A0A087XYF6_POEFO Loading...

AP-5 complex subunit beta-1

AlphaFold DB , UniProt , Accession A0A087XYF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 941 aa.

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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
1M34.5Very low73.4Confident235 Ų23579.5 Ų79.5100%1.15846%0.458SS*.  0131.60-70.8-176.217500106.6T3M1-T3 PolarHBondContact O-N 3.38Å
2A43.3Very low74.4Confident111 Ų11172.8 Ų72.892%0.91742%0.42SS*.  trans-65.4103.4179.800000108.4N4A2-N4 PolarHBondContact O-N 3.02Å
3T59.3Low75.1Confident66 Ų6670.5 Ų70.541%0.40541%0.41SS..  trans-62.6124.7177.738.20000108.7M1 W5M1-T3 PolarHBondContact O-N 3.38Å; T3-W5 VanDerWaalsContact C-N 3.27Å; T3-W5 PolarHBondContact O-N 2.93Å; T3-W5 PolarHBondContact OG1-NE1 2.94Å
4N81.3Confident75.8Confident77 Ų7773.6 Ų73.641%0.41244%0.436SS..  trans-75.483.6178-158.56.1000109.1A2 T6 E7 R8A2-N4 PolarHBondContact O-N 3.02Å; N4-T6 PolarHBondContact O-N 2.79Å; N4-T6 PolarHBondContact OD1-OG1 3.5Å; N4-E7 HydrophobicContact CB-CB 4.44Å; N4-E7 PolarHBondContact ND2-OE1 2.75Å; N4-E7 PolarHBondContact ND2-OE2 3.22Å; N4-E7 PolarHBondContact O-N 2.93Å; N4-E7 VanDerWaalsContact O-N 3.14Å; N4-R8 PolarHBondContact O-N 2.92Å
5W82.3Confident76.2Confident15 Ų1572.7 Ų72.76%0.05743%0.434CS..Hα-helixtrans-59.2-28.5-174.7-84.5109.6000113.4T3 R8 I9 F28 E31 L32 E35 I45 L49T3-W5 VanDerWaalsContact C-N 3.27Å; T3-W5 PolarHBondContact O-N 2.93Å; T3-W5 PolarHBondContact OG1-NE1 2.94Å; W5-R8 PolarHBondContact O-N 3.46Å; W5-I9 HydrophobicContact CE3-CG1 4.47Å; W5-I9 WeakPolarHBondContact O-CB 3.34Å; W5-I9 WeakPolarHBondContact O-CD1 3.47Å; W5-I9 WeakPolarHBondContact O-CG1 3.49Å; W5-I9 PolarHBondContact O-N 2.99Å; W5-F28 AromaticContact CZ3-CE2 3.99Å; W5-F28 HydrophobicContact CZ3-CE2 3.99Å; W5-E31 HydrophobicContact CH2-CB 4.08Å; W5-L32 HydrophobicContact CE3-CD2 4.28Å; W5-L32 HydrophobicContact CH2-CD2 4.13Å; W5-L32 HydrophobicContact CZ3-CD2 3.57Å; W5-L32 HydrophobicContact CZ3-CG 4.36Å; W5-E35 HydrophobicContact CZ2-CB 4.19Å; W5-E35 HydrophobicContact CZ2-CG 3.53Å; W5-I45 HydrophobicContact CB-CG2 4.1Å; W5-L49 HydrophobicContact CB-CD2 4.32Å; W5-L49 HydrophobicContact CD2-CD2 3.5Å; W5-L49 VanDerWaalsContact CD2-CD2 3.5Å; W5-L49 HydrophobicContact CE3-CD2 3.27Å; W5-L49 HydrophobicContact CG-CD2 3.96Å; W5-L49 HydrophobicContact CH2-CD2 4.4Å; W5-L49 HydrophobicContact CZ3-CD2 3.75Å
6T82.5Confident76.5Confident67 Ų6769.4 Ų69.441%0.41142%0.415SS..Hα-helixtrans-62.9-43.6175.949.80000112N4 S10 L48N4-T6 PolarHBondContact O-N 2.79Å; N4-T6 PolarHBondContact OD1-OG1 3.5Å; T6-S10 WeakPolarHBondContact O-CB 3.19Å; T6-S10 PolarHBondContact O-N 3.46Å; T6-S10 PolarHBondContact O-OG 3.32Å; T6-L48 HydrophobicContact CG2-CD1 3.93Å
