerWaalsContact O-N 3.13Å; K112-D116 PolarHBondContact O-N 3.39Å; K112-D116 VanDerWaalsContact O-N 3.16Å |
| 113 | R | 48.8 | Very low | 48.5 | Very low | 143 Ų | 143 | 68.5 Ų | 68.5 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.2 | -35.6 | -178.4 | -179.2 | 172.9 | 59.9 | 143.1 | -1.6 | 112.7 | N109 T110 A111 D116 E117 | N109-R113 PolarHBondContact O-N 3.17Å; T110-R113 PolarHBondContact O-N 3.3Å; A111-R113 PolarHBondContact O-N 2.88Å; R113-D116 PolarHBondContact O-N 3.44Å; R113-E117 WeakPolarHBondContact CD-OE1 3.11Å; R113-E117 HydrophobicContact CG-CG 4.19Å; R113-E117 VanDerWaalsContact CG-OE1 3.26Å; R113-E117 WeakPolarHBondContact CG-OE1 3.28Å; R113-E117 WeakPolarHBondContact O-CB 2.93Å; R113-E117 WeakPolarHBondContact O-CG 3.45Å; R113-E117 PolarHBondContact O-N 3.46Å |
| 114 | Y | 41.1 | Very low | 49.2 | Very low | 99 Ų | 99 | 67.3 Ų | 67.3 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.3 | -29.5 | -176.9 | -149 | -85.1 | 0 | 0 | 0 | 112.8 | F8 T110 A111 K112 D116 N118 | F8-Y114 HydrophobicContact CD1-CD1 4.05Å; F8-Y114 AromaticContact CD2-CD1 3.42Å; F8-Y114 HydrophobicContact CD2-CD1 3.42Å; F8-Y114 VanDerWaalsContact CD2-CD1 3.42Å; F8-Y114 AromaticContact CD2-CE1 3.61Å; F8-Y114 HydrophobicContact CD2-CE1 3.61Å; F8-Y114 HydrophobicContact CD2-CG 4.13Å; F8-Y114 AromaticContact CE1-CD1 3.78Å; F8-Y114 HydrophobicContact CE1-CD1 3.78Å; F8-Y114 AromaticContact CE1-CG 3.84Å; F8-Y114 HydrophobicContact CE1-CG 3.84Å; F8-Y114 AromaticContact CE2-CD1 3.13Å; F8-Y114 HydrophobicContact CE2-CD1 3.13Å; F8-Y114 AromaticContact CE2-CD2 3.92Å; F8-Y114 HydrophobicContact CE2-CD2 3.92Å; F8-Y114 AromaticContact CE2-CE1 3.53Å; F8-Y114 HydrophobicContact CE2-CE1 3.53Å; F8-Y114 HydrophobicContact CE2-CE2 4.26Å; F8-Y114 AromaticContact CE2-CG 3.35Å; F8-Y114 HydrophobicContact CE2-CG 3.35Å; F8-Y114 AromaticContact CG-CD1 3.89Å; F8-Y114 HydrophobicContact CG-CD1 3.89Å; F8-Y114 HydrophobicContact CG-CE1 4.36Å; F8-Y114 AromaticContact CZ-CD1 3.35Å; F8-Y114 HydrophobicContact CZ-CD1 3.35Å; F8-Y114 AromaticContact CZ-CD2 3.97Å; F8-Y114 HydrophobicContact CZ-CD2 3.97Å; F8-Y114 HydrophobicContact CZ-CE1 4.22Å; F8-Y114 AromaticContact CZ-CG 3.2Å; F8-Y114 HydrophobicContact CZ-CG 3.2Å; T110-Y114 PolarHBondContact O-N 3.48Å; A111-Y114 PolarHBondContact O-N 3.43Å; K112-Y114 PolarHBondContact O-N 3.3Å; K112-Y114 VanDerWaalsContact O-N 3.16Å; Y114-D116 VanDerWaalsContact C-N 3.34Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.12Å; Y114-N118 VanDerWaalsContact CE1-ND2 3.32Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.48Å; Y114-N118 WeakPolarHBondContact O-CB 3.24Å; Y114-N118 PolarHBondContact O-N 2.78Å; Y114-N118 PolarHBondContact O-ND2 3.35Å |
| 115 | F | 43.7 | Very low | 49.8 | Very low | 16 Ų | 16 | 61.7 Ų | 61.7 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 166.3 | -92.2 | -84.4 | 0 | 0 | 0 | 110.8 | F8 V9 A89 A111 K112 E117 | F8-F115 HydrophobicContact CD1-CD2 4.24Å; F8-F115 HydrophobicContact CD1-CE2 4.22Å; F8-F115 HydrophobicContact CE1-CD2 4.28Å; V9-F115 HydrophobicContact CG2-CE1 4.35Å; V9-F115 HydrophobicContact CG2-CE2 4.17Å; V9-F115 HydrophobicContact CG2-CZ 3.43Å; V9-F115 VanDerWaalsContact CG2-CZ 3.43Å; A89-F115 HydrophobicContact CB-CE2 3.92Å; A89-F115 HydrophobicContact CB-CZ 4.24Å; A111-F115 PolarHBondContact O-N 2.94Å; K112-F115 WeakPolarHBondContact O-CB 3.45Å; K112-F115 PolarHBondContact O-N 3.18Å; K112-F115 VanDerWaalsContact O-N 3.13Å; F115-E117 PolarHBondContact O-N 3.38Å |
| 116 | D | 48.9 | Very low | 50.1 | Low | 86 Ų | 86 | 57.8 Ų | 57.8 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -179.4 | -66.3 | -22.1 | 0 | 0 | 0 | 112.5 | M82 K112 R113 Y114 | M82-D116 HydrophobicContact CE-CB 4.28Å; M82-D116 VanDerWaalsContact CE-OD1 3.26Å; M82-D116 WeakPolarHBondContact CE-OD1 3.39Å; K112-D116 PolarHBondContact O-N 3.39Å; K112-D116 VanDerWaalsContact O-N 3.16Å; R113-D116 PolarHBondContact O-N 3.44Å; Y114-D116 VanDerWaalsContact C-N 3.34Å |
| 117 | E | 50.1 | Low | 50.6 | Low | 123 Ų | 123 | 56.4 Ų | 56.4 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -82.2 | -19.6 | -172.9 | -74.9 | 177.4 | -176.9 | 0 | 0 | 115 | R113 F115 | R113-E117 WeakPolarHBondContact CD-OE1 3.11Å; R113-E117 HydrophobicContact CG-CG 4.19Å; R113-E117 VanDerWaalsContact CG-OE1 3.26Å; R113-E117 WeakPolarHBondContact CG-OE1 3.28Å; R113-E117 WeakPolarHBondContact O-CB 2.93Å; R113-E117 WeakPolarHBondContact O-CG 3.45Å; R113-E117 PolarHBondContact O-N 3.46Å; F115-E117 PolarHBondContact O-N 3.38Å |
| 118 | N | 46.9 | Very low | 51.3 | Low | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -121.4 | 12.8 | -164 | -64.5 | -79.7 | 0 | 0 | 0 | 116 | Y114 | Y114-N118 WeakPolarHBondContact CD1-ND2 3.12Å; Y114-N118 VanDerWaalsContact CE1-ND2 3.32Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.48Å; Y114-N118 WeakPolarHBondContact O-CB 3.24Å; Y114-N118 PolarHBondContact O-N 2.78Å; Y114-N118 PolarHBondContact O-ND2 3.35Å | ||
| 119 | L | 50.3 | Low | 52 | Low | 39 Ų | 39 | 52.8 Ų | 52.8 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | trans | -81.3 | 117.3 | 173.8 | -96.9 | 155.3 | 0 | 0 | 0 | 111.4 | M1 M82 E121 | M1-L119 HydrophobicContact CG-CD2 3.5Å; M1-L119 HydrophobicContact SD-CD2 3.55Å; M1-L119 VanDerWaalsContact SD-CD2 3.55Å; M82-L119 HydrophobicContact CB-CD1 4.31Å; M82-L119 HydrophobicContact CG-CD1 3.31Å; M82-L119 HydrophobicContact SD-CD1 4.49Å; L119-E121 PolarHBondContact O-N 3.18Å | ||
| 120 | E | 53.4 | Low | 52.4 | Low | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | trans | -82.8 | 103.2 | 178.9 | -73.9 | -176.8 | -158.6 | 0 | 0 | 111 | R4 F50 E122 A123 | R4-E120 IonicContact NH1-OE1 3.24Å; R4-E120 PolarHBondContact NH1-OE1 3.37Å; F50-E120 WeakPolarHBondContact CB-OE2 3.01Å; F50-E120 HydrophobicContact CD1-CB 4.46Å; F50-E120 WeakPolarHBondContact CD1-OE2 3.01Å; F50-E120 WeakPolarHBondContact CD2-OE2 3.18Å; F50-E120 HydrophobicContact CE1-CB 4.14Å; F50-E120 HydrophobicContact CE2-CG 4.43Å; F50-E120 WeakPolarHBondContact CG-OE2 3.37Å; F50-E120 HydrophobicContact CZ-CB 4.18Å; E120-E122 PolarHBondContact O-N 3.45Å; E120-E122 VanDerWaalsContact O-N 3.17Å; E120-A123 PolarHBondContact O-N 3.5Å | ||
| 121 | E | 57.6 | Low | 53 | Low | 63 Ų | 63 | 47.3 Ų | 47.3 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.5 | -29.8 | 176.8 | -161.7 | -169.5 | 163.6 | 0 | 0 | 112.5 | V78 L119 V124 K125 | V78-E121 HydrophobicContact CG2-CG 4.11Å; L119-E121 PolarHBondContact O-N 3.18Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-K125 VanDerWaalsContact CD-CE 3.49Å; E121-K125 HydrophobicContact CG-CD 4.4Å; E121-K125 WeakPolarHBondContact O-CG 3.27Å; E121-K125 PolarHBondContact O-N 2.85Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.72Å; E121-K125 PolarHBondContact OE1-NZ 2.8Å; E121-K125 IonicContact OE2-NZ 3.39Å; E121-K125 PolarHBondContact OE2-NZ 3.09Å |
| 122 | E | 59.1 | Low | 54 | Low | 101 Ų | 101 | 50.7 Ų | 50.7 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -41 | -174.1 | -169.5 | 163.3 | 178.3 | 0 | 0 | 113.4 | E120 V124 K125 L126 | E120-E122 PolarHBondContact O-N 3.45Å; E120-E122 VanDerWaalsContact O-N 3.17Å; E122-V124 VanDerWaalsContact C-N 3.29Å; E122-V124 PolarHBondContact O-N 2.81Å; E122-K125 WeakPolarHBondContact O-CB 3.44Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 WeakPolarHBondContact O-CG 3.16Å; E122-L126 PolarHBondContact O-N 3.15Å |
| 123 | A | 55.7 | Low | 54.9 | Low | 23 Ų | 23 | 53 Ų | 53 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F50 E120 G127 | F50-A123 HydrophobicContact CD1-CB 3.77Å; F50-A123 HydrophobicContact CE1-CB 3.62Å; E120-A123 PolarHBondContact O-N 3.5Å; A123-G127 PolarHBondContact O-N 3.44Å |
| 124 | V | 56.2 | Low | 55.8 | Low | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | M1 V78 L81 E121 E122 L126 G127 I128 | M1-V124 HydrophobicContact CE-CG2 3.31Å; V78-V124 HydrophobicContact CG2-CB 3.82Å; V78-V124 HydrophobicContact CG2-CG1 3.94Å; V78-V124 HydrophobicContact CG2-CG2 3.81Å; L81-V124 HydrophobicContact CD1-CG2 4.37Å; E121-V124 PolarHBondContact O-N 2.88Å; E122-V124 VanDerWaalsContact C-N 3.29Å; E122-V124 PolarHBondContact O-N 2.81Å; V124-L126 PolarHBondContact O-N 3.38Å; V124-G127 PolarHBondContact O-N 2.76Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.41Å; V124-I128 WeakPolarHBondContact O-CG1 3.46Å; V124-I128 PolarHBondContact O-N 2.74Å |
| 125 | K | 57.2 | Low | 57.1 | Low | 37 Ų | 37 | 47.2 Ų | 47.2 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.4 | -50 | 174.9 | -74.3 | 171.7 | 177.2 | 166.2 | 0 | 111.8 | A69 A74 E121 E122 G127 I128 A129 | A69-K125 HydrophobicContact CB-CB 4.12Å; A69-K125 HydrophobicContact CB-CG 4.24Å; A74-K125 HydrophobicContact CB-CD 4.46Å; A74-K125 HydrophobicContact CB-CG 3.54Å; E121-K125 VanDerWaalsContact CD-CE 3.49Å; E121-K125 HydrophobicContact CG-CD 4.4Å; E121-K125 WeakPolarHBondContact O-CG 3.27Å; E121-K125 PolarHBondContact O-N 2.85Å; E121-K125 WeakPolarHBondContact OE1-CE 3.27Å; E121-K125 IonicContact OE1-NZ 2.72Å; E121-K125 PolarHBondContact OE1-NZ 2.8Å; E121-K125 IonicContact OE2-NZ 3.39Å; E121-K125 PolarHBondContact OE2-NZ 3.09Å; E122-K125 WeakPolarHBondContact O-CB 3.44Å; E122-K125 PolarHBondContact O-N 2.86Å; K125-G127 VanDerWaalsContact C-N 3.31Å; K125-G127 PolarHBondContact O-N 3.26Å; K125-I128 PolarHBondContact O-N 3.39Å; K125-A129 VanDerWaalsContact O-CB 3.31Å; K125-A129 WeakPolarHBondContact O-CB 3.46Å; K125-A129 PolarHBondContact O-N 3.36Å |
| 126 | L | 57.4 | Low | 58.4 | Low | 9 Ų | 9 | 46.7 Ų | 46.7 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 177.7 | -69.4 | 170.6 | 0 | 0 | 0 | 111.6 | S54 F57 L65 E122 V124 A129 F130 | S54-L126 WeakPolarHBondContact OG-CD1 3.35Å; F57-L126 HydrophobicContact CB-CD1 4.4Å; F57-L126 HydrophobicContact CB-CD2 3.96Å; F57-L126 HydrophobicContact CD1-CD2 4.46Å; F57-L126 HydrophobicContact CD2-CB 3.83Å; F57-L126 HydrophobicContact CD2-CD1 3.71Å; F57-L126 HydrophobicContact CD2-CD2 4.24Å; F57-L126 HydrophobicContact CD2-CG 4.14Å; F57-L126 HydrophobicContact CE1-CB 4.45Å; F57-L126 HydrophobicContact CE2-CB 3.76Å; F57-L126 HydrophobicContact CE2-CD1 4.32Å; F57-L126 HydrophobicContact CG-CB 4.24Å; F57-L126 HydrophobicContact CG-CD1 4.23Å; F57-L126 HydrophobicContact CG-CD2 3.97Å; F57-L126 HydrophobicContact CG-CG 4.37Å; F57-L126 HydrophobicContact CZ-CB 4.07Å; L65-L126 HydrophobicContact CB-CD2 4.06Å; E122-L126 HydrophobicContact CG-CD1 4.28Å; E122-L126 WeakPolarHBondContact O-CG 3.16Å; E122-L126 PolarHBondContact O-N 3.15Å; V124-L126 PolarHBondContact O-N 3.38Å; L126-A129 PolarHBondContact O-N 3.39Å; L126-F130 VanDerWaalsContact O-CB 3.25Å; L126-F130 WeakPolarHBondContact O-CB 3.33Å; L126-F130 PolarHBondContact O-N 2.97Å |
| 127 | G | 59 | Low | 59.9 | Low | 12 Ų | 12 | 45.8 Ų | 45.8 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A123 V124 K125 Q131 | A123-G127 PolarHBondContact O-N 3.44Å; V124-G127 PolarHBondContact O-N 2.76Å; K125-G127 VanDerWaalsContact C-N 3.31Å; K125-G127 PolarHBondContact O-N 3.26Å; G127-Q131 VanDerWaalsContact O-CG 3.31Å; G127-Q131 WeakPolarHBondContact O-CG 3.28Å |