7E84.2Confident76.5Confident125 Ų12569.8 Ų69.858%0.58442%0.422SS*.Hα-helixtrans-69.4-42.4178.7-74170.7179.600111.3N4 S10 A11N4-E7 HydrophobicContact CB-CB 4.44Å; N4-E7 PolarHBondContact ND2-OE1 2.75Å; N4-E7 PolarHBondContact ND2-OE2 3.22Å; N4-E7 PolarHBondContact O-N 2.93Å; N4-E7 VanDerWaalsContact O-N 3.14Å; E7-S10 WeakPolarHBondContact CA-OG 3.39Å; E7-S10 PolarHBondContact O-N 3.24Å; E7-S10 PolarHBondContact O-OG 2.96Å; E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 3.17Å
8R85.8Confident76.6Confident58 Ų5867.7 Ų67.722%0.21942%0.417CS..Hα-helixtrans-63.3-44.6177.7-73-174.286-171.74.2112.3N4 W5 A11 F12 F19 E31N4-R8 PolarHBondContact O-N 2.92Å; W5-R8 PolarHBondContact O-N 3.46Å; R8-A11 PolarHBondContact O-N 3.45Å; R8-F12 PolarHBondContact O-N 3.3Å; R8-F19 HydrophobicContact CB-CZ 4.49Å; R8-E31 IonicContact CZ-OE2 3.51Å; R8-E31 VanDerWaalsContact CZ-OE2 3.29Å; R8-E31 IonicContact NH1-OE2 4Å; R8-E31 PolarHBondContact NH1-OE2 2.96Å; R8-E31 IonicContact NH2-OE2 2.85Å; R8-E31 PolarHBondContact NH2-OE2 2.67Å
9I85.6Confident76.8Confident11 Ų1165.3 Ų65.36%0.05640%0.4CS..Hα-helixtrans-65.9-40.5177-64.2163.2000110.3W5 A11 F12 C13 L48 L49 P52W5-I9 HydrophobicContact CE3-CG1 4.47Å; W5-I9 WeakPolarHBondContact O-CB 3.34Å; W5-I9 WeakPolarHBondContact O-CD1 3.47Å; W5-I9 WeakPolarHBondContact O-CG1 3.49Å; W5-I9 PolarHBondContact O-N 2.99Å; I9-A11 VanDerWaalsContact C-N 3.33Å; I9-A11 PolarHBondContact O-N 3.03Å; I9-F12 PolarHBondContact O-N 2.8Å; I9-C13 PolarHBondContact O-N 3.22Å; I9-C13 PolarHBondContact O-SG 3.24Å; I9-C13 VanDerWaalsContact O-SG 3.36Å; I9-L48 HydrophobicContact CD1-CB 3.8Å; I9-L49 HydrophobicContact CD1-CD2 3.93Å; I9-L49 HydrophobicContact CD1-CG 4.42Å; I9-P52 HydrophobicContact CG2-CG 4.24Å
10S85.1Confident76.9Confident65 Ų6563.1 Ų63.146%0.45539%0.386SS..Hα-helixtrans-63.3-38.9175.961.90000112.8T6 E7 C13 C14T6-S10 WeakPolarHBondContact O-CB 3.19Å; T6-S10 PolarHBondContact O-N 3.46Å; T6-S10 PolarHBondContact O-OG 3.32Å; E7-S10 WeakPolarHBondContact CA-OG 3.39Å; E7-S10 PolarHBondContact O-N 3.24Å; E7-S10 PolarHBondContact O-OG 2.96Å; S10-C13 PolarHBondContact O-N 3.07Å; S10-C14 PolarHBondContact O-N 2.61Å; S10-C14 VanDerWaalsContact O-N 3.07Å; S10-C14 PolarHBondContact O-SG 3.23Å
11A83.9Confident76.6Confident44 Ų4460.6 Ų60.636%0.36437%0.371SS..Hα-helixtrans-64.8-42.3175.700000111.2E7 R8 I9 C14 S15 F19E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 3.17Å; R8-A11 PolarHBondContact O-N 3.45Å; I9-A11 VanDerWaalsContact C-N 3.33Å; I9-A11 PolarHBondContact O-N 3.03Å; A11-C14 PolarHBondContact O-N 3.05Å; A11-S15 PolarHBondContact O-N 3.17Å; A11-F19 HydrophobicContact CB-CD2 4.08Å; A11-F19 HydrophobicContact CB-CE2 4.33Å
12F85.6Confident78.5Confident0 Ų055.4 Ų55.40%034%0.344CS..Hα-helixtrans-60.5-49.5173.9178.7-97.2000112R8 I9 C14 S15 P16 F19 L20 F28 P52 Y56 L59 L60R8-F12 PolarHBondContact O-N 3.3Å; I9-F12 PolarHBondContact O-N 2.8Å; F12-C14 VanDerWaalsContact C-N 3.28Å; F12-C14 PolarHBondContact O-N 2.95Å; F12-S15 CarbonylContact O-C 3.58Å; F12-S15 VanDerWaalsContact O-C 3.25Å; F12-S15 PolarHBondContact O-N 2.88Å; F12-P16 HydrophobicContact CD2-CB 4.41Å; F12-P16 HydrophobicContact