| 128 | I | 58.5 | Low | 61.4 | Low | 25 Ų | 25 | 43.4 Ų | 43.4 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -49.5 | 174.8 | -70.2 | 166.3 | 0 | 0 | 0 | 110 | A69 A74 Y77 V124 K125 F130 Q131 D132 T222 | A69-I128 HydrophobicContact CB-CG2 4.36Å; A74-I128 HydrophobicContact CB-CD1 4.07Å; Y77-I128 HydrophobicContact CD1-CD1 4.13Å; Y77-I128 HydrophobicContact CD1-CG1 4.29Å; Y77-I128 HydrophobicContact CD2-CD1 4.34Å; Y77-I128 HydrophobicContact CG-CD1 3.97Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.41Å; V124-I128 WeakPolarHBondContact O-CG1 3.46Å; V124-I128 PolarHBondContact O-N 2.74Å; K125-I128 PolarHBondContact O-N 3.39Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 3.48Å; I128-Q131 PolarHBondContact O-N 3.5Å; I128-D132 PolarHBondContact O-N 2.86Å; I128-T222 HydrophobicContact CG1-CG2 4.4Å |
| 129 | A | 60.5 | Low | 63.2 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L65 A69 K125 L126 Q131 D132 I135 | L65-A129 HydrophobicContact CB-CB 3.96Å; L65-A129 HydrophobicContact CD2-CB 3.28Å; L65-A129 WeakPolarHBondContact CD2-O 3.02Å; L65-A129 HydrophobicContact CG-CB 4.22Å; L65-A129 WeakPolarHBondContact O-CB 3.3Å; A69-A129 HydrophobicContact CB-CB 4.4Å; K125-A129 VanDerWaalsContact O-CB 3.31Å; K125-A129 WeakPolarHBondContact O-CB 3.46Å; K125-A129 PolarHBondContact O-N 3.36Å; L126-A129 PolarHBondContact O-N 3.39Å; A129-Q131 PolarHBondContact O-N 3.44Å; A129-Q131 VanDerWaalsContact O-N 3.07Å; A129-D132 PolarHBondContact O-N 3.29Å; A129-I135 HydrophobicContact CB-CD1 3.87Å; A129-I135 WeakPolarHBondContact O-CD1 3.33Å |
| 130 | F | 60 | Low | 64.7 | Low | 31 Ų | 31 | 49.7 Ų | 49.7 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.8 | -32.2 | 177 | 175.3 | -111.6 | 0 | 0 | 0 | 112.3 | F57 L126 I128 R141 I144 N145 | F57-F130 HydrophobicContact CE1-CB 3.79Å; F57-F130 AromaticContact CE1-CD2 3.86Å; F57-F130 HydrophobicContact CE1-CD2 3.86Å; F57-F130 HydrophobicContact CE1-CG 4.06Å; F57-F130 HydrophobicContact CZ-CB 4.19Å; F57-F130 HydrophobicContact CZ-CG 4.46Å; L126-F130 VanDerWaalsContact O-CB 3.25Å; L126-F130 WeakPolarHBondContact O-CB 3.33Å; L126-F130 PolarHBondContact O-N 2.97Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 3.48Å; F130-R141 HydrophobicContact CD2-CG 4.13Å; F130-R141 HydrophobicContact CE2-CB 3.82Å; F130-R141 HydrophobicContact CE2-CG 3.7Å; F130-R141 HydrophobicContact CZ-CB 4.25Å; F130-R141 HydrophobicContact CZ-CG 4.3Å; F130-R141 WeakPolarHBondContact O-CD 3.34Å; F130-I144 HydrophobicContact CD2-CB 4.27Å; F130-I144 HydrophobicContact CD2-CD1 3.85Å; F130-I144 HydrophobicContact CD2-CG2 3.84Å; F130-I144 HydrophobicContact CE2-CB 3.86Å; F130-I144 HydrophobicContact CE2-CD1 4.09Å; F130-I144 HydrophobicContact CE2-CG2 3.69Å; F130-N145 WeakPolarHBondContact CZ-OD1 3.09Å |
| 131 | Q | 59 | Low | 65.6 | Low | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -96.7 | -20.1 | -169.6 | -62.3 | -166.2 | 23.6 | 0 | 0 | 113.8 | G127 I128 A129 L133 E221 T222 | G127-Q131 VanDerWaalsContact O-CG 3.31Å; G127-Q131 WeakPolarHBondContact O-CG 3.28Å; I128-Q131 PolarHBondContact O-N 3.5Å; A129-Q131 PolarHBondContact O-N 3.44Å; A129-Q131 VanDerWaalsContact O-N 3.07Å; Q131-L133 PolarHBondContact O-N 3.31Å; Q131-E221 PolarHBondContact OE1-O 3.23Å; Q131-T222 VanDerWaalsContact CD-CA 3.48Å; Q131-T222 VanDerWaalsContact OE1-CB 3.27Å; Q131-T222 PolarHBondContact OE1-OG1 3.2Å |
| 132 | D | 64.1 | Low | 66.7 | Low | 77 Ų | 77 | 48.4 Ų | 48.4 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | trans | -67.7 | 109.6 | 165 | -178.1 | -18.4 | 0 | 0 | 0 | 108.6 | I128 A129 S134 I135 | I128-D132 PolarHBondContact O-N 2.86Å; A129-D132 PolarHBondContact O-N 3.29Å; D132-S134 VanDerWaalsContact CG-OG 3.31Å; D132-S134 PolarHBondContact O-N 2.69Å; D132-S134 WeakPolarHBondContact OD1-CB 3.15Å; D132-S134 PolarHBondContact OD1-N 2.82Å; D132-S134 PolarHBondContact OD1-OG 3.49Å; D132-S134 PolarHBondContact OD2-OG 2.84Å; D132-I135 HydrophobicContact CB-CD1 3.5Å; D132-I135 HydrophobicContact CB-CG1 3.92Å; D132-I135 PolarHBondContact O-N 3.06Å | ||
| 133 | L | 65.3 | Low | 67.8 | Low | 111 Ų | 111 | 45.8 Ų | 45.8 | 58% | 0.581 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.4 | -172.2 | -64.6 | 178.9 | 0 | 0 | 0 | 113.2 | Q131 R141 | Q131-L133 PolarHBondContact O-N 3.31Å; L133-R141 VanDerWaalsContact CD2-CZ 3.46Å; L133-R141 PolarHBondContact O-NH1 3.31Å; L133-R141 PolarHBondContact O-NH2 2.95Å |
| 134 | S | 68.8 | Low | 68.6 | Low | 101 Ų | 101 | 44.7 Ų | 44.7 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -19.1 | -177.9 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | D132 | D132-S134 VanDerWaalsContact CG-OG 3.31Å; D132-S134 PolarHBondContact O-N 2.69Å; D132-S134 WeakPolarHBondContact OD1-CB 3.15Å; D132-S134 PolarHBondContact OD1-N 2.82Å; D132-S134 PolarHBondContact OD1-OG 3.49Å; D132-S134 PolarHBondContact OD2-OG 2.84Å |
| 135 | I | 67.5 | Low | 69.4 | Low | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -47.2 | -173.2 | -58.7 | 171.9 | 0 | 0 | 0 | 111.3 | E64 L65 A68 A129 D132 | E64-I135 HydrophobicContact CB-CG2 4.05Å; L65-I135 HydrophobicContact CD2-CG2 3.91Å; L65-I135 HydrophobicContact CG-CG2 4.06Å; A68-I135 HydrophobicContact CB-CD1 3.34Å; A68-I135 HydrophobicContact CB-CG1 3.72Å; A68-I135 HydrophobicContact CB-CG2 3.95Å; A129-I135 HydrophobicContact CB-CD1 3.87Å; A129-I135 WeakPolarHBondContact O-CD1 3.33Å; D132-I135 HydrophobicContact CB-CD1 3.5Å; D132-I135 HydrophobicContact CB-CG1 3.92Å; D132-I135 PolarHBondContact O-N 3.06Å |
| 136 | C | 70.3 | Confident | 70.4 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -109 | 149.6 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | C62 L65 Q140 R141 | C62-C136 HydrophobicContact CB-CB 4.1Å; C62-C136 WeakPolarHBondContact CB-SG 3.36Å; C62-C136 WeakPolarHBondContact SG-CA 3.4Å; C62-C136 WeakPolarHBondContact SG-CB 3.49Å; C62-C136 CovalentContact SG-SG 2.03Å; C62-C136 PolarHBondContact SG-SG 3.33Å; L65-C136 WeakPolarHBondContact CD1-SG 3.47Å; L65-C136 WeakPolarHBondContact CD2-SG 3.48Å; L65-C136 WeakPolarHBondContact CG-SG 3.07Å; C136-Q140 HydrophobicContact CB-CB 4.19Å; C136-R141 HydrophobicContact CB-CG 3.87Å; C136-R141 VanDerWaalsContact O-CZ 3.24Å; C136-R141 PolarHBondContact O-NH1 3.47Å; C136-R141 PolarHBondContact O-NH2 3.32Å |
| 137 | T | 81.1 | Confident | 71.2 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | trans | -69.2 | 160.7 | 165.3 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | E139 Q140 R141 | T137-E139 PolarHBondContact O-N 3.25Å; T137-Q140 PolarHBondContact O-N 3.44Å; T137-Q140 VanDerWaalsContact OG1-CD 3.3Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.29Å; T137-Q140 PolarHBondContact OG1-N 3.32Å; T137-Q140 PolarHBondContact OG1-OE1 2.88Å; T137-R141 PolarHBondContact O-N 2.93Å | ||
| 138 | A | 81.5 | Confident | 71.5 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 60% | 0.595 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.2 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R141 A142 | A138-R141 PolarHBondContact O-N 2.7Å; A138-A142 WeakPolarHBondContact O-CB 3.39Å; A138-A142 PolarHBondContact O-N 3.42Å |
| 139 | E | 83.9 | Confident | 72 | Confident | 158 Ų | 158 | 56.6 Ų | 56.6 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 178.2 | -71 | 145.1 | 172.7 | 0 | 0 | 111.6 | T137 A142 A143 | T137-E139 PolarHBondContact O-N 3.25Å; E139-A142 PolarHBondContact O-N 3.15Å; E139-A143 PolarHBondContact O-N 3.01Å |
| 140 | Q | 82.4 | Confident | 72.5 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.7 | -69.2 | 169.2 | -50.2 | 0 | 0 | 111.4 | S60 G61 C62 C136 T137 A142 A143 I144 | S60-Q140 WeakPolarHBondContact O-CG 3.33Å; G61-Q140 VanDerWaalsContact C-NE2 3.32Å; G61-Q140 PolarHBondContact O-NE2 2.85Å; G61-Q140 VanDerWaalsContact O-NE2 3.16Å; C62-Q140 HydrophobicContact CB-CB 4.25Å; C136-Q140 HydrophobicContact CB-CB 4.19Å; T137-Q140 PolarHBondContact O-N 3.44Å; T137-Q140 VanDerWaalsContact OG1-CD 3.3Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.29Å; T137-Q140 PolarHBondContact OG1-N 3.32Å; T137-Q140 PolarHBondContact OG1-OE1 2.88Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; Q140-A142 PolarHBondContact O-N 3.47Å; Q140-A143 PolarHBondContact O-N 3.02Å; Q140-I144 VanDerWaalsContact O-CG1 3.28Å; Q140-I144 WeakPolarHBondContact O-CG1 3.25Å; Q140-I144 PolarHBondContact O-N 3.43Å |
| 141 | R | 73.1 | Confident | 72.7 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.1 | -76.9 | -168 | -77.4 | -90.9 | -2.8 | 112.7 | F130 L133 C136 T137 A138 I144 N145 | F130-R141 HydrophobicContact CD2-CG 4.13Å; F130-R141 HydrophobicContact CE2-CB 3.82Å; F130-R141 HydrophobicContact CE2-CG 3.7Å; F130-R141 HydrophobicContact CZ-CB 4.25Å; F130-R141 HydrophobicContact CZ-CG 4.3Å; F130-R141 WeakPolarHBondContact O-CD 3.34Å; L133-R141 VanDerWaalsContact CD2-CZ 3.46Å; L133-R141 PolarHBondContact O-NH1 3.31Å; L133-R141 PolarHBondContact O-NH2 2.95Å; C136-R141 HydrophobicContact CB-CG 3.87Å; C136-R141 VanDerWaalsContact O-CZ 3.24Å; C136-R141 PolarHBondContact O-NH1 3.47Å; C136-R141 PolarHBondContact O-NH2 3.32Å; T137-R141 PolarHBondContact O-N 2.93Å; A138-R141 PolarHBondContact O-N 2.7Å; R141-I144 PolarHBondContact O-N 3.33Å; R141-N145 WeakPolarHBondContact O-CB 3.25Å; R141-N145 PolarHBondContact O-N 2.62Å |
| 142 | A | 80.8 | Confident | 72.6 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A138 E139 Q140 I144 N145 D146 | A138-A142 WeakPolarHBondContact O-CB 3.39Å; A138-A142 PolarHBondContact O-N 3.42Å; E139-A142 PolarHBondContact O-N 3.15Å; Q140-A142 VanDerWaalsContact C-N 3.33Å; Q140-A142 PolarHBondContact O-N 3.47Å; A142-I144 PolarHBondContact O-N 2.78Å; A142-N145 PolarHBondContact O-N 3.34Å; A142-D146 WeakPolarHBondContact O-CB 2.86Å; A142-D146 PolarHBondContact O-N 3.41Å |
| 143 | A | 81.1 | Confident | 72.6 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E139 Q140 C147 | E139-A143 PolarHBondContact O-N 3.01Å; Q140-A143 PolarHBondContact O-N 3.02Å; A143-C147 WeakPolarHBondContact O-CB 3.33Å; A143-C147 PolarHBondContact O-N 2.76Å |
| 144 | I | 72.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 173.8 | -67.3 | 161.4 | 0 | 0 | 0 | 109.9 | F57 S60 L65 F130 Q140 R141 A142 D146 C147 L148 | F57-I144 HydrophobicContact CD1-CD1 3.64Å; F57-I144 HydrophobicContact CD1-CG1 4.01Å; F57-I144 HydrophobicContact CD1-CG2 3.86Å; F57-I144 HydrophobicContact CE1-CD1 3.93Å; F57-I144 HydrophobicContact CE1-CG1 4.36Å; F57-I144 HydrophobicContact CE1-CG2 3.49Å; F57-I144 VanDerWaalsContact CE1-CG2 3.49Å; F57-I144 HydrophobicContact CZ-CG2 3.88Å; S60-I144 VanDerWaalsContact CB-CG1 3.43Å; L65-I144 HydrophobicContact CD1-CD1 3.97Å; F130-I144 HydrophobicContact CD2-CB 4.27Å; F130-I144 HydrophobicContact CD2-CD1 3.85Å; F130-I144 HydrophobicContact CD2-CG2 3.84Å; F130-I144 HydrophobicContact CE2-CB 3.86Å; F130-I144 HydrophobicContact CE2-CD1 4.09Å; F130-I144 HydrophobicContact CE2-CG2 3.69Å; Q140-I144 VanDerWaalsContact O-CG1 3.28Å; Q140-I144 WeakPolarHBondContact O-CG1 3.25Å; Q140-I144 PolarHBondContact O-N 3.43Å; R141-I144 PolarHBondContact O-N 3.33Å; A142-I144 PolarHBondContact O-N 2.78Å; I144-D146 PolarHBondContact O-N 3.08Å; I144-C147 WeakPolarHBondContact O-CB 2.81Å; I144-C147 PolarHBondContact O-N 2.78Å; I144-L148 HydrophobicContact CG2-CD1 3.74Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CG 3.09Å; I144-L148 PolarHBondContact O-N 3.28Å |
| 145 | N | 73.2 | Confident | 72 | Confident | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 179.4 | -82.6 | -20 | 0 | 0 | 0 | 112.1 | F130 R141 A142 C147 L148 S149 | F130-N145 WeakPolarHBondContact CZ-OD1 3.09Å; R141-N145 WeakPolarHBondContact O-CB 3.25Å; R141-N145 PolarHBondContact O-N 2.62Å; A142-N145 PolarHBondContact O-N 3.34Å; N145-C147 VanDerWaalsContact C-N 3.28Å; N145-C147 PolarHBondContact O-N 3.22Å; N145-L148 PolarHBondContact O-N 3.3Å; N145-S149 WeakPolarHBondContact O-CB 3.45Å; N145-S149 PolarHBondContact O-N 3.45Å; N145-S149 PolarHBondContact O-OG 3.34Å |
| 146 | D | 77.8 | Confident | 71.5 | Confident | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 178.1 | -74.1 | -18.9 | 0 | 0 | 0 | 111.3 | A142 I144 G150 | A142-D146 WeakPolarHBondContact O-CB 2.86Å; A142-D146 PolarHBondContact O-N 3.41Å; I144-D146 PolarHBondContact O-N 3.08Å; D146-G150 PolarHBondContact O-N 2.71Å; D146-G150 VanDerWaalsContact O-N 3.07Å |
| 147 | C | 75.6 | Confident | 71.1 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 174.8 | -173.3 | 0 | 0 | 0 | 0 | 111.9 | C56 A143 I144 N145 S149 G150 L151 | C56-C147 WeakPolarHBondContact CA-SG 3.4Å; C56-C147 HydrophobicContact CB-CB 3.62Å; C56-C147 WeakPolarHBondContact CB-SG 3.43Å; C56-C147 WeakPolarHBondContact SG-CB 2.9Å; C56-C147 CovalentContact SG-SG 2.04Å; C56-C147 PolarHBondContact SG-SG 2.99Å; A143-C147 WeakPolarHBondContact O-CB 3.33Å; A143-C147 PolarHBondContact O-N 2.76Å; I144-C147 WeakPolarHBondContact O-CB 2.81Å; I144-C147 PolarHBondContact O-N 2.78Å; N145-C147 VanDerWaalsContact C-N 3.28Å; N145-C147 PolarHBondContact O-N 3.22Å; C147-S149 PolarHBondContact O-N 3Å; C147-G150 WeakPolarHBondContact O-CA 3.39Å; C147-G150 PolarHBondContact O-N 3.17Å; C147-G150 VanDerWaalsContact O-N 3.1Å; C147-L151 PolarHBondContact O-N 3.35Å |
| 148 | L | 64.8 | Low | 70.1 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 179.3 | -68.3 | 178.2 | 0 | 0 | 0 | 112.2 | V53 C56 F57 I144 N145 G150 L151 E152 | V53-L148 HydrophobicContact CB-CD2 4.45Å; V53-L148 HydrophobicContact CG1-CD2 4.16Å; V53-L148 HydrophobicContact CG2-CD2 4.09Å; C56-L148 HydrophobicContact CB-CD2 4.21Å; C56-L148 HydrophobicContact CB-CG 4.5Å; F57-L148 HydrophobicContact CZ-CD1 4.39Å; I144-L148 HydrophobicContact CG2-CD1 3.74Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CG 3.09Å; I144-L148 PolarHBondContact O-N 3.28Å; N145-L148 PolarHBondContact O-N 3.3Å; L148-G150 VanDerWaalsContact C-N 3.28Å; L148-G150 PolarHBondContact O-N 3.19Å; L148-L151 HydrophobicContact CD2-CD1 4.33Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 3.49Å; L148-L151 VanDerWaalsContact O-N 3.14Å; L148-E152 PolarHBondContact O-N 3.04Å |
| 149 | S | 68.7 | Low | 68.9 | Low | 52 Ų | 52 | 69.2 Ų | 69.2 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -32.4 | 174.1 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | N145 C147 K153 | N145-S149 WeakPolarHBondContact O-CB 3.45Å; N145-S149 PolarHBondContact O-N 3.45Å; N145-S149 PolarHBondContact O-OG 3.34Å; C147-S149 PolarHBondContact O-N 3Å; S149-K153 WeakPolarHBondContact O-CG 3.25Å; S149-K153 PolarHBondContact O-N 3.08Å |
| 150 | G | 71.6 | Confident | 68 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D146 C147 L148 K153 E154 | D146-G150 PolarHBondContact O-N 2.71Å; D146-G150 VanDerWaalsContact O-N 3.07Å; C147-G150 WeakPolarHBondContact O-CA 3.39Å; C147-G150 PolarHBondContact O-N 3.17Å; C147-G150 VanDerWaalsContact O-N 3.1Å; L148-G150 VanDerWaalsContact C-N 3.28Å; L148-G150 PolarHBondContact O-N 3.19Å; G150-K153 PolarHBondContact O-N 3.44Å; G150-E154 PolarHBondContact O-N 2.76Å; G150-E154 VanDerWaalsContact O-N 3.15Å |
| 151 | L | 64.1 | Low | 67.2 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.9 | -66.1 | 179.5 | 0 | 0 | 0 | 112.6 | K52 V53 C56 C147 L148 K153 E154 V155 | K52-L151 HydrophobicContact CB-CD1 3.84Å; K52-L151 HydrophobicContact CB-CD2 3.85Å; K52-L151 HydrophobicContact CD-CD2 3.69Å; K52-L151 HydrophobicContact CG-CD2 4.2Å; V53-L151 HydrophobicContact CG2-CD1 4.2Å; C56-L151 VanDerWaalsContact SG-CD1 3.57Å; C147-L151 PolarHBondContact O-N 3.35Å; L148-L151 HydrophobicContact CD2-CD1 4.33Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 3.49Å; L148-L151 VanDerWaalsContact O-N 3.14Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.39Å; L151-E154 WeakPolarHBondContact O-CA 3.4Å; L151-E154 WeakPolarHBondContact O-CB 3.17Å; L151-E154 PolarHBondContact O-N 3.49Å; L151-V155 WeakPolarHBondContact O-CG2 3.37Å; L151-V155 PolarHBondContact O-N 3.48Å |
| 152 | E | 56.4 | Low | 66.6 | Low | 123 Ų | 123 | 69.3 Ų | 69.3 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.4 | -40.9 | 178.1 | -173.3 | -175.8 | -179.2 | 0 | 0 | 111.6 | L148 V155 S156 | L148-E152 PolarHBondContact O-N 3.04Å; E152-V155 PolarHBondContact O-N 2.69Å; E152-S156 VanDerWaalsContact O-CB 3.3Å; E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.81Å; E152-S156 PolarHBondContact O-OG 2.83Å |
| 153 | K | 64.6 | Low | 65.8 | Low | 147 Ų | 147 | 71.2 Ų | 71.2 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 174.2 | -71.8 | 173.7 | -177.2 | 171.9 | 0 | 112.2 | S149 G150 L151 S156 N157 | S149-K153 WeakPolarHBondContact O-CG 3.25Å; S149-K153 PolarHBondContact O-N 3.08Å; G150-K153 PolarHBondContact O-N 3.44Å; L151-K153 VanDerWaalsContact C-N 3.27Å; L151-K153 PolarHBondContact O-N 3.39Å; K153-S156 PolarHBondContact O-N 2.87Å; K153-N157 PolarHBondContact O-N 2.87Å; K153-N157 PolarHBondContact O-ND2 3.08Å |
| 154 | E | 62.1 | Low | 65.2 | Low | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.8 | -133.4 | -175 | -166.1 | 0 | 0 | 111.1 | K52 G150 L151 N157 S158 | K52-E154 IonicContact NZ-OE1 2.56Å; K52-E154 IonicContact NZ-OE2 3.27Å; K52-E154 PolarHBondContact NZ-OE2 3.02Å; G150-E154 PolarHBondContact O-N 2.76Å; G150-E154 VanDerWaalsContact O-N 3.15Å; L151-E154 WeakPolarHBondContact O-CA 3.4Å; L151-E154 WeakPolarHBondContact O-CB 3.17Å; L151-E154 PolarHBondContact O-N 3.49Å; E154-N157 PolarHBondContact O-N 3.1Å; E154-S158 PolarHBondContact O-N 3.12Å |
| 155 | V | 58.9 | Low | 64.9 | Low | 49 Ų | 49 | 76.5 Ų | 76.5 | 30% | 0.297 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | L3 L151 E152 N157 S158 Y159 | L3-V155 HydrophobicContact CD1-CG1 3.81Å; L151-V155 WeakPolarHBondContact O-CG2 3.37Å; L151-V155 PolarHBondContact O-N 3.48Å; E152-V155 PolarHBondContact O-N 2.69Å; V155-N157 VanDerWaalsContact C-N 3.34Å; V155-N157 PolarHBondContact O-N 3.21Å; V155-S158 CarbonylContact O-C 3.47Å; V155-S158 WeakPolarHBondContact O-CA 3.36Å; V155-S158 WeakPolarHBondContact O-CB 3.47Å; V155-S158 PolarHBondContact O-N 3.16Å; V155-S158 VanDerWaalsContact O-N 3.16Å; V155-Y159 PolarHBondContact O-N 2.91Å |
| 156 | S | 56 | Low | 64.6 | Low | 60 Ų | 60 | 73.9 Ų | 73.9 | 42% | 0.42 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.4 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | E152 K153 S158 Y159 E160 | E152-S156 VanDerWaalsContact O-CB 3.3Å; E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.81Å; E152-S156 PolarHBondContact O-OG 2.83Å; K153-S156 PolarHBondContact O-N 2.87Å; S156-S158 VanDerWaalsContact C-N 3.35Å; S156-Y159 WeakPolarHBondContact O-CB 3.36Å; S156-Y159 PolarHBondContact O-N 3.08Å; S156-E160 PolarHBondContact O-N 3.37Å |
| 157 | N | 62.2 | Low | 64.3 | Low | 114 Ų | 114 | 71.6 Ų | 71.6 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 173.3 | -69.5 | -19.6 | 0 | 0 | 0 | 110.9 | K153 E154 V155 Y159 E160 E161 | K153-N157 PolarHBondContact O-N 2.87Å; K153-N157 PolarHBondContact O-ND2 3.08Å; E154-N157 PolarHBondContact O-N 3.1Å; V155-N157 VanDerWaalsContact C-N 3.34Å; V155-N157 PolarHBondContact O-N 3.21Å; N157-Y159 PolarHBondContact O-N 3.33Å; N157-E160 PolarHBondContact O-N 3.2Å; N157-E161 PolarHBondContact O-N 2.84Å |
| 158 | S | 61.8 | Low | 64.5 | Low | 40 Ų | 40 | 73.3 Ų | 73.3 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | E154 V155 S156 E161 Q162 | E154-S158 PolarHBondContact O-N 3.12Å; V155-S158 CarbonylContact O-C 3.47Å; V155-S158 WeakPolarHBondContact O-CA 3.36Å; V155-S158 WeakPolarHBondContact O-CB 3.47Å; V155-S158 PolarHBondContact O-N 3.16Å; V155-S158 VanDerWaalsContact O-N 3.16Å; S156-S158 VanDerWaalsContact C-N 3.35Å; S158-E161 PolarHBondContact O-N 3.16Å; S158-Q162 VanDerWaalsContact O-CB 3.3Å; S158-Q162 WeakPolarHBondContact O-CB 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3.29Å; S158-Q162 PolarHBondContact O-N 3.48Å; S158-Q162 PolarHBondContact OG-NE2 3.33Å; S158-Q162 VanDerWaalsContact OG-NE2 3.08Å |
| 159 | Y | 56.2 | Low | 65 | Low | 58 Ų | 58 | 71.1 Ų | 71.1 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 179.1 | -179.4 | -112.5 | 0 | 0 | 0 | 112.6 | V155 S156 N157 Q162 K163 S239 | V155-Y159 PolarHBondContact O-N 2.91Å; S156-Y159 WeakPolarHBondContact O-CB 3.36Å; S156-Y159 PolarHBondContact O-N 3.08Å; N157-Y159 PolarHBondContact O-N 3.33Å; Y159-Q162 WeakPolarHBondContact O-CB 2.86Å; Y159-Q162 PolarHBondContact O-N 2.77Å; Y159-K163 HydrophobicContact CE1-CD 4.21Å; Y159-K163 HydrophobicContact CE1-CG 4.47Å; Y159-K163 PolarHBondContact O-N 3.18Å; Y159-S239 PolarHBondContact OH-OG 3.46Å |
| 160 | E | 64.1 | Low | 65.3 | Low | 104 Ų | 104 | 71.4 Ų | 71.4 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 175.2 | -66.6 | -56.4 | 137.3 | 0 | 0 | 112.1 | S156 N157 K163 T164 | S156-E160 PolarHBondContact O-N 3.37Å; N157-E160 PolarHBondContact O-N 3.2Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 IonicContact OE1-NZ 3.42Å; E160-K163 PolarHBondContact OE1-NZ 3.02Å; E160-K163 WeakPolarHBondContact OE2-CD 3.26Å; E160-K163 IonicContact OE2-NZ 2.66Å; E160-K163 PolarHBondContact OE2-NZ 3.38Å; E160-T164 PolarHBondContact O-N 3.42Å; E160-T164 PolarHBondContact O-OG1 2.72Å |
| 161 | E | 64.7 | Low | 65.9 | Low | 128 Ų | 128 | 75.8 Ų | 75.8 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 170.3 | -68.3 | 178.9 | 170.9 | 0 | 0 | 111.1 | N157 S158 K163 T164 I165 | N157-E161 PolarHBondContact O-N 2.84Å; S158-E161 PolarHBondContact O-N 3.16Å; E161-K163 PolarHBondContact O-N 2.78Å; E161-T164 WeakPolarHBondContact O-CA 3.17Å; E161-T164 WeakPolarHBondContact O-CB 3.08Å; E161-T164 PolarHBondContact O-N 3.49Å; E161-T164 VanDerWaalsContact O-N 3.08Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.35Å; E161-I165 PolarHBondContact O-N 3.01Å |