CE1-CB 4.42Å; F12-P16 HydrophobicContact CE2-CB 3.98Å; F12-P16 HydrophobicContact CZ-CB 3.99Å; F12-P16 VanDerWaalsContact O-CA 3.23Å; F12-P16 WeakPolarHBondContact O-CA 3.5Å; F12-P16 WeakPolarHBondContact O-CD 3.49Å; F12-P16 VanDerWaalsContact O-CG 3.24Å; F12-P16 WeakPolarHBondContact O-CG 3.45Å; F12-F19 HydrophobicContact CB-CD1 4.18Å; F12-F19 HydrophobicContact CB-CD2 4.45Å; F12-F19 HydrophobicContact CB-CG 4.13Å; F12-F19 HydrophobicContact CD2-CB 4.22Å; F12-F19 AromaticContact CD2-CD1 3.66Å; F12-F19 HydrophobicContact CD2-CD1 3.66Å; F12-F19 HydrophobicContact CD2-CE1 4.33Å; F12-F19 HydrophobicContact CD2-CG 4.13Å; F12-F19 HydrophobicContact CG-CD1 4.41Å; F12-L20 HydrophobicContact CD2-CG 4.48Å; F12-L20 HydrophobicContact CE2-CD1 4.04Å; F12-L20 HydrophobicContact CE2-CD2 4.14Å; F12-L20 HydrophobicContact CE2-CG 3.9Å; F12-F28 HydrophobicContact CD2-CD1 4.47Å; F12-F28 AromaticContact CD2-CE1 3.85Å; F12-F28 HydrophobicContact CD2-CE1 3.85Å; F12-F28 HydrophobicContact CD2-CZ 4.45Å; F12-F28 HydrophobicContact CE2-CD1 4.46Å; F12-F28 HydrophobicContact CE2-CE1 4.08Å; F12-F28 HydrophobicContact CG-CE1 4.13Å; F12-F28 HydrophobicContact CG-CZ 4.43Å; F12-P52 HydrophobicContact CD1-CB 4.01Å; F12-P52 HydrophobicContact CD1-CG 4.09Å; F12-P52 HydrophobicContact CE1-CB 3.66Å; F12-P52 HydrophobicContact CE1-CG 4.25Å; F12-P52 HydrophobicContact CZ-CB 4.41Å; F12-Y56 AromaticContact CE1-CD2 3.67Å; F12-Y56 HydrophobicContact CE1-CD2 3.67Å; F12-Y56 HydrophobicContact CE1-CE2 4.42Å; F12-Y56 HydrophobicContact CE1-CG 4.23Å; F12-Y56 HydrophobicContact CZ-CD2 4.26Å; F12-Y56 HydrophobicContact CZ-CG 4.38Å; F12-L59 HydrophobicContact CE2-CD2 4.39Å; F12-L59 HydrophobicContact CZ-CD2 4.3Å; F12-L60 HydrophobicContact CE2-CD2 4.27Å; F12-L60 HydrophobicContact CZ-CD2 4.13Å; F12-L60 HydrophobicContact CZ-CG 4.38Å
13C83.2Confident79.9Confident43 Ų4351.8 Ų51.829%0.29131%0.31SS..Hα-helixtrans-64.4-28.7179.9-67.50000113.4I9 S10I9-C13 PolarHBondContact O-N 3.22Å; I9-C13 PolarHBondContact O-SG 3.24Å; I9-C13 VanDerWaalsContact O-SG 3.36Å; S10-C13 PolarHBondContact O-N 3.07Å
14C84.5Confident80.8Confident114 Ų11451.1 Ų51.177%0.7731%0.308SS*.Hα-helixtrans-73.1-37176.2-74.20000113S10 A11 F12S10-C14 PolarHBondContact O-N 2.61Å; S10-C14 VanDerWaalsContact O-N 3.07Å; S10-C14 PolarHBondContact O-SG 3.23Å; A11-C14 PolarHBondContact O-N 3.05Å; F12-C14 VanDerWaalsContact C-N 3.28Å; F12-C14 PolarHBondContact O-N 2.95Å
15S82.1Confident80.7Confident60 Ų6049.2 Ų49.242%0.4230%0.3SS..  trans-152.483.3178.857.40000111.2A11 F12 S17 G18 F19A11-S15 PolarHBondContact O-N 3.17Å; F12-S15 CarbonylContact O-C 3.58Å; F12-S15 VanDerWaalsContact O-C 3.25Å; F12-S15 PolarHBondContact O-N 2.88Å; S15-S17 PolarHBondContact O-N 2.95Å; S15-G18 PolarHBondContact O-N 3.09Å; S15-F19 WeakPolarHBondContact O-CB 2.99Å; S15-F19 PolarHBondContact O-N 2.98Å
16P80.3Confident80.6Confident19 Ų1953 Ų5312%0.12332%0.322CS..Hα-helixtrans-61.2-43.2-174.1-24.631.9000113.5F12 L20 Y56 L59F12-P16 HydrophobicContact CD2-CB 4.41Å; F12-P16 HydrophobicContact CE1-CB 4.42Å; F12-P16 HydrophobicContact CE2-CB 3.98Å; F12-P16 HydrophobicContact CZ-CB 3.99Å; F12-P16 VanDerWaalsContact O-CA 3.23Å; F12-P16 WeakPolarHBondContact O-CA 3.5Å; F12-P16 WeakPolarHBondContact O-CD 3.49Å; F12-P16 VanDerWaalsContact O-CG 3.24Å; F12-P16 WeakPolarHBondContact O-CG 3.45Å; P16-L20 WeakPolarHBondContact O-CB 3.41Å; P16-L20 VanDerWaalsContact O-CG 3.3Å; P16-L20 WeakPolarHBondContact O-CG 3.28Å; P16-L20 PolarHBondContact O-N 3.37Å; P16-L20 VanDerWaalsContact O-N 3.08Å; P16-Y56 HydrophobicContact CB-CD1 4.41Å; P16-Y56 HydrophobicContact CB-CE1 4.46Å; P16-Y56 HydrophobicContact CG-CD1 4.14Å; P16-Y56 HydrophobicContact CG-CD2 4.25Å; P16-Y56 HydrophobicContact CG-CE1 3.74Å; P16-Y56 HydrophobicContact CG-CE2 3.86Å; P16-Y56 HydrophobicContact CG-CG 4.37Å; P16-L59 HydrophobicContact CB-CD2 3.5Å
17S77Confident80.7Confident76 Ų7652.9 Ų52.953%0.53132%0.321SS..Hα-helixtrans-66.4-44.5177.448.60000112.2S15 F19 L20 S21S15-S17 PolarHBondContact O-N 2.95Å; S17-F19 PolarHBondContact O-N 3.03Å; S17-L20 PolarHBondContact O-N 3.18Å; S17-S21 PolarHBondContact O-N 2.63Å; S17-S21 VanDerWaalsContact O-N 3.08Å
18G77.8Confident80.7Confident32 Ų3246.9 Ų46.933%0.3329%0.293SS..Hα-helixtrans-62.3-42.5176.600000112.7S15 S21S15-G18 PolarHBondContact O-N 3.09Å; G18-S21 WeakPolarHBondContact O-CB 3.45Å; G18-S21 PolarHBondContact O-N 3.18Å; G18-S21 PolarHBondContact O-OG 3.42Å
19F81.1Confident80.7Confident22 Ų2244.6 Ų44.610%0.09629%0.285CS..Hα-helixtrans-65.4-42177-176.9-86.2000112.3R8 A11 F12 S15 S17 S21 E22 T23 F28R8-F19 HydrophobicContact CB-CZ 4.49Å; A11-F19 HydrophobicContact CB-CD2 4.08Å; A11-F19 HydrophobicContact CB-CE2 4.33Å; F12-F19 HydrophobicContact CB-CD1 4.18Å; F12-F19 HydrophobicContact CB-CD2 4.45Å; F12-F19 HydrophobicContact CB-CG 4.13Å; F12-F19 HydrophobicContact CD2-CB 4.22Å; F12-F19 AromaticContact CD2-CD1 3.66Å; F12-F19 HydrophobicContact CD2-CD1 3.66Å; F12-F19 HydrophobicContact CD2-CE1 4.33Å; F12-F19 HydrophobicContact CD2-CG 4.13Å; F12-F19 HydrophobicContact CG-CD1 4.41Å; S15-F19 WeakPolarHBondContact O-CB 2.99Å; S15-F19 PolarHBondContact O-N 2.98Å; S17-F19 PolarHBondContact O-N 3.03Å; F19-S21 PolarHBondContact O-N 2.86Å; F19-E22 PolarHBondContact O-N 3.02Å; F19-T23 PolarHBondContact O-N 2.71Å; F19-T23 PolarHBondContact O-OG1 3.48Å; F19-F28 HydrophobicContact CE1-CD1 4.22Å; F19-F28 AromaticContact CE1-CD2 3.65Å; F19-F28 HydrophobicContact CE1-CD2 3.65Å; F19-F28 HydrophobicContact CE1-CE1 4.15Å; F19-F28 AromaticContact CE1-CE2 3.57Å; F19-F28 HydrophobicContact CE1-CE2 3.57Å; F19-F28 AromaticContact CE1-CG 3.98Å; F19-F28 HydrophobicContact CE1-CG 3.98Å; F19-F28 AromaticContact CE1-CZ 3.83Å; F19-F28 HydrophobicContact CE1-CZ 3.83Å; F19-F28 HydrophobicContact CZ-CD2 4.15Å; F19-F28 AromaticContact CZ-CE2 3.82Å; F19-F28 HydrophobicContact CZ-CE2 3.82Å; F19-F28 HydrophobicContact CZ-CZ 4.28Å