| 162 | Q | 61.2 | Low | 66.8 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 176.9 | -77.7 | 176.5 | 37.9 | 0 | 0 | 111.5 | S158 Y159 T164 I165 K166 | S158-Q162 VanDerWaalsContact O-CB 3.3Å; S158-Q162 WeakPolarHBondContact O-CB 3.3Å; S158-Q162 WeakPolarHBondContact O-CG 3.29Å; S158-Q162 PolarHBondContact O-N 3.48Å; S158-Q162 PolarHBondContact OG-NE2 3.33Å; S158-Q162 VanDerWaalsContact OG-NE2 3.08Å; Y159-Q162 WeakPolarHBondContact O-CB 2.86Å; Y159-Q162 PolarHBondContact O-N 2.77Å; Q162-T164 VanDerWaalsContact C-N 3.26Å; Q162-T164 PolarHBondContact O-N 2.81Å; Q162-I165 PolarHBondContact O-N 2.84Å; Q162-K166 VanDerWaalsContact O-CB 3.24Å; Q162-K166 WeakPolarHBondContact O-CB 3.16Å; Q162-K166 WeakPolarHBondContact O-CG 3.31Å; Q162-K166 PolarHBondContact O-N 2.83Å |
| 163 | K | 64.4 | Low | 68.1 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56 | -44 | 171.7 | -79.7 | 176 | 176.2 | 162.6 | 0 | 111.6 | Y159 E160 E161 S167 | Y159-K163 HydrophobicContact CE1-CD 4.21Å; Y159-K163 HydrophobicContact CE1-CG 4.47Å; Y159-K163 PolarHBondContact O-N 3.18Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 IonicContact OE1-NZ 3.42Å; E160-K163 PolarHBondContact OE1-NZ 3.02Å; E160-K163 WeakPolarHBondContact OE2-CD 3.26Å; E160-K163 IonicContact OE2-NZ 2.66Å; E160-K163 PolarHBondContact OE2-NZ 3.38Å; E161-K163 PolarHBondContact O-N 2.78Å; K163-S167 VanDerWaalsContact O-CB 3.29Å; K163-S167 WeakPolarHBondContact O-CB 3.42Å; K163-S167 PolarHBondContact O-N 2.94Å |
| 164 | T | 67.6 | Low | 68.9 | Low | 84 Ų | 84 | 68 Ų | 68 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | E160 E161 Q162 S167 N168 | E160-T164 PolarHBondContact O-N 3.42Å; E160-T164 PolarHBondContact O-OG1 2.72Å; E161-T164 WeakPolarHBondContact O-CA 3.17Å; E161-T164 WeakPolarHBondContact O-CB 3.08Å; E161-T164 PolarHBondContact O-N 3.49Å; E161-T164 VanDerWaalsContact O-N 3.08Å; Q162-T164 VanDerWaalsContact C-N 3.26Å; Q162-T164 PolarHBondContact O-N 2.81Å; T164-S167 PolarHBondContact O-N 3.47Å; T164-N168 VanDerWaalsContact O-CG 3.28Å; T164-N168 PolarHBondContact O-N 3.31Å; T164-N168 PolarHBondContact O-ND2 3.38Å |
| 165 | I | 67 | Low | 70.2 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178 | -64.6 | 164.9 | 0 | 0 | 0 | 110.8 | I40 E161 Q162 S167 N168 A169 | I40-I165 HydrophobicContact CB-CG2 4.3Å; I40-I165 HydrophobicContact CD1-CG2 3.49Å; I40-I165 VanDerWaalsContact CD1-CG2 3.49Å; I40-I165 HydrophobicContact CG1-CG2 3.53Å; I40-I165 HydrophobicContact CG2-CG2 3.71Å; E161-I165 VanDerWaalsContact O-CG1 3.3Å; E161-I165 WeakPolarHBondContact O-CG1 3.35Å; E161-I165 PolarHBondContact O-N 3.01Å; Q162-I165 PolarHBondContact O-N 2.84Å; I165-S167 PolarHBondContact O-N 3.06Å; I165-N168 WeakPolarHBondContact O-CB 3.18Å; I165-N168 PolarHBondContact O-N 3.28Å; I165-A169 WeakPolarHBondContact O-CB 3.25Å; I165-A169 PolarHBondContact O-N 3.4Å |
| 166 | K | 65.9 | Low | 71.4 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 176.2 | -75.2 | -179.5 | -179.6 | -171.9 | 0 | 111.5 | L37 Q162 N168 A169 K170 D240 | L37-K166 HydrophobicContact CD2-CG 3.91Å; Q162-K166 VanDerWaalsContact O-CB 3.24Å; Q162-K166 WeakPolarHBondContact O-CB 3.16Å; Q162-K166 WeakPolarHBondContact O-CG 3.31Å; Q162-K166 PolarHBondContact O-N 2.83Å; K166-N168 VanDerWaalsContact C-N 3.32Å; K166-N168 PolarHBondContact O-N 3.23Å; K166-A169 PolarHBondContact O-N 2.97Å; K166-K170 PolarHBondContact O-N 3.34Å; K166-D240 VanDerWaalsContact NZ-CG 3.3Å; K166-D240 IonicContact NZ-OD1 3.2Å; K166-D240 PolarHBondContact NZ-OD1 2.88Å; K166-D240 IonicContact NZ-OD2 3.85Å; K166-D240 PolarHBondContact NZ-OD2 3.13Å |
| 167 | S | 72.9 | Confident | 72.5 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | K163 T164 I165 K170 K171 | K163-S167 VanDerWaalsContact O-CB 3.29Å; K163-S167 WeakPolarHBondContact O-CB 3.42Å; K163-S167 PolarHBondContact O-N 2.94Å; T164-S167 PolarHBondContact O-N 3.47Å; I165-S167 PolarHBondContact O-N 3.06Å; S167-K170 PolarHBondContact O-N 3.3Å; S167-K171 WeakPolarHBondContact O-CB 3.32Å; S167-K171 PolarHBondContact O-N 3.33Å |
| 168 | N | 78.8 | Confident | 73.4 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.3 | -71.3 | -25.8 | 0 | 0 | 0 | 112.1 | T164 I165 K166 K171 Q172 | T164-N168 VanDerWaalsContact O-CG 3.28Å; T164-N168 PolarHBondContact O-N 3.31Å; T164-N168 PolarHBondContact O-ND2 3.38Å; I165-N168 WeakPolarHBondContact O-CB 3.18Å; I165-N168 PolarHBondContact O-N 3.28Å; K166-N168 VanDerWaalsContact C-N 3.32Å; K166-N168 PolarHBondContact O-N 3.23Å; N168-K171 PolarHBondContact O-N 2.98Å; N168-Q172 WeakPolarHBondContact O-CB 3.45Å; N168-Q172 VanDerWaalsContact O-CG 3.26Å; N168-Q172 WeakPolarHBondContact O-CG 3.35Å; N168-Q172 PolarHBondContact O-N 3.42Å |
| 169 | A | 75 | Confident | 74.5 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y33 E36 I40 I165 K166 K171 Q172 C173 | Y33-A169 HydrophobicContact CD2-CB 3.99Å; Y33-A169 HydrophobicContact CE2-CB 3.9Å; E36-A169 HydrophobicContact CB-CB 3.72Å; E36-A169 HydrophobicContact CG-CB 4.3Å; I40-A169 HydrophobicContact CD1-CB 3.96Å; I165-A169 WeakPolarHBondContact O-CB 3.25Å; I165-A169 PolarHBondContact O-N 3.4Å; K166-A169 PolarHBondContact O-N 2.97Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 2.82Å; A169-Q172 PolarHBondContact O-N 3.49Å; A169-C173 WeakPolarHBondContact O-CB 3.06Å; A169-C173 PolarHBondContact O-N 2.63Å; A169-C173 PolarHBondContact O-SG 3.01Å; A169-C173 VanDerWaalsContact O-SG 3.36Å |
| 170 | K | 76.7 | Confident | 75.6 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.9 | -50.5 | 172.5 | -75.4 | -162.5 | 175.7 | -156.8 | 0 | 110.5 | Y33 K166 S167 Q172 C173 L174 E189 | Y33-K170 HydrophobicContact CD1-CG 4.29Å; Y33-K170 HydrophobicContact CD2-CG 3.97Å; Y33-K170 HydrophobicContact CE1-CD 4.3Å; Y33-K170 HydrophobicContact CE1-CG 3.79Å; Y33-K170 HydrophobicContact CE2-CB 4.33Å; Y33-K170 HydrophobicContact CE2-CG 3.43Å; Y33-K170 VanDerWaalsContact CE2-CG 3.43Å; Y33-K170 HydrophobicContact CG-CG 4.39Å; Y33-K170 WeakPolarHBondContact OH-CE 3.41Å; K166-K170 PolarHBondContact O-N 3.34Å; S167-K170 PolarHBondContact O-N 3.3Å; K170-Q172 PolarHBondContact O-N 3.39Å; K170-C173 PolarHBondContact O-N 3.37Å; K170-L174 WeakPolarHBondContact O-CB 3.2Å; K170-L174 PolarHBondContact O-N 3.42Å; K170-E189 IonicContact NZ-OE1 3.57Å; K170-E189 PolarHBondContact NZ-OE1 3.44Å |
| 171 | K | 82.6 | Confident | 76.3 | Confident | 133 Ų | 133 | 76 Ų | 76 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.4 | -48.8 | 179.1 | -175.3 | 179.7 | 176.8 | -177.8 | 0 | 112.1 | S167 N168 A169 C173 L174 D175 | S167-K171 WeakPolarHBondContact O-CB 3.32Å; S167-K171 PolarHBondContact O-N 3.33Å; N168-K171 PolarHBondContact O-N 2.98Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 2.82Å; K171-C173 VanDerWaalsContact C-N 3.26Å; K171-C173 PolarHBondContact O-N 3.39Å; K171-L174 PolarHBondContact O-N 2.81Å; K171-D175 WeakPolarHBondContact O-CB 3.36Å; K171-D175 PolarHBondContact O-N 3.32Å |
| 172 | Q | 84.1 | Confident | 77 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 178.8 | -76.6 | 173.9 | -10.2 | 0 | 0 | 112.5 | N168 A169 K170 K176 | N168-Q172 WeakPolarHBondContact O-CB 3.45Å; N168-Q172 VanDerWaalsContact O-CG 3.26Å; N168-Q172 WeakPolarHBondContact O-CG 3.35Å; N168-Q172 PolarHBondContact O-N 3.42Å; A169-Q172 PolarHBondContact O-N 3.49Å; K170-Q172 PolarHBondContact O-N 3.39Å; Q172-K176 WeakPolarHBondContact O-CG 3.18Å |
| 173 | C | 82.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.3 | -37.7 | 177.4 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | Y29 C32 Y33 A169 K170 K171 D175 K176 | Y29-C173 HydrophobicContact CD2-CB 3.85Å; Y29-C173 HydrophobicContact CE2-CB 4Å; C32-C173 HydrophobicContact CB-CB 3.61Å; C32-C173 WeakPolarHBondContact CB-SG 3.31Å; C32-C173 PolarHBondContact O-SG 3.16Å; C32-C173 WeakPolarHBondContact SG-CA 3.39Å; C32-C173 WeakPolarHBondContact SG-CB 3.37Å; C32-C173 CovalentContact SG-SG 2.05Å; C32-C173 PolarHBondContact SG-SG 3.35Å; Y33-C173 WeakPolarHBondContact CA-SG 3.46Å; Y33-C173 PolarHBondContact N-SG 2.89Å; A169-C173 WeakPolarHBondContact O-CB 3.06Å; A169-C173 PolarHBondContact O-N 2.63Å; A169-C173 PolarHBondContact O-SG 3.01Å; A169-C173 VanDerWaalsContact O-SG 3.36Å; K170-C173 PolarHBondContact O-N 3.37Å; K171-C173 VanDerWaalsContact C-N 3.26Å; K171-C173 PolarHBondContact O-N 3.39Å; C173-D175 VanDerWaalsContact C-N 3.28Å; C173-D175 PolarHBondContact O-N 3Å; C173-K176 WeakPolarHBondContact O-CB 3.18Å; C173-K176 PolarHBondContact O-N 3.01Å |
| 174 | L | 83.4 | Confident | 78.1 | Confident | 36 Ų | 36 | 75.8 Ų | 75.8 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 174.2 | -170.7 | 65.5 | 0 | 0 | 0 | 111.1 | Y29 K170 K171 K176 V177 K182 V185 | Y29-L174 HydrophobicContact CD2-CB 4.17Å; Y29-L174 HydrophobicContact CD2-CD1 4.32Å; Y29-L174 HydrophobicContact CE2-CB 3.95Å; Y29-L174 HydrophobicContact CE2-CD1 4.42Å; K170-L174 WeakPolarHBondContact O-CB 3.2Å; K170-L174 PolarHBondContact O-N 3.42Å; K171-L174 PolarHBondContact O-N 2.81Å; L174-K176 PolarHBondContact O-N 2.87Å; L174-V177 WeakPolarHBondContact O-CB 3.29Å; L174-V177 PolarHBondContact O-N 3.13Å; L174-K182 HydrophobicContact CD1-CB 4.19Å; L174-K182 HydrophobicContact CD1-CD 4.44Å; L174-K182 HydrophobicContact CD1-CG 4Å; L174-K182 HydrophobicContact CG-CD 4.17Å; L174-K182 HydrophobicContact CG-CG 4.28Å; L174-K182 WeakPolarHBondContact O-CE 3.42Å; L174-V185 HydrophobicContact CD1-CB 4.15Å; L174-V185 HydrophobicContact CD1-CG1 3.84Å |
| 175 | D | 87.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.3 | 176.1 | -71.9 | -20.2 | 0 | 0 | 0 | 113.2 | K171 C173 V177 K182 | K171-D175 WeakPolarHBondContact O-CB 3.36Å; K171-D175 PolarHBondContact O-N 3.32Å; C173-D175 VanDerWaalsContact C-N 3.28Å; C173-D175 PolarHBondContact O-N 3Å; D175-V177 VanDerWaalsContact C-N 3.33Å; D175-K182 IonicContact OD1-NZ 3.44Å |
| 176 | K | 84.7 | Confident | 78.5 | Confident | 138 Ų | 138 | 72.6 Ų | 72.6 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.1 | 172.7 | -65 | 172.2 | -170.2 | 169.4 | 0 | 113.2 | C32 E36 Q172 C173 L174 | C32-K176 PolarHBondContact SG-NZ 3.43Å; E36-K176 IonicContact OE1-NZ 3.83Å; Q172-K176 WeakPolarHBondContact O-CG 3.18Å; C173-K176 WeakPolarHBondContact O-CB 3.18Å; C173-K176 PolarHBondContact O-N 3.01Å; L174-K176 PolarHBondContact O-N 2.87Å |
| 177 | V | 79.8 | Confident | 78.5 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -93.4 | 136 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | Y29 L174 D175 N181 K182 V185 | Y29-V177 HydrophobicContact CD2-CG2 4.42Å; Y29-V177 HydrophobicContact CG-CG2 4.48Å; L174-V177 WeakPolarHBondContact O-CB 3.29Å; L174-V177 PolarHBondContact O-N 3.13Å; D175-V177 VanDerWaalsContact C-N 3.33Å; V177-N181 HydrophobicContact CG1-CB 3.58Å; V177-K182 HydrophobicContact CB-CG 4.2Å; V177-K182 HydrophobicContact CG1-CG 4.23Å; V177-K182 WeakPolarHBondContact O-CE 3.41Å; V177-V185 HydrophobicContact CG1-CG2 4.2Å; V177-V185 HydrophobicContact CG2-CG2 4.48Å |