20L77.9Confident80.7Confident22 Ų2247.3 Ų47.312%0.11531%0.305CS..Hα-helixtrans-72.5-12.3178.3-68.6179.6000114F12 P16 S17 E22 T23 P25 F28 L59 L60F12-L20 HydrophobicContact CD2-CG 4.48Å; F12-L20 HydrophobicContact CE2-CD1 4.04Å; F12-L20 HydrophobicContact CE2-CD2 4.14Å; F12-L20 HydrophobicContact CE2-CG 3.9Å; P16-L20 WeakPolarHBondContact O-CB 3.41Å; P16-L20 VanDerWaalsContact O-CG 3.3Å; P16-L20 WeakPolarHBondContact O-CG 3.28Å; P16-L20 PolarHBondContact O-N 3.37Å; P16-L20 VanDerWaalsContact O-N 3.08Å; S17-L20 PolarHBondContact O-N 3.18Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-T23 CarbonylContact C-O 3.52Å; L20-T23 VanDerWaalsContact C-O 3.25Å; L20-T23 WeakPolarHBondContact CA-O 3.24Å; L20-T23 CarbonylContact O-C 3.42Å; L20-P25 HydrophobicContact CD1-CB 4.43Å; L20-P25 HydrophobicContact CD2-CB 4.43Å; L20-F28 HydrophobicContact CD2-CB 4.19Å; L20-F28 HydrophobicContact CD2-CD1 4.08Å; L20-F28 HydrophobicContact CD2-CG 4.44Å; L20-L59 HydrophobicContact CD1-CD1 4.29Å; L20-L59 HydrophobicContact CD1-CD2 3.4Å; L20-L59 HydrophobicContact CD1-CG 3.46Å; L20-L59 VanDerWaalsContact CD1-CG 3.46Å; L20-L60 HydrophobicContact CD2-CD2 4.42Å
21S71.8Confident80.8Confident11 Ų1146.9 Ų46.98%0.07730%0.295CS..Hα-helixtrans-73.3-29.9170.583.20000112.4S17 G18 F19 D753S17-S21 PolarHBondContact O-N 2.63Å; S17-S21 VanDerWaalsContact O-N 3.08Å; G18-S21 WeakPolarHBondContact O-CB 3.45Å; G18-S21 PolarHBondContact O-N 3.18Å; G18-S21 PolarHBondContact O-OG 3.42Å; F19-S21 PolarHBondContact O-N 2.86Å; S21-D753 WeakPolarHBondContact OG-CB 3.44Å
22E73.3Confident81Confident126 Ų12644.8 Ų44.859%0.58928%0.278SS*.Hα-helixtrans-79.5-38.3175.7-62.8-172.5168.200111.6F19 L20F19-E22 PolarHBondContact O-N 3.02Å; L20-E22 VanDerWaalsContact C-N 3.34Å
23T72.6Confident81Confident34 Ų3445.3 Ų45.321%0.20928%0.281CS..SBendtrans-127.6127.9179.955.80000112F19 L20F19-T23 PolarHBondContact O-N 2.71Å; F19-T23 PolarHBondContact O-OG1 3.48Å; L20-T23 CarbonylContact C-O 3.52Å; L20-T23 VanDerWaalsContact C-O 3.25Å; L20-T23 WeakPolarHBondContact CA-O 3.24Å; L20-T23 CarbonylContact O-C 3.42Å
24S79Confident81.2Confident52 Ų5250.7 Ų50.736%0.36430%0.295SS..  trans-61.3147.8-179.270.10000112.3D26 T27 F28S24-D26 VanDerWaalsContact C-N 3.26Å; S24-D26 PolarHBondContact O-N 3.4Å; S24-T27 PolarHBondContact N-OG1 3.07Å; S24-T27 PolarHBondContact O-N 3.43Å; S24-T27 PolarHBondContact O-OG1 3.21Å; S24-T27 WeakPolarHBondContact OG-CB 3.42Å; S24-T27 WeakPolarHBondContact OG-CG2 3.31Å; S24-T27 PolarHBondContact OG-N 2.98Å; S24-T27 PolarHBondContact OG-OG1 3.08Å; S24-F28 PolarHBondContact O-N 2.98Å
25P78.8Confident81.2Confident38 Ų3847.1 Ų47.125%0.24727%0.267CS..Hα-helixtrans-54.6-41.7-179.521-32.8000112.3L20 T27 F28 L29L20-P25 HydrophobicContact CD1-CB 4.43Å; L20-P25 HydrophobicContact CD2-CB 4.43Å; P25-T27 PolarHBondContact O-N 3.2Å; P25-F28 PolarHBondContact O-N 3.41Å; P25-L29 WeakPolarHBondContact O-CB 3.27Å; P25-L29 PolarHBondContact O-N 3.46Å
26D80.9Confident81.4Confident94 Ų9444.2 Ų44.250%0.50325%0.247SC..Hα-helixtrans-66.1-37.3179.4-54.1-30.8000112.5S24 S30S24-D26 VanDerWaalsContact C-N 3.26Å; S24-D26 PolarHBondContact O-N 3.4Å; D26-S30 VanDerWaalsContact O-CB 3.31Å; D26-S30 WeakPolarHBondContact O-CB 3.45Å; D26-S30 PolarHBondContact O-N 2.95Å; D26-S30 PolarHBondContact O-OG 3.41Å
27T83.8Confident81.6Confident64 Ų6448.1 Ų48.139%0.39326%0.259SS..Hα-helixtrans-70.8-41.8177.258.60000111.2S24 P25 S30 E31S24-T27 PolarHBondContact N-OG1 3.07Å; S24-T27 PolarHBondContact O-N 3.43Å; S24-T27 PolarHBondContact O-OG1 3.21Å; S24-T27 WeakPolarHBondContact OG-CB 3.42Å; S24-T27 WeakPolarHBondContact OG-CG2 3.31Å; S24-T27 PolarHBondContact OG-N 2.98Å; S24-T27 PolarHBondContact OG-OG1 3.08Å; P25-T27 PolarHBondContact O-N 3.2Å; T27-S30 WeakPolarHBondContact CA-OG 3.48Å; T27-S30 PolarHBondContact O-OG 3.36Å; T27-E31 WeakPolarHBondContact O-CB 3.34Å; T27-E31 VanDerWaalsContact O-CG 3.32Å; T27-E31 WeakPolarHBondContact O-CG 3.22Å; T27-E31 PolarHBondContact O-N 2.97Å
28F85.5Confident81.9Confident0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-67.8-41.9177-176.4-121.9000111.9W5 F12 F19 L20 S24 P25 E31 L32 L60W5-F28 AromaticContact CZ3-CE2 3.99Å; W5-F28 HydrophobicContact CZ3-CE2 3.99Å; F12-F28 HydrophobicContact CD2-CD1 4.47Å; F12-F28 AromaticContact CD2-CE1 3.85Å; F12-F28 HydrophobicContact CD2-CE1 3.85Å; F12-F28 HydrophobicContact CD2-CZ 4.45Å; F12-F28 HydrophobicContact CE2-CD1 4.46Å; F12-F28 HydrophobicContact CE2-CE1 4.08Å; F12-F28 HydrophobicContact CG-CE1 4.13Å; F12-F28 HydrophobicContact CG-CZ 4.43Å; F19-F28 HydrophobicContact CE1-CD1 4.22Å; F19-F28 AromaticContact CE1-CD2 3.65Å; F19-F28 HydrophobicContact CE1-CD2 3.65Å; F19-F28 HydrophobicContact CE1-CE1 4.15Å; F19-F28 AromaticContact CE1-CE2 3.57Å; F19-F28 HydrophobicContact CE1-CE2 3.57Å; F19-F28 AromaticContact CE1-CG 3.98Å; F19-F28 HydrophobicContact CE1-CG 3.98Å; F19-F28 AromaticContact CE1-CZ 3.83Å; F19-F28 HydrophobicContact CE1-CZ 3.83Å; F19-F28 HydrophobicContact CZ-CD2 4.15Å; F19-F28 AromaticContact CZ-CE2 3.82Å; F19-F28 HydrophobicContact CZ-CE2 3.82Å; F19-F28 HydrophobicContact CZ-CZ 4.28Å; L20-F28 HydrophobicContact CD2-CB 4.19Å; L20-F28 HydrophobicContact CD2-CD1 4.08Å; L20-F28 HydrophobicContact CD2-CG 4.44Å; S24-F28 PolarHBondContact O-N 2.98Å; P25-F28 PolarHBondContact O-N 3.41Å; F28-E31 PolarHBondContact O-N 3.29Å; F28-L32 HydrophobicContact CD1-CD1 3.9Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.6Å; F28-L32 HydrophobicContact CE1-CG 4.24Å; F28-L32 HydrophobicContact CE2-CD1 4.5Å; F28-L32 HydrophobicContact CE2-CD2 4.37Å; F28-L32 HydrophobicContact CE2-CG 4.26Å; F28-L32 HydrophobicContact CG-CD1 4.49Å; F28-L32 HydrophobicContact CZ-CD1 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.13Å; F28-L32 HydrophobicContact CZ-CG 4.11Å; F28-L32 WeakPolarHBondContact O-CG 3.17Å; F28-L32 PolarHBondContact O-N 3.24Å; F28-L60 HydrophobicContact CD1-CD2 3.81Å; F28-L60 HydrophobicContact CE1-CD2 4.29Å