| 178 | E | 81.1 | Confident | 78.1 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 63% | 0.631 | 35% | 0.354 | S | S | * | . | trans | -55.2 | 138.3 | 171.9 | -66.6 | -63.2 | 156.3 | 0 | 0 | 110.9 | E180 N181 K182 | E178-E180 HydrophobicContact CB-CG 4.26Å; E178-E180 PolarHBondContact O-N 2.81Å; E178-E180 VanDerWaalsContact O-N 3.13Å; E178-N181 WeakPolarHBondContact O-CA 3.32Å; E178-N181 WeakPolarHBondContact O-CB 3.05Å; E178-N181 PolarHBondContact O-N 3.15Å; E178-K182 PolarHBondContact O-N 3.17Å | ||
| 179 | E | 84.6 | Confident | 77.4 | Confident | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -54.6 | -37.7 | -172.6 | -79.7 | -64.5 | 154.2 | 0 | 0 | 113.6 | N181 K182 | E179-N181 PolarHBondContact O-N 3.03Å; E179-K182 PolarHBondContact O-N 3.42Å; E179-K182 VanDerWaalsContact OE1-CE 3.24Å; E179-K182 WeakPolarHBondContact OE1-CE 3.46Å; E179-K182 IonicContact OE1-NZ 3.29Å; E179-K182 PolarHBondContact OE1-NZ 3.1Å |
| 180 | E | 79.7 | Confident | 76.9 | Confident | 152 Ų | 152 | 79 Ų | 79 | 71% | 0.71 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -23.2 | 177.4 | 59.8 | -177.3 | -167.3 | 0 | 0 | 113.8 | E178 H184 | E178-E180 HydrophobicContact CB-CG 4.26Å; E178-E180 PolarHBondContact O-N 2.81Å; E178-E180 VanDerWaalsContact O-N 3.13Å; E180-H184 PolarHBondContact O-ND1 2.63Å |
| 181 | N | 77.3 | Confident | 76.1 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -98 | -15.6 | -176.7 | -67.3 | -30.4 | 0 | 0 | 0 | 112.9 | T25 V177 E178 E179 E183 H184 V185 | T25-N181 VanDerWaalsContact CB-CG 3.45Å; T25-N181 WeakPolarHBondContact CB-OD1 3.48Å; T25-N181 HydrophobicContact CG2-CB 4.33Å; T25-N181 VanDerWaalsContact CG2-CG 3.45Å; T25-N181 WeakPolarHBondContact CG2-OD1 3.45Å; V177-N181 HydrophobicContact CG1-CB 3.58Å; E178-N181 WeakPolarHBondContact O-CA 3.32Å; E178-N181 WeakPolarHBondContact O-CB 3.05Å; E178-N181 PolarHBondContact O-N 3.15Å; E179-N181 PolarHBondContact O-N 3.03Å; N181-E183 VanDerWaalsContact C-N 3.28Å; N181-E183 PolarHBondContact O-N 3.45Å; N181-H184 WeakPolarHBondContact O-CB 3.27Å; N181-H184 PolarHBondContact O-N 2.84Å; N181-H184 VanDerWaalsContact O-N 3.12Å; N181-V185 PolarHBondContact O-N 3.46Å |
| 182 | K | 81 | Confident | 75 | Confident | 25 Ų | 25 | 73 Ų | 73 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -34.1 | -177.2 | -68.7 | -170.8 | -174.9 | -175.6 | 0 | 113.2 | L174 D175 V177 E178 E179 V185 K186 | L174-K182 HydrophobicContact CD1-CB 4.19Å; L174-K182 HydrophobicContact CD1-CD 4.44Å; L174-K182 HydrophobicContact CD1-CG 4Å; L174-K182 HydrophobicContact CG-CD 4.17Å; L174-K182 HydrophobicContact CG-CG 4.28Å; L174-K182 WeakPolarHBondContact O-CE 3.42Å; D175-K182 IonicContact OD1-NZ 3.44Å; V177-K182 HydrophobicContact CB-CG 4.2Å; V177-K182 HydrophobicContact CG1-CG 4.23Å; V177-K182 WeakPolarHBondContact O-CE 3.41Å; E178-K182 PolarHBondContact O-N 3.17Å; E179-K182 PolarHBondContact O-N 3.42Å; E179-K182 VanDerWaalsContact OE1-CE 3.24Å; E179-K182 WeakPolarHBondContact OE1-CE 3.46Å; E179-K182 IonicContact OE1-NZ 3.29Å; E179-K182 PolarHBondContact OE1-NZ 3.1Å; K182-V185 PolarHBondContact O-N 2.65Å; K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 2.84Å |
| 183 | E | 77.9 | Confident | 73.8 | Confident | 108 Ų | 108 | 69 Ų | 69 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 177.2 | -166.7 | 63.3 | -172.1 | 0 | 0 | 111.8 | N181 V185 K186 L187 | N181-E183 VanDerWaalsContact C-N 3.28Å; N181-E183 PolarHBondContact O-N 3.45Å; E183-V185 VanDerWaalsContact C-N 3.34Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K186 IonicContact OE2-NZ 2.61Å; E183-L187 HydrophobicContact CG-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CG 3.41Å; E183-L187 PolarHBondContact O-N 3.27Å |
| 184 | H | 69.3 | Low | 72.5 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.4 | -66.9 | 75.2 | 0 | 0 | 0 | 110.7 | E180 N181 K186 L187 D188 | E180-H184 PolarHBondContact O-ND1 2.63Å; N181-H184 WeakPolarHBondContact O-CB 3.27Å; N181-H184 PolarHBondContact O-N 2.84Å; N181-H184 VanDerWaalsContact O-N 3.12Å; H184-K186 VanDerWaalsContact C-N 3.33Å; H184-K186 PolarHBondContact O-N 3.11Å; H184-L187 PolarHBondContact O-N 3.32Å; H184-D188 WeakPolarHBondContact O-CB 3.18Å; H184-D188 PolarHBondContact O-N 3.35Å |
| 185 | V | 71 | Confident | 71.1 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 174.9 | 171.7 | 0 | 0 | 0 | 0 | 112 | Y29 L174 V177 N181 K182 E183 D188 E189 | Y29-V185 HydrophobicContact CD1-CG1 3.33Å; Y29-V185 HydrophobicContact CD2-CG1 4.16Å; Y29-V185 HydrophobicContact CE1-CG1 3.61Å; Y29-V185 HydrophobicContact CE2-CG1 4.4Å; Y29-V185 HydrophobicContact CG-CG1 3.62Å; Y29-V185 HydrophobicContact CG-CG2 4.41Å; L174-V185 HydrophobicContact CD1-CB 4.15Å; L174-V185 HydrophobicContact CD1-CG1 3.84Å; V177-V185 HydrophobicContact CG1-CG2 4.2Å; V177-V185 HydrophobicContact CG2-CG2 4.48Å; N181-V185 PolarHBondContact O-N 3.46Å; K182-V185 PolarHBondContact O-N 2.65Å; E183-V185 VanDerWaalsContact C-N 3.34Å; V185-D188 PolarHBondContact O-N 3.33Å; V185-E189 WeakPolarHBondContact O-CG 3.3Å; V185-E189 PolarHBondContact O-N 3.1Å |
| 186 | K | 72.7 | Confident | 69.4 | Low | 92 Ų | 92 | 72.6 Ų | 72.6 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 179 | -70 | 177.7 | -167.1 | 162.4 | 0 | 112.4 | K182 E183 H184 D188 E189 E190 | K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 2.84Å; E183-K186 PolarHBondContact O-N 3.03Å; E183-K186 IonicContact OE2-NZ 2.61Å; H184-K186 VanDerWaalsContact C-N 3.33Å; H184-K186 PolarHBondContact O-N 3.11Å; K186-D188 VanDerWaalsContact C-N 3.28Å; K186-D188 PolarHBondContact O-N 3.03Å; K186-E189 PolarHBondContact O-N 2.89Å; K186-E190 WeakPolarHBondContact O-CG 3.14Å; K186-E190 PolarHBondContact O-N 2.74Å |
| 187 | L | 66.5 | Low | 67.9 | Low | 92 Ų | 92 | 68.2 Ų | 68.2 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.4 | -71.3 | 171.8 | 0 | 0 | 0 | 111.2 | E183 H184 E190 A191 | E183-L187 HydrophobicContact CG-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CG 3.41Å; E183-L187 PolarHBondContact O-N 3.27Å; H184-L187 PolarHBondContact O-N 3.32Å; L187-E190 PolarHBondContact O-N 3.04Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.45Å; L187-A191 PolarHBondContact O-N 3.29Å |
| 188 | D | 64.9 | Low | 66.6 | Low | 41 Ų | 41 | 72.5 Ų | 72.5 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 173.4 | -68.2 | -19.3 | 0 | 0 | 0 | 110.5 | S26 H184 V185 K186 E190 A191 L192 | S26-D188 VanDerWaalsContact CB-OD2 3.27Å; S26-D188 WeakPolarHBondContact CB-OD2 3.4Å; S26-D188 PolarHBondContact OG-OD2 3.19Å; H184-D188 WeakPolarHBondContact O-CB 3.18Å; H184-D188 PolarHBondContact O-N 3.35Å; V185-D188 PolarHBondContact O-N 3.33Å; K186-D188 VanDerWaalsContact C-N 3.28Å; K186-D188 PolarHBondContact O-N 3.03Å; D188-E190 VanDerWaalsContact C-N 3.34Å; D188-E190 PolarHBondContact O-N 3.36Å; D188-A191 PolarHBondContact O-N 3.49Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 WeakPolarHBondContact O-CD1 3.43Å; D188-L192 WeakPolarHBondContact O-CG 3.3Å; D188-L192 PolarHBondContact O-N 3.05Å |
| 189 | E | 64.2 | Low | 65.3 | Low | 47 Ų | 47 | 67 Ų | 67 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.5 | -48.3 | 175 | -76.9 | -167.3 | 133.3 | 0 | 0 | 111.7 | Y29 F30 K170 V185 K186 L192 A193 | Y29-E189 HydrophobicContact CE1-CG 4.19Å; Y29-E189 WeakPolarHBondContact CE1-OE1 3.48Å; Y29-E189 PolarHBondContact OH-OE1 2.9Å; F30-E189 HydrophobicContact CE1-CG 4.18Å; F30-E189 HydrophobicContact CZ-CG 3.91Å; K170-E189 IonicContact NZ-OE1 3.57Å; K170-E189 PolarHBondContact NZ-OE1 3.44Å; V185-E189 WeakPolarHBondContact O-CG 3.3Å; V185-E189 PolarHBondContact O-N 3.1Å; K186-E189 PolarHBondContact O-N 2.89Å; E189-L192 PolarHBondContact O-N 3.38Å; E189-A193 VanDerWaalsContact O-CB 3.27Å; E189-A193 WeakPolarHBondContact O-CB 3.18Å; E189-A193 PolarHBondContact O-N 3.37Å |
| 190 | E | 64.5 | Low | 63.5 | Low | 131 Ų | 131 | 65.5 Ų | 65.5 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 179.1 | -73.3 | -179.5 | -178.4 | 0 | 0 | 112.8 | K186 L187 D188 A193 K194 | K186-E190 WeakPolarHBondContact O-CG 3.14Å; K186-E190 PolarHBondContact O-N 2.74Å; L187-E190 PolarHBondContact O-N 3.04Å; D188-E190 VanDerWaalsContact C-N 3.34Å; D188-E190 PolarHBondContact O-N 3.36Å; E190-A193 PolarHBondContact O-N 2.84Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.38Å |
| 191 | A | 60.1 | Low | 62.6 | Low | 50 Ų | 50 | 59.4 Ų | 59.4 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L187 D188 A193 K194 E195 | L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.45Å; L187-A191 PolarHBondContact O-N 3.29Å; D188-A191 PolarHBondContact O-N 3.49Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-K194 PolarHBondContact O-N 3.18Å; A191-E195 WeakPolarHBondContact O-CB 3.28Å; A191-E195 WeakPolarHBondContact O-CG 3.36Å; A191-E195 PolarHBondContact O-N 2.96Å |
| 192 | L | 58.8 | Low | 61.9 | Low | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.4 | -61.8 | 164.7 | 0 | 0 | 0 | 110.8 | I17 F30 L96 A99 D188 E189 E195 A196 | I17-L192 HydrophobicContact CB-CD1 4.42Å; I17-L192 HydrophobicContact CD1-CD1 3.88Å; I17-L192 HydrophobicContact CG1-CD1 3.94Å; I17-L192 HydrophobicContact CG1-CD2 4.41Å; I17-L192 HydrophobicContact CG2-CD1 3.53Å; F30-L192 HydrophobicContact CZ-CD1 4.11Å; L96-L192 HydrophobicContact CD2-CB 3.93Å; L96-L192 HydrophobicContact CD2-CD2 3.34Å; L96-L192 HydrophobicContact CD2-CG 4.15Å; A99-L192 HydrophobicContact CB-CD2 4.13Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 WeakPolarHBondContact O-CD1 3.43Å; D188-L192 WeakPolarHBondContact O-CG 3.3Å; D188-L192 PolarHBondContact O-N 3.05Å; E189-L192 PolarHBondContact O-N 3.38Å; L192-E195 PolarHBondContact O-N 2.77Å; L192-A196 VanDerWaalsContact O-CB 3.29Å; L192-A196 WeakPolarHBondContact O-CB 3.22Å; L192-A196 PolarHBondContact O-N 3.28Å |
| 193 | A | 59.2 | Low | 60.9 | Low | 17 Ų | 17 | 60.7 Ų | 60.7 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E189 E190 A191 S197 L241 | E189-A193 VanDerWaalsContact O-CB 3.27Å; E189-A193 WeakPolarHBondContact O-CB 3.18Å; E189-A193 PolarHBondContact O-N 3.37Å; E190-A193 PolarHBondContact O-N 2.84Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A193-S197 WeakPolarHBondContact O-CB 3.48Å; A193-S197 PolarHBondContact O-N 3.43Å; A193-L241 VanDerWaalsContact CB-C 3.47Å; A193-L241 HydrophobicContact CB-CB 4Å; A193-L241 WeakPolarHBondContact CB-O 3.24Å |
| 194 | K | 54.6 | Low | 60.3 | Low | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.3 | -49.1 | 176.1 | -175.1 | -178 | 176.1 | -172.6 | 0 | 111.5 | E190 A191 A196 S197 D198 | E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.38Å; A191-K194 PolarHBondContact O-N 3.18Å; K194-A196 PolarHBondContact O-N 3.34Å; K194-S197 CarbonylContact O-C 3.56Å; K194-S197 WeakPolarHBondContact O-CA 3.33Å; K194-S197 WeakPolarHBondContact O-CB 3.31Å; K194-S197 PolarHBondContact O-N 2.7Å; K194-S197 VanDerWaalsContact O-N 3.1Å; K194-S197 PolarHBondContact O-OG 3.45Å; K194-D198 WeakPolarHBondContact O-CB 3.46Å; K194-D198 PolarHBondContact O-N 3.16Å |
| 195 | E | 52.9 | Low | 60.1 | Low | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | -179.9 | -81.8 | -167.6 | 178 | 0 | 0 | 112.8 | T95 A99 A191 L192 S197 D198 S199 | T95-E195 HydrophobicContact CG2-CB 3.79Å; T95-E195 HydrophobicContact CG2-CG 4.45Å; A99-E195 WeakPolarHBondContact CB-OE2 3.35Å; A191-E195 WeakPolarHBondContact O-CB 3.28Å; A191-E195 WeakPolarHBondContact O-CG 3.36Å; A191-E195 PolarHBondContact O-N 2.96Å; L192-E195 PolarHBondContact O-N 2.77Å; E195-S197 VanDerWaalsContact C-N 3.26Å; E195-S197 PolarHBondContact O-N 3.01Å; E195-D198 CarbonylContact O-C 3.56Å; E195-D198 PolarHBondContact O-N 3.1Å; E195-S199 PolarHBondContact O-N 3.25Å |
| 196 | A | 51.7 | Low | 59.8 | Low | 7 Ų | 7 | 61.4 Ų | 61.4 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.8 | -31.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V92 L192 K194 S199 L241 | V92-A196 HydrophobicContact CG1-CB 4.18Å; L192-A196 VanDerWaalsContact O-CB 3.29Å; L192-A196 WeakPolarHBondContact O-CB 3.22Å; L192-A196 PolarHBondContact O-N 3.28Å; K194-A196 PolarHBondContact O-N 3.34Å; A196-S199 PolarHBondContact O-OG 3.26Å; A196-L241 HydrophobicContact CB-CD1 3.18Å; A196-L241 HydrophobicContact CB-CD2 4.03Å; A196-L241 HydrophobicContact CB-CG 4.19Å |
| 197 | S | 54 | Low | 59.4 | Low | 46 Ų | 46 | 57.5 Ų | 57.5 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 170.9 | 85.3 | 0 | 0 | 0 | 0 | 113.1 | A193 K194 E195 R238 | A193-S197 WeakPolarHBondContact O-CB 3.48Å; A193-S197 PolarHBondContact O-N 3.43Å; K194-S197 CarbonylContact O-C 3.56Å; K194-S197 WeakPolarHBondContact O-CA 3.33Å; K194-S197 WeakPolarHBondContact O-CB 3.31Å; K194-S197 PolarHBondContact O-N 2.7Å; K194-S197 VanDerWaalsContact O-N 3.1Å; K194-S197 PolarHBondContact O-OG 3.45Å; E195-S197 VanDerWaalsContact C-N 3.26Å; E195-S197 PolarHBondContact O-N 3.01Å; S197-R238 PolarHBondContact O-NH2 3.5Å |
| 198 | D | 51.7 | Low | 59.5 | Low | 102 Ų | 102 | 59.2 Ų | 59.2 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -80.8 | -23.7 | -178.9 | -75.9 | -20 | 0 | 0 | 0 | 112.4 | K194 E195 S200 | K194-D198 WeakPolarHBondContact O-CB 3.46Å; K194-D198 PolarHBondContact O-N 3.16Å; E195-D198 CarbonylContact O-C 3.56Å; E195-D198 PolarHBondContact O-N 3.1Å; D198-S200 WeakPolarHBondContact O-CA 3.13Å; D198-S200 WeakPolarHBondContact O-CB 3.35Å; D198-S200 PolarHBondContact O-N 3.44Å |
| 199 | S | 54.5 | Low | 59.7 | Low | 19 Ų | 19 | 60.9 Ų | 60.9 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -62.4 | 98.4 | 169.6 | 79.9 | 0 | 0 | 0 | 0 | 108.3 | E195 A196 V201 | E195-S199 PolarHBondContact O-N 3.25Å; A196-S199 PolarHBondContact O-OG 3.26Å; S199-V201 PolarHBondContact O-N 2.88Å |
| 200 | S | 48 | Very low | 59.8 | Low | 107 Ų | 107 | 58.7 Ų | 58.7 | 75% | 0.748 | 32% | 0.319 | S | S | * | . | trans | -82.6 | 33.7 | -146.3 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | D198 T202 | D198-S200 WeakPolarHBondContact O-CA 3.13Å; D198-S200 WeakPolarHBondContact O-CB 3.35Å; D198-S200 PolarHBondContact O-N 3.44Å; S200-T202 PolarHBondContact O-N 2.86Å | ||
| 201 | V | 59.2 | Low | 60 | Low | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | trans | -99.5 | 100.2 | -172.9 | -157.4 | 0 | 0 | 0 | 0 | 109.6 | S199 F205 Y206 F234 | S199-V201 PolarHBondContact O-N 2.88Å; V201-F205 HydrophobicContact CB-CD1 4.48Å; V201-F205 HydrophobicContact CG1-CB 3.68Å; V201-F205 HydrophobicContact CG1-CD1 2.97Å; V201-F205 HydrophobicContact CG1-CD2 4.31Å; V201-F205 HydrophobicContact CG1-CE1 3.56Å; V201-F205 HydrophobicContact CG1-CG 3.4Å; V201-F205 HydrophobicContact CG1-CZ 4.43Å; V201-Y206 HydrophobicContact CB-CD2 4.43Å; V201-Y206 HydrophobicContact CB-CE2 3.56Å; V201-Y206 HydrophobicContact CG1-CD1 4.47Å; V201-Y206 HydrophobicContact CG1-CD2 3.78Å; V201-Y206 HydrophobicContact CG1-CE1 3.99Å; V201-Y206 HydrophobicContact CG1-CE2 3.21Å; V201-Y206 HydrophobicContact CG1-CG 4.38Å; V201-F234 WeakPolarHBondContact O-CE2 3.49Å; V201-F234 WeakPolarHBondContact O-CZ 3.04Å | ||
| 202 | T | 63.3 | Low | 60.7 | Low | 68 Ų | 68 | 56.5 Ų | 56.5 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | trans | -70.1 | 159.7 | -179.6 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | S200 D204 F205 Y206 | S200-T202 PolarHBondContact O-N 2.86Å; T202-D204 PolarHBondContact O-N 3.16Å; T202-D204 VanDerWaalsContact O-N 3.15Å; T202-F205 WeakPolarHBondContact O-CB 3.31Å; T202-F205 PolarHBondContact O-N 2.86Å; T202-F205 PolarHBondContact OG1-N 2.9Å; T202-Y206 PolarHBondContact O-N 3.46Å | ||
| 203 | A | 59.5 | Low | 61.3 | Low | 14 Ų | 14 | 58.5 Ų | 58.5 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -50.4 | -37.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F205 Y206 A207 I230 F234 | A203-F205 VanDerWaalsContact C-N 3.32Å; A203-F205 PolarHBondContact O-N 3.42Å; A203-Y206 PolarHBondContact O-N 3.43Å; A203-A207 WeakPolarHBondContact O-CB 3.35Å; A203-A207 PolarHBondContact O-N 2.92Å; A203-I230 HydrophobicContact CB-CG2 4.25Å; A203-I230 WeakPolarHBondContact O-CG2 3.44Å; A203-F234 HydrophobicContact CB-CB 4.1Å; A203-F234 HydrophobicContact CB-CG 4.42Å |
| 204 | D | 64.8 | Low | 61.7 | Low | 112 Ų | 112 | 58.5 Ų | 58.5 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | 177.1 | -58.7 | -21.1 | 0 | 0 | 0 | 113.1 | T202 Q208 | T202-D204 PolarHBondContact O-N 3.16Å; T202-D204 VanDerWaalsContact O-N 3.15Å; D204-Q208 WeakPolarHBondContact O-CB 3.1Å; D204-Q208 VanDerWaalsContact O-CG 3.24Å; D204-Q208 WeakPolarHBondContact O-CG 3.31Å; D204-Q208 PolarHBondContact O-N 3.45Å |
| 205 | F | 67 | Low | 62.2 | Low | 99 Ų | 99 | 54.5 Ų | 54.5 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 176.1 | 173 | -85.5 | 0 | 0 | 0 | 111.2 | V201 T202 A203 Q208 K209 | V201-F205 HydrophobicContact CB-CD1 4.48Å; V201-F205 HydrophobicContact CG1-CB 3.68Å; V201-F205 HydrophobicContact CG1-CD1 2.97Å; V201-F205 HydrophobicContact CG1-CD2 4.31Å; V201-F205 HydrophobicContact CG1-CE1 3.56Å; V201-F205 HydrophobicContact CG1-CG 3.4Å; V201-F205 HydrophobicContact CG1-CZ 4.43Å; T202-F205 WeakPolarHBondContact O-CB 3.31Å; T202-F205 PolarHBondContact O-N 2.86Å; T202-F205 PolarHBondContact OG1-N 2.9Å; A203-F205 VanDerWaalsContact C-N 3.32Å; A203-F205 PolarHBondContact O-N 3.42Å; F205-Q208 PolarHBondContact O-N 2.94Å; F205-K209 HydrophobicContact CE1-CD 4.25Å; F205-K209 WeakPolarHBondContact O-CB 3.27Å; F205-K209 PolarHBondContact O-N 2.87Å |
| 206 | Y | 63.4 | Low | 62.5 | Low | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.5 | -34.5 | -179.4 | -69.6 | -65.7 | 0 | 0 | 0 | 112.3 | I84 D87 M88 V201 T202 A203 K209 F210 | I84-Y206 HydrophobicContact CG2-CD1 3.69Å; I84-Y206 HydrophobicContact CG2-CE1 4.5Å; I84-Y206 HydrophobicContact CG2-CG 4.09Å; D87-Y206 HydrophobicContact CB-CE1 4.11Å; M88-Y206 WeakPolarHBondContact CA-OH 3.46Å; M88-Y206 HydrophobicContact CB-CE1 4.48Å; M88-Y206 HydrophobicContact CE-CD1 3.9Å; M88-Y206 HydrophobicContact CE-CD2 3.28Å; M88-Y206 HydrophobicContact CE-CE1 4.41Å; M88-Y206 HydrophobicContact CE-CE2 3.85Å; M88-Y206 HydrophobicContact CE-CG 3.29Å; M88-Y206 HydrophobicContact CG-CD1 3.97Å; M88-Y206 HydrophobicContact CG-CD2 3.9Å; M88-Y206 HydrophobicContact CG-CE1 3.53Å; M88-Y206 HydrophobicContact CG-CE2 3.43Å; M88-Y206 VanDerWaalsContact CG-CE2 3.43Å; M88-Y206 HydrophobicContact CG-CG 4.13Å; M88-Y206 HydrophobicContact SD-CD2 4.39Å; M88-Y206 HydrophobicContact SD-CE2 4.41Å; V201-Y206 HydrophobicContact CB-CD2 4.43Å; V201-Y206 HydrophobicContact CB-CE2 3.56Å; V201-Y206 HydrophobicContact CG1-CD1 4.47Å; V201-Y206 HydrophobicContact CG1-CD2 3.78Å; V201-Y206 HydrophobicContact CG1-CE1 3.99Å; V201-Y206 HydrophobicContact CG1-CE2 3.21Å; V201-Y206 HydrophobicContact CG1-CG 4.38Å; T202-Y206 PolarHBondContact O-N 3.46Å; A203-Y206 PolarHBondContact O-N 3.43Å; Y206-K209 PolarHBondContact O-N 3.33Å; Y206-F210 WeakPolarHBondContact O-CB 3.35Å; Y206-F210 PolarHBondContact O-N 3.45Å |
| 207 | A | 64.2 | Low | 62.5 | Low | 10 Ų | 10 | 62.3 Ų | 62.3 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A203 K209 F210 D211 D227 | A203-A207 WeakPolarHBondContact O-CB 3.35Å; A203-A207 PolarHBondContact O-N 2.92Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 2.93Å; A207-F210 WeakPolarHBondContact O-CB 3.29Å; A207-F210 PolarHBondContact O-N 3.27Å; A207-F210 VanDerWaalsContact O-N 3.17Å; A207-D211 PolarHBondContact O-N 2.05Å; A207-D227 HydrophobicContact CB-CB 4.44Å; A207-D227 WeakPolarHBondContact CB-OD1 3.27Å |
| 208 | Q | 68.2 | Low | 62.3 | Low | 128 Ų | 128 | 65.8 Ų | 65.8 | 60% | 0.598 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.4 | -36.9 | 176.2 | -72.1 | 171.1 | 18.6 | 0 | 0 | 112.9 | D204 F205 F210 D211 S212 | D204-Q208 WeakPolarHBondContact O-CB 3.1Å; D204-Q208 VanDerWaalsContact O-CG 3.24Å; D204-Q208 WeakPolarHBondContact O-CG 3.31Å; D204-Q208 PolarHBondContact O-N 3.45Å; F205-Q208 PolarHBondContact O-N 2.94Å; Q208-F210 VanDerWaalsContact C-N 3.33Å; Q208-D211 PolarHBondContact O-N 3.36Å; Q208-S212 WeakPolarHBondContact O-CB 3.42Å; Q208-S212 PolarHBondContact O-N 3.16Å |
| 209 | K | 69.4 | Low | 62.4 | Low | 77 Ų | 77 | 62.2 Ų | 62.2 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 175.5 | -167.4 | 169.1 | -171.6 | 170.6 | 0 | 111.4 | I84 D87 F205 Y206 A207 S212 C213 | I84-K209 HydrophobicContact CD1-CB 4.46Å; I84-K209 HydrophobicContact CG1-CB 4.45Å; I84-K209 HydrophobicContact CG1-CD 4.4Å; I84-K209 HydrophobicContact CG1-CG 4.3Å; D87-K209 IonicContact OD1-NZ 3.1Å; D87-K209 PolarHBondContact OD1-NZ 2.89Å; D87-K209 WeakPolarHBondContact OD2-CE 3.19Å; D87-K209 IonicContact OD2-NZ 2.84Å; D87-K209 PolarHBondContact OD2-NZ 3.08Å; F205-K209 HydrophobicContact CE1-CD 4.25Å; F205-K209 WeakPolarHBondContact O-CB 3.27Å; F205-K209 PolarHBondContact O-N 2.87Å; Y206-K209 PolarHBondContact O-N 3.33Å; A207-K209 VanDerWaalsContact C-N 3.32Å; A207-K209 PolarHBondContact O-N 2.93Å; K209-S212 PolarHBondContact O-N 2.93Å; K209-C213 WeakPolarHBondContact O-CB 3.32Å; K209-C213 PolarHBondContact O-N 3.42Å |