29L85.9Confident81.7Confident10 Ų1052.4 Ų52.45%0.05227%0.269CS..Hα-helixtrans-61.9-45.7176.1-179.460.2000111.9P25 E31 L32 L33 L53 T70P25-L29 WeakPolarHBondContact O-CB 3.27Å; P25-L29 PolarHBondContact O-N 3.46Å; L29-E31 PolarHBondContact O-N 3.49Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3Å; L29-L33 HydrophobicContact CD1-CD1 4.28Å; L29-L33 HydrophobicContact CD1-CG 4.35Å; L29-L33 HydrophobicContact CG-CD1 4.19Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-L53 HydrophobicContact CD1-CD2 3.75Å; L29-T70 HydrophobicContact CD1-CG2 4.09Å
30S85.3Confident81.5Confident68 Ų6862.4 Ų62.448%0.47631%0.306SS..Hα-helixtrans-65.8-35.9176.256.50000112.7D26 T27 R34D26-S30 VanDerWaalsContact O-CB 3.31Å; D26-S30 WeakPolarHBondContact O-CB 3.45Å; D26-S30 PolarHBondContact O-N 2.95Å; D26-S30 PolarHBondContact O-OG 3.41Å; T27-S30 WeakPolarHBondContact CA-OG 3.48Å; T27-S30 PolarHBondContact O-OG 3.36Å; S30-R34 VanDerWaalsContact O-CB 3.25Å; S30-R34 WeakPolarHBondContact O-CB 3.32Å; S30-R34 PolarHBondContact O-N 3.49Å
31E86.8Confident81.5Confident55 Ų5562 Ų6226%0.25731%0.306SS..Hα-helixtrans-63.1-45171.3-76.6-177177.400112.3W5 R8 T27 F28 L29 R34 E35W5-E31 HydrophobicContact CH2-CB 4.08Å; R8-E31 IonicContact CZ-OE2 3.51Å; R8-E31 VanDerWaalsContact CZ-OE2 3.29Å; R8-E31 IonicContact NH1-OE2 4Å; R8-E31 PolarHBondContact NH1-OE2 2.96Å; R8-E31 IonicContact NH2-OE2 2.85Å; R8-E31 PolarHBondContact NH2-OE2 2.67Å; T27-E31 WeakPolarHBondContact O-CB 3.34Å; T27-E31 VanDerWaalsContact O-CG 3.32Å; T27-E31 WeakPolarHBondContact O-CG 3.22Å; T27-E31 PolarHBondContact O-N 2.97Å; F28-E31 PolarHBondContact O-N 3.29Å; L29-E31 PolarHBondContact O-N 3.49Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-E35 WeakPolarHBondContact O-CG 3.31Å; E31-E35 PolarHBondContact O-N 3.47Å; E31-E35 VanDerWaalsContact O-N 3.09Å
32L87.3Confident82Confident0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-59.7-49.8175.8-75.1173.2000111.2W5 F28 L29 R34 E35 L36 L49 P52W5-L32 HydrophobicContact CE3-CD2 4.28Å; W5-L32 HydrophobicContact CH2-CD2 4.13Å; W5-L32 HydrophobicContact CZ3-CD2 3.57Å; W5-L32 HydrophobicContact CZ3-CG 4.36Å; F28-L32 HydrophobicContact CD1-CD1 3.9Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.6Å; F28-L32 HydrophobicContact CE1-CG 4.24Å; F28-L32 HydrophobicContact CE2-CD1 4.5Å; F28-L32 HydrophobicContact CE2-CD2 4.37Å; F28-L32 HydrophobicContact CE2-CG 4.26Å; F28-L32 HydrophobicContact CG-CD1 4.49Å; F28-L32 HydrophobicContact CZ-CD1 3.93Å; F28-L32 HydrophobicContact CZ-CD2 4.13Å; F28-L32 HydrophobicContact CZ-CG 4.11Å; F28-L32 WeakPolarHBondContact O-CG 3.17Å; F28-L32 PolarHBondContact O-N 3.24Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 3Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 3.25Å; L32-E35 PolarHBondContact O-N 2.84Å; L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 2.84Å; L32-L49 HydrophobicContact CD2-CB 4.34Å; L32-L49 HydrophobicContact CD2-CD2 3.53Å; L32-P52 HydrophobicContact CD1-CB 4.38Å