| 210 | F | 66.7 | Low | 62.5 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 173.7 | -173.6 | -106.3 | 0 | 0 | 0 | 110.7 | Y77 C80 L81 I84 Y206 A207 Q208 S212 C213 I214 I226 I230 | Y77-F210 HydrophobicContact CD1-CE1 4.43Å; Y77-F210 AromaticContact CD1-CZ 3.64Å; Y77-F210 HydrophobicContact CD1-CZ 3.64Å; Y77-F210 HydrophobicContact CE1-CE1 4.25Å; Y77-F210 AromaticContact CE1-CZ 3.9Å; Y77-F210 HydrophobicContact CE1-CZ 3.9Å; Y77-F210 HydrophobicContact CG-CZ 4.26Å; C80-F210 HydrophobicContact CB-CD2 3.91Å; C80-F210 HydrophobicContact CB-CE2 3.83Å; L81-F210 HydrophobicContact CD1-CE2 4.49Å; L81-F210 HydrophobicContact CD2-CD2 3.93Å; L81-F210 HydrophobicContact CD2-CE2 3.81Å; L81-F210 HydrophobicContact CG-CD2 4.23Å; L81-F210 HydrophobicContact CG-CE2 3.72Å; I84-F210 VanDerWaalsContact CD1-CA 3.47Å; I84-F210 HydrophobicContact CD1-CB 3.44Å; I84-F210 VanDerWaalsContact CD1-CB 3.44Å; I84-F210 HydrophobicContact CD1-CD2 3.85Å; I84-F210 HydrophobicContact CD1-CG 4.13Å; Y206-F210 WeakPolarHBondContact O-CB 3.35Å; Y206-F210 PolarHBondContact O-N 3.45Å; A207-F210 WeakPolarHBondContact O-CB 3.29Å; A207-F210 PolarHBondContact O-N 3.27Å; A207-F210 VanDerWaalsContact O-N 3.17Å; Q208-F210 VanDerWaalsContact C-N 3.33Å; F210-S212 VanDerWaalsContact C-N 3.29Å; F210-S212 PolarHBondContact O-N 3.31Å; F210-C213 WeakPolarHBondContact O-CB 3.3Å; F210-C213 PolarHBondContact O-N 2.86Å; F210-I214 HydrophobicContact CD1-CD1 4.19Å; F210-I214 HydrophobicContact CD1-CG2 4.41Å; F210-I214 HydrophobicContact CD2-CG2 4.31Å; F210-I214 HydrophobicContact CE1-CD1 3.81Å; F210-I214 HydrophobicContact CE1-CG2 3.93Å; F210-I214 HydrophobicContact CE2-CG2 3.79Å; F210-I214 HydrophobicContact CZ-CD1 4.48Å; F210-I214 HydrophobicContact CZ-CG2 3.59Å; F210-I214 WeakPolarHBondContact O-CG1 3.36Å; F210-I214 PolarHBondContact O-N 2.87Å; F210-I226 HydrophobicContact CD1-CB 4.28Å; F210-I226 HydrophobicContact CD1-CG2 3.65Å; F210-I226 HydrophobicContact CD2-CG2 4.17Å; F210-I226 HydrophobicContact CE1-CB 3.89Å; F210-I226 HydrophobicContact CE1-CG1 4Å; F210-I226 HydrophobicContact CE1-CG2 3.58Å; F210-I226 HydrophobicContact CE2-CG2 4.14Å; F210-I226 HydrophobicContact CG-CG2 3.95Å; F210-I226 HydrophobicContact CZ-CB 4.31Å; F210-I226 HydrophobicContact CZ-CG1 4.05Å; F210-I226 HydrophobicContact CZ-CG2 3.83Å; F210-I230 HydrophobicContact CB-CD1 4.23Å |
| 211 | D | 68.9 | Low | 62.6 | Low | 35 Ų | 35 | 65.6 Ų | 65.6 | 19% | 0.187 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -54.4 | -45.4 | 177.4 | -65.3 | -23.9 | 0 | 0 | 0 | 112.4 | A207 Q208 C213 I214 G215 K223 | A207-D211 PolarHBondContact O-N 2.05Å; Q208-D211 PolarHBondContact O-N 3.36Å; D211-C213 VanDerWaalsContact C-N 3.33Å; D211-C213 PolarHBondContact O-N 3.44Å; D211-I214 WeakPolarHBondContact O-CG1 3.04Å; D211-G215 PolarHBondContact O-N 3.47Å; D211-G215 VanDerWaalsContact O-N 3.14Å; D211-K223 WeakPolarHBondContact OD1-CE 3.49Å; D211-K223 VanDerWaalsContact OD1-CG 3.24Å; D211-K223 WeakPolarHBondContact OD1-CG 3.48Å; D211-K223 IonicContact OD1-NZ 2.77Å; D211-K223 PolarHBondContact OD1-NZ 2.62Å; D211-K223 WeakPolarHBondContact OD2-CE 3.29Å; D211-K223 IonicContact OD2-NZ 2.67Å; D211-K223 PolarHBondContact OD2-NZ 3.24Å |
| 212 | S | 74.7 | Confident | 62.2 | Low | 101 Ų | 101 | 64.7 Ų | 64.7 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 178 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | Q208 K209 F210 | Q208-S212 WeakPolarHBondContact O-CB 3.42Å; Q208-S212 PolarHBondContact O-N 3.16Å; K209-S212 PolarHBondContact O-N 2.93Å; F210-S212 VanDerWaalsContact C-N 3.29Å; F210-S212 PolarHBondContact O-N 3.31Å |
| 213 | C | 72.4 | Confident | 61.8 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 37% | 0.372 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.3 | -41.7 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | C80 K209 F210 D211 G215 | C80-C213 WeakPolarHBondContact CA-SG 3.5Å; C80-C213 HydrophobicContact CB-CB 3.74Å; C80-C213 WeakPolarHBondContact CB-SG 3.36Å; C80-C213 WeakPolarHBondContact SG-CB 3.49Å; C80-C213 CovalentContact SG-SG 2.03Å; C80-C213 PolarHBondContact SG-SG 3.23Å; K209-C213 WeakPolarHBondContact O-CB 3.32Å; K209-C213 PolarHBondContact O-N 3.42Å; F210-C213 WeakPolarHBondContact O-CB 3.3Å; F210-C213 PolarHBondContact O-N 2.86Å; D211-C213 VanDerWaalsContact C-N 3.33Å; D211-C213 PolarHBondContact O-N 3.44Å; C213-G215 VanDerWaalsContact C-N 3.33Å |
| 214 | I | 66.8 | Low | 61.7 | Low | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.092 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -77.7 | -19.6 | 179.3 | 66.2 | 172.4 | 0 | 0 | 0 | 113 | Y77 C80 F210 D211 L217 | Y77-I214 HydrophobicContact CD2-CG2 4.03Å; Y77-I214 HydrophobicContact CE2-CB 4.17Å; Y77-I214 HydrophobicContact CE2-CG2 3.97Å; Y77-I214 HydrophobicContact CG-CG2 4.36Å; C80-I214 HydrophobicContact CB-CG2 4.23Å; F210-I214 HydrophobicContact CD1-CD1 4.19Å; F210-I214 HydrophobicContact CD1-CG2 4.41Å; F210-I214 HydrophobicContact CD2-CG2 4.31Å; F210-I214 HydrophobicContact CE1-CD1 3.81Å; F210-I214 HydrophobicContact CE1-CG2 3.93Å; F210-I214 HydrophobicContact CE2-CG2 3.79Å; F210-I214 HydrophobicContact CZ-CD1 4.48Å; F210-I214 HydrophobicContact CZ-CG2 3.59Å; F210-I214 WeakPolarHBondContact O-CG1 3.36Å; F210-I214 PolarHBondContact O-N 2.87Å; D211-I214 WeakPolarHBondContact O-CG1 3.04Å; I214-L217 HydrophobicContact CB-CD1 4.46Å |
| 215 | G | 66.1 | Low | 61.2 | Low | 50 Ų | 50 | 66.3 Ų | 66.3 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 80.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D211 C213 L217 | D211-G215 PolarHBondContact O-N 3.47Å; D211-G215 VanDerWaalsContact O-N 3.14Å; C213-G215 VanDerWaalsContact C-N 3.33Å; G215-L217 PolarHBondContact O-N 3.26Å; G215-L217 VanDerWaalsContact O-N 3.11Å |
| 216 | N | 58.8 | Low | 60.6 | Low | 165 Ų | 165 | 61.9 Ų | 61.9 | 88% | 0.882 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 32.6 | 63.3 | 171.3 | -85.6 | -10.4 | 0 | 0 | 0 | 114.3 | ||
| 217 | L | 51.6 | Low | 60.3 | Low | 72 Ų | 72 | 63.3 Ų | 63.3 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | trans | -82.7 | 153.2 | 174.9 | -90.9 | 161.6 | 0 | 0 | 0 | 112.2 | T73 Y77 I214 G215 A219 | T73-L217 HydrophobicContact CG2-CD1 4.16Å; Y77-L217 HydrophobicContact CE2-CD1 3.58Å; I214-L217 HydrophobicContact CB-CD1 4.46Å; G215-L217 PolarHBondContact O-N 3.26Å; G215-L217 VanDerWaalsContact O-N 3.11Å; L217-A219 PolarHBondContact O-N 2.96Å | ||
| 218 | S | 49.4 | Very low | 59.9 | Low | 118 Ų | 118 | 67.2 Ų | 67.2 | 83% | 0.825 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -73.3 | 12.2 | -167.6 | 48.5 | 0 | 0 | 0 | 0 | 116.3 | P220 | S218-P220 WeakPolarHBondContact O-CD 3.4Š|
| 219 | A | 54.1 | Low | 59.1 | Low | 27 Ų | 27 | 61.6 Ų | 61.6 | 22% | 0.223 | 36% | 0.363 | C | S | . | . | trans | -119.6 | 81.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L217 E221 T222 K223 | L217-A219 PolarHBondContact O-N 2.96Å; A219-E221 PolarHBondContact O-N 2.91Å; A219-T222 WeakPolarHBondContact CB-OG1 3.44Å; A219-T222 PolarHBondContact O-N 3.32Å; A219-K223 PolarHBondContact O-N 3.49Å | ||
| 220 | P | 56.3 | Low | 58.4 | Low | 88 Ų | 88 | 58 Ų | 58 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.5 | -32.2 | 178 | -22.6 | 32.4 | 0 | 0 | 0 | 113.3 | S218 T222 K223 A224 | S218-P220 WeakPolarHBondContact O-CD 3.4Å; P220-T222 PolarHBondContact O-N 3.05Å; P220-K223 WeakPolarHBondContact O-CB 3.41Å; P220-A224 PolarHBondContact O-N 3.36Å; P220-A224 VanDerWaalsContact O-N 3.11Å |
| 221 | E | 50.6 | Low | 57.8 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -30.7 | 176.4 | -63.3 | 91.3 | 168.9 | 0 | 0 | 111.7 | Q131 A219 A224 F225 | Q131-E221 PolarHBondContact OE1-O 3.23Å; A219-E221 PolarHBondContact O-N 2.91Å; E221-A224 PolarHBondContact O-N 3.19Å; E221-F225 PolarHBondContact O-N 3.42Å |
| 222 | T | 50.9 | Low | 56.8 | Low | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.025 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.5 | -41.1 | -172.3 | -48.2 | 0 | 0 | 0 | 0 | 108.3 | Y77 I128 Q131 A219 P220 A224 F225 I226 | Y77-T222 HydrophobicContact CD1-CG2 4.35Å; Y77-T222 HydrophobicContact CE1-CG2 3.67Å; I128-T222 HydrophobicContact CG1-CG2 4.4Å; Q131-T222 VanDerWaalsContact CD-CA 3.48Å; Q131-T222 VanDerWaalsContact OE1-CB 3.27Å; Q131-T222 PolarHBondContact OE1-OG1 3.2Å; A219-T222 WeakPolarHBondContact CB-OG1 3.44Å; A219-T222 PolarHBondContact O-N 3.32Å; P220-T222 PolarHBondContact O-N 3.05Å; T222-A224 VanDerWaalsContact C-N 3.33Å; T222-A224 PolarHBondContact O-N 2.62Å; T222-F225 PolarHBondContact O-N 3.45Å; T222-I226 VanDerWaalsContact O-CG1 3.31Å; T222-I226 WeakPolarHBondContact O-CG1 3.08Å; T222-I226 PolarHBondContact O-N 2.88Å |
| 223 | K | 54.2 | Low | 55.5 | Low | 64 Ų | 64 | 56.6 Ų | 56.6 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.7 | -51.4 | 168.3 | -170.5 | -157.9 | 179.1 | -28.7 | 0 | 110.9 | D211 A219 P220 F225 I226 D227 | D211-K223 WeakPolarHBondContact OD1-CE 3.49Å; D211-K223 VanDerWaalsContact OD1-CG 3.24Å; D211-K223 WeakPolarHBondContact OD1-CG 3.48Å; D211-K223 IonicContact OD1-NZ 2.77Å; D211-K223 PolarHBondContact OD1-NZ 2.62Å; D211-K223 WeakPolarHBondContact OD2-CE 3.29Å; D211-K223 IonicContact OD2-NZ 2.67Å; D211-K223 PolarHBondContact OD2-NZ 3.24Å; A219-K223 PolarHBondContact O-N 3.49Å; P220-K223 WeakPolarHBondContact O-CB 3.41Å; K223-F225 VanDerWaalsContact C-N 3.34Å; K223-F225 PolarHBondContact O-N 3.27Å; K223-I226 PolarHBondContact O-N 3.41Å; K223-D227 IonicContact NZ-OD1 3.79Å; K223-D227 IonicContact NZ-OD2 2.75Å; K223-D227 PolarHBondContact NZ-OD2 2.89Å; K223-D227 WeakPolarHBondContact O-CB 3.48Å; K223-D227 PolarHBondContact O-N 3.47Å |
| 224 | A | 58.5 | Low | 54.5 | Low | 58 Ų | 58 | 55.4 Ų | 55.4 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P220 E221 T222 N228 | P220-A224 PolarHBondContact O-N 3.36Å; P220-A224 VanDerWaalsContact O-N 3.11Å; E221-A224 PolarHBondContact O-N 3.19Å; T222-A224 VanDerWaalsContact C-N 3.33Å; T222-A224 PolarHBondContact O-N 2.62Å; A224-N228 WeakPolarHBondContact O-CB 3.46Å; A224-N228 PolarHBondContact O-N 2.93Å |
| 225 | F | 53 | Low | 53.7 | Low | 106 Ų | 106 | 61 Ų | 61 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 174.9 | 175.4 | -108.5 | 0 | 0 | 0 | 111.9 | E221 T222 K223 N228 I229 | E221-F225 PolarHBondContact O-N 3.42Å; T222-F225 PolarHBondContact O-N 3.45Å; K223-F225 VanDerWaalsContact C-N 3.34Å; K223-F225 PolarHBondContact O-N 3.27Å; F225-N228 PolarHBondContact O-N 3.38Å; F225-I229 HydrophobicContact CD1-CD1 3.63Å; F225-I229 HydrophobicContact CD2-CD1 4.44Å; F225-I229 HydrophobicContact CE1-CD1 3.19Å; F225-I229 HydrophobicContact CE1-CG1 4.37Å; F225-I229 HydrophobicContact CE2-CD1 4.08Å; F225-I229 HydrophobicContact CG-CD1 4.25Å; F225-I229 HydrophobicContact CZ-CD1 3.45Å; F225-I229 VanDerWaalsContact CZ-CD1 3.45Å; F225-I229 HydrophobicContact CZ-CG1 4.28Å; F225-I229 WeakPolarHBondContact O-CG1 3.31Å; F225-I229 PolarHBondContact O-N 3.45Å |
| 226 | I | 54.3 | Low | 52.7 | Low | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.6 | -64.7 | -61 | 0 | 0 | 0 | 111.7 | L81 F210 T222 K223 N228 I229 I230 | L81-I226 HydrophobicContact CD1-CD1 3.99Å; L81-I226 HydrophobicContact CD2-CG2 3.79Å; F210-I226 HydrophobicContact CD1-CB 4.28Å; F210-I226 HydrophobicContact CD1-CG2 3.65Å; F210-I226 HydrophobicContact CD2-CG2 4.17Å; F210-I226 HydrophobicContact CE1-CB 3.89Å; F210-I226 HydrophobicContact CE1-CG1 4Å; F210-I226 HydrophobicContact CE1-CG2 3.58Å; F210-I226 HydrophobicContact CE2-CG2 4.14Å; F210-I226 HydrophobicContact CG-CG2 3.95Å; F210-I226 HydrophobicContact CZ-CB 4.31Å; F210-I226 HydrophobicContact CZ-CG1 4.05Å; F210-I226 HydrophobicContact CZ-CG2 3.83Å; T222-I226 VanDerWaalsContact O-CG1 3.31Å; T222-I226 WeakPolarHBondContact O-CG1 3.08Å; T222-I226 PolarHBondContact O-N 2.88Å; K223-I226 PolarHBondContact O-N 3.41Å; I226-N228 VanDerWaalsContact C-N 3.26Å; I226-N228 PolarHBondContact O-N 2.88Å; I226-I229 HydrophobicContact CD1-CD1 3.99Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 PolarHBondContact O-N 3.31Å; I226-I230 HydrophobicContact CG2-CD1 3.89Å; I226-I230 HydrophobicContact CG2-CG1 4.35Å; I226-I230 WeakPolarHBondContact O-CG1 3.44Å; I226-I230 PolarHBondContact O-N 2.9Å |
| 227 | D | 58 | Low | 52.1 | Low | 38 Ų | 38 | 53.1 Ų | 53.1 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 175.5 | -72.3 | -12.7 | 0 | 0 | 0 | 110.7 | A207 K223 I230 S231 | A207-D227 HydrophobicContact CB-CB 4.44Å; A207-D227 WeakPolarHBondContact CB-OD1 3.27Å; K223-D227 IonicContact NZ-OD1 3.79Å; K223-D227 IonicContact NZ-OD2 2.75Å; K223-D227 PolarHBondContact NZ-OD2 2.89Å; K223-D227 WeakPolarHBondContact O-CB 3.48Å; K223-D227 PolarHBondContact O-N 3.47Å; D227-I230 PolarHBondContact O-N 2.85Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 2.96Å |
| 228 | N | 54.5 | Low | 51.9 | Low | 91 Ų | 91 | 55 Ų | 55 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.4 | -165.8 | 36.9 | 0 | 0 | 0 | 111.7 | A224 F225 I226 I230 S231 I232 | A224-N228 WeakPolarHBondContact O-CB 3.46Å; A224-N228 PolarHBondContact O-N 2.93Å; F225-N228 PolarHBondContact O-N 3.38Å; I226-N228 VanDerWaalsContact C-N 3.26Å; I226-N228 PolarHBondContact O-N 2.88Å; N228-I230 VanDerWaalsContact C-N 3.34Å; N228-I230 PolarHBondContact O-N 2.85Å; N228-S231 WeakPolarHBondContact O-CB 3.47Å; N228-S231 PolarHBondContact O-N 3.02Å; N228-I232 WeakPolarHBondContact O-CB 3.4Å; N228-I232 VanDerWaalsContact O-CG1 3.3Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.91Å |
| 229 | I | 52.3 | Low | 51.7 | Low | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.9 | -49.5 | 172 | -73.6 | 162.3 | 0 | 0 | 0 | 110.1 | E2 F225 I226 S231 I232 L233 | E2-I229 HydrophobicContact CG-CG1 4.2Å; E2-I229 HydrophobicContact CG-CG2 3.85Å; E2-I229 VanDerWaalsContact OE1-CG1 3.27Å; E2-I229 WeakPolarHBondContact OE1-CG1 3.45Å; F225-I229 HydrophobicContact CD1-CD1 3.63Å; F225-I229 HydrophobicContact CD2-CD1 4.44Å; F225-I229 HydrophobicContact CE1-CD1 3.19Å; F225-I229 HydrophobicContact CE1-CG1 4.37Å; F225-I229 HydrophobicContact CE2-CD1 4.08Å; F225-I229 HydrophobicContact CG-CD1 4.25Å; F225-I229 HydrophobicContact CZ-CD1 3.45Å; F225-I229 VanDerWaalsContact CZ-CD1 3.45Å; F225-I229 HydrophobicContact CZ-CG1 4.28Å; F225-I229 WeakPolarHBondContact O-CG1 3.31Å; F225-I229 PolarHBondContact O-N 3.45Å; I226-I229 HydrophobicContact CD1-CD1 3.99Å; I226-I229 WeakPolarHBondContact O-CB 3.49Å; I226-I229 PolarHBondContact O-N 3.31Å; I229-S231 VanDerWaalsContact C-N 3.29Å; I229-S231 PolarHBondContact O-N 3.33Å; I229-I232 PolarHBondContact O-N 3.26Å; I229-L233 HydrophobicContact CG2-CD1 3.57Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 VanDerWaalsContact O-CB 3.23Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.19Å; I229-L233 PolarHBondContact O-N 3.47Å |
| 230 | I | 53.6 | Low | 51.1 | Low | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 178.2 | -71.2 | 170.5 | 0 | 0 | 0 | 111 | M88 A203 F210 I226 D227 N228 L233 F234 | M88-I230 HydrophobicContact CE-CG2 3.92Å; A203-I230 HydrophobicContact CB-CG2 4.25Å; A203-I230 WeakPolarHBondContact O-CG2 3.44Å; F210-I230 HydrophobicContact CB-CD1 4.23Å; I226-I230 HydrophobicContact CG2-CD1 3.89Å; I226-I230 HydrophobicContact CG2-CG1 4.35Å; I226-I230 WeakPolarHBondContact O-CG1 3.44Å; I226-I230 PolarHBondContact O-N 2.9Å; D227-I230 PolarHBondContact O-N 2.85Å; N228-I230 VanDerWaalsContact C-N 3.34Å; N228-I230 PolarHBondContact O-N 2.85Å; I230-L233 WeakPolarHBondContact O-CB 3.32Å; I230-L233 PolarHBondContact O-N 3.23Å; I230-F234 WeakPolarHBondContact O-CB 3.29Å; I230-F234 PolarHBondContact O-N 3.33Å |
| 231 | S | 54.1 | Low | 50.3 | Low | 33 Ų | 33 | 51.8 Ų | 51.8 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.7 | -46.5 | 178 | -167.8 | 0 | 0 | 0 | 0 | 112.8 | D227 N228 I229 L233 F234 K235 | D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 2.96Å; N228-S231 WeakPolarHBondContact O-CB 3.47Å; N228-S231 PolarHBondContact O-N 3.02Å; I229-S231 VanDerWaalsContact C-N 3.29Å; I229-S231 PolarHBondContact O-N 3.33Å; S231-L233 VanDerWaalsContact C-N 3.27Å; S231-L233 PolarHBondContact O-N 3.18Å; S231-F234 PolarHBondContact O-N 2.82Å; S231-K235 WeakPolarHBondContact O-CG 3.26Å; S231-K235 PolarHBondContact O-N 3.06Å |
| 232 | I | 48.2 | Very low | 50.3 | Low | 46 Ų | 46 | 48.9 Ų | 48.9 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 173.9 | -69.5 | 167.2 | 0 | 0 | 0 | 109.2 | N228 I229 F234 K235 I236 | N228-I232 WeakPolarHBondContact O-CB 3.4Å; N228-I232 VanDerWaalsContact O-CG1 3.3Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.91Å; I229-I232 PolarHBondContact O-N 3.26Å; I232-F234 VanDerWaalsContact C-N 3.29Å; I232-F234 PolarHBondContact O-N 3.17Å; I232-K235 PolarHBondContact O-N 3.46Å; I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 PolarHBondContact O-N 3.24Å |
| 233 | L | 48.6 | Very low | 50.3 | Low | 26 Ų | 26 | 51.3 Ų | 51.3 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.2 | -49.3 | 176.9 | -77.8 | 167.7 | 0 | 0 | 0 | 111.3 | H6 I229 I230 S231 I237 | H6-L233 VanDerWaalsContact CD2-CD2 3.49Å; H6-L233 WeakPolarHBondContact CD2-CD2 3.34Å; H6-L233 WeakPolarHBondContact CE1-CA 3.32Å; H6-L233 VanDerWaalsContact CE1-CD2 3.41Å; H6-L233 WeakPolarHBondContact CE1-CD2 3.41Å; H6-L233 PolarHBondContact CE1-O 3.05Å; H6-L233 VanDerWaalsContact CE1-O 3.28Å; H6-L233 WeakPolarHBondContact NE2-CA 3.06Å; H6-L233 WeakPolarHBondContact NE2-CD2 3.5Å; I229-L233 HydrophobicContact CG2-CD1 3.57Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 VanDerWaalsContact O-CB 3.23Å; I229-L233 WeakPolarHBondContact O-CB 3.45Å; I229-L233 WeakPolarHBondContact O-CG 3.19Å; I229-L233 PolarHBondContact O-N 3.47Å; I230-L233 WeakPolarHBondContact O-CB 3.32Å; I230-L233 PolarHBondContact O-N 3.23Å; S231-L233 VanDerWaalsContact C-N 3.27Å; S231-L233 PolarHBondContact O-N 3.18Å; L233-I237 WeakPolarHBondContact O-CD1 3.08Å; L233-I237 VanDerWaalsContact O-CG1 3.29Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3.47Å |
| 234 | F | 50.9 | Low | 50.1 | Low | 30 Ų | 30 | 50.6 Ų | 50.6 | 13% | 0.132 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | -179 | -158.7 | -103.3 | 0 | 0 | 0 | 113.2 | V201 A203 I230 S231 I232 R238 | V201-F234 WeakPolarHBondContact O-CE2 3.49Å; V201-F234 WeakPolarHBondContact O-CZ 3.04Å; A203-F234 HydrophobicContact CB-CB 4.1Å; A203-F234 HydrophobicContact CB-CG 4.42Å; I230-F234 WeakPolarHBondContact O-CB 3.29Å; I230-F234 PolarHBondContact O-N 3.33Å; S231-F234 PolarHBondContact O-N 2.82Å; I232-F234 VanDerWaalsContact C-N 3.29Å; I232-F234 PolarHBondContact O-N 3.17Å; F234-R238 HydrophobicContact CE1-CG 4.39Å; F234-R238 PolarHBondContact O-N 3.46Å |
| 235 | K | 50.9 | Low | 49.6 | Very low | 136 Ų | 136 | 50.1 Ų | 50.1 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.8 | -43.9 | 178.7 | -76.3 | 172.3 | -176.5 | 168 | 0 | 112.3 | S231 I232 R238 S239 | S231-K235 WeakPolarHBondContact O-CG 3.26Å; S231-K235 PolarHBondContact O-N 3.06Å; I232-K235 PolarHBondContact O-N 3.46Å; K235-R238 PolarHBondContact O-N 2.66Å; K235-S239 PolarHBondContact O-N 3.35Å; K235-S239 PolarHBondContact O-OG 3.17Å |
| 236 | I | 43.2 | Very low | 49.4 | Very low | 33 Ų | 33 | 46.6 Ų | 46.6 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -43.2 | -178.2 | -72.1 | 161 | 0 | 0 | 0 | 110.9 | H6 I232 R238 S239 D240 | H6-I236 WeakPolarHBondContact CE1-CB 3.4Å; H6-I236 VanDerWaalsContact CE1-CG2 3.44Å; H6-I236 WeakPolarHBondContact CE1-CG2 3.13Å; H6-I236 VanDerWaalsContact ND1-CG2 3.33Å; H6-I236 WeakPolarHBondContact ND1-CG2 3.44Å; H6-I236 VanDerWaalsContact NE2-CD1 3.28Å; H6-I236 WeakPolarHBondContact NE2-CD1 3.35Å; I232-I236 HydrophobicContact CG2-CD1 3.69Å; I232-I236 PolarHBondContact O-N 3.24Å; I236-R238 VanDerWaalsContact C-N 3.25Å; I236-R238 PolarHBondContact O-N 3.26Å; I236-S239 WeakPolarHBondContact CA-OG 3.24Å; I236-S239 PolarHBondContact O-N 3.12Å; I236-S239 PolarHBondContact O-OG 3.29Å; I236-D240 PolarHBondContact O-N 3.28Å |
| 237 | I | 46.4 | Very low | 49.1 | Very low | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.082 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -53.3 | -48.2 | 174.3 | -69.6 | 166.5 | 0 | 0 | 0 | 109.6 | V9 L233 S239 D240 L241 | V9-I237 HydrophobicContact CG1-CD1 3.92Å; V9-I237 HydrophobicContact CG1-CG1 3.95Å; L233-I237 WeakPolarHBondContact O-CD1 3.08Å; L233-I237 VanDerWaalsContact O-CG1 3.29Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 3.47Å; I237-S239 VanDerWaalsContact C-N 3.32Å; I237-S239 PolarHBondContact O-N 3.01Å; I237-D240 PolarHBondContact O-N 3.38Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CD1 3.44Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 3.29Å |
| 238 | R | 48 | Very low | 48.4 | Very low | 112 Ų | 112 | 50.1 Ų | 50.1 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.8 | -23.3 | 177.6 | -83.8 | -172.9 | 163.2 | -179 | -4.4 | 115.4 | S197 F234 K235 I236 | S197-R238 PolarHBondContact O-NH2 3.5Å; F234-R238 HydrophobicContact CE1-CG 4.39Å; F234-R238 PolarHBondContact O-N 3.46Å; K235-R238 PolarHBondContact O-N 2.66Å; I236-R238 VanDerWaalsContact C-N 3.25Å; I236-R238 PolarHBondContact O-N 3.26Å |
| 239 | S | 45 | Very low | 48 | Very low | 66 Ų | 66 | 47 Ų | 47 | 46% | 0.462 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -87.2 | -20.3 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | Y159 K235 I236 I237 | Y159-S239 PolarHBondContact OH-OG 3.46Å; K235-S239 PolarHBondContact O-N 3.35Å; K235-S239 PolarHBondContact O-OG 3.17Å; I236-S239 WeakPolarHBondContact CA-OG 3.24Å; I236-S239 PolarHBondContact O-N 3.12Å; I236-S239 PolarHBondContact O-OG 3.29Å; I237-S239 VanDerWaalsContact C-N 3.32Å; I237-S239 PolarHBondContact O-N 3.01Å |
| 240 | D | 42.7 | Very low | 47.6 | Very low | 31 Ų | 31 | 50 Ų | 50 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -84.9 | -18.3 | 177.7 | -83.7 | -15 | 0 | 0 | 0 | 112.4 | T10 K166 I236 I237 | T10-D240 HydrophobicContact CG2-CB 4.08Å; T10-D240 PolarHBondContact OG1-OD2 3.33Å; T10-D240 VanDerWaalsContact OG1-OD2 3.06Å; K166-D240 VanDerWaalsContact NZ-CG 3.3Å; K166-D240 IonicContact NZ-OD1 3.2Å; K166-D240 PolarHBondContact NZ-OD1 2.88Å; K166-D240 IonicContact NZ-OD2 3.85Å; K166-D240 PolarHBondContact NZ-OD2 3.13Å; I236-D240 PolarHBondContact O-N 3.28Å; I237-D240 PolarHBondContact O-N 3.38Å |
| 241 | L | 39.5 | Very low | 47 | Very low | 69 Ų | 69 | 54.4 Ų | 54.4 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | trans | -89.4 | 0 | 172.5 | -75.3 | 163.1 | 0 | 0 | 0 | 109.9 | A193 A196 I237 | A193-L241 VanDerWaalsContact CB-C 3.47Å; A193-L241 HydrophobicContact CB-CB 4Å; A193-L241 WeakPolarHBondContact CB-O 3.24Å; A196-L241 HydrophobicContact CB-CD1 3.18Å; A196-L241 HydrophobicContact CB-CD2 4.03Å; A196-L241 HydrophobicContact CB-CG 4.19Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CD1 3.44Å; I237-L241 WeakPolarHBondContact O-CG 3.43Å; I237-L241 PolarHBondContact O-N 3.29Å |
Retrieved 241 of 241 residues in 132.1 ms
(Link to these results)