33L86.4Confident82.4Confident12 Ų1261 Ų616%0.06331%0.305CS..Hα-helixtrans-64.3-37.7179.9-69.5174.2000112L29 L36 R37 T70 D73 L74L29-L33 HydrophobicContact CD1-CD1 4.28Å; L29-L33 HydrophobicContact CD1-CG 4.35Å; L29-L33 HydrophobicContact CG-CD1 4.19Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.02Å; L33-L36 HydrophobicContact CD2-CD1 4.39Å; L33-L36 PolarHBondContact O-N 3.19Å; L33-R37 WeakPolarHBondContact O-CG 3.43Å; L33-R37 PolarHBondContact O-N 2.89Å; L33-R37 VanDerWaalsContact O-N 3.13Å; L33-T70 HydrophobicContact CD1-CG2 4.33Å; L33-T70 HydrophobicContact CD2-CG2 4.28Å; L33-D73 HydrophobicContact CD1-CB 4.22Å; L33-D73 HydrophobicContact CD2-CB 4.25Å; L33-L74 HydrophobicContact CD2-CD2 3.96Å; L33-L74 HydrophobicContact CD2-CG 4.16Å
34R87.3Confident82.8Confident156 Ų15661.7 Ų61.759%0.58932%0.319SS*.Hα-helixtrans-62.8-43.7175.5-174.7-179.966.9180-5.1112S30 E31 L32 R37 D38S30-R34 VanDerWaalsContact O-CB 3.25Å; S30-R34 WeakPolarHBondContact O-CB 3.32Å; S30-R34 PolarHBondContact O-N 3.49Å; E31-R34 PolarHBondContact O-N 2.9Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 3.25Å; R34-R37 WeakPolarHBondContact O-CB 3.41Å; R34-R37 PolarHBondContact O-N 3.27Å; R34-D38 PolarHBondContact O-N 3.49Å
35E85.3Confident83Confident38 Ų3862 Ų6218%0.17832%0.316CS..Hα-helixtrans-75.4-29.7179.7-72.5-78.6162.500112.9W5 E31 L32 R37 D38 L49W5-E35 HydrophobicContact CZ2-CB 4.19Å; W5-E35 HydrophobicContact CZ2-CG 3.53Å; E31-E35 WeakPolarHBondContact O-CG 3.31Å; E31-E35 PolarHBondContact O-N 3.47Å; E31-E35 VanDerWaalsContact O-N 3.09Å; L32-E35 PolarHBondContact O-N 2.84Å; E35-R37 PolarHBondContact O-N 3.31Å; E35-D38 PolarHBondContact O-N 2.97Å; E35-L49 HydrophobicContact CB-CD1 3.88Å
36L84.9Confident83.4Confident0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-61.8-34.6169.1-76.4168.7000111.8L32 L33 K46 L49 L50 L53 L74 F88L32-L36 WeakPolarHBondContact O-CB 3.48Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.33Å; L32-L36 PolarHBondContact O-N 2.84Å; L33-L36 HydrophobicContact CD2-CD1 4.39Å; L33-L36 PolarHBondContact O-N 3.19Å; L36-K46 HydrophobicContact CD2-CB 4.06Å; L36-K46 WeakPolarHBondContact CD2-O 3.43Å; L36-K46 WeakPolarHBondContact O-CE 3.26Å; L36-K46 PolarHBondContact O-NZ 2.81Å; L36-L49 HydrophobicContact CD2-CB 3.78Å; L36-L49 HydrophobicContact CD2-CD1 4.25Å; L36-L49 HydrophobicContact CG-CB 4.07Å; L36-L49 HydrophobicContact CG-CD1 4.29Å; L36-L50 HydrophobicContact CD1-CD2 3.91Å; L36-L50 HydrophobicContact CD2-CD2 4.09Å; L36-L50 HydrophobicContact CD2-CG 4.16Å; L36-L53 HydrophobicContact CD1-CD1 4.48Å; L36-L74 HydrophobicContact CD1-CD2 4Å; L36-F88 HydrophobicContact CD2-CE2 4.22Å; L36-F88 HydrophobicContact CD2-CZ 4.26Å
37R84.3Confident83.6Confident101 Ų10157.1 Ų57.138%0.38129%0.288SS..Hα-helixtrans-76.3-21.3175.1-73.2172.7168.8164-4.6114.2L33 R34 E35 D39 D73 V77L33-R37 WeakPolarHBondContact O-CG 3.43Å; L33-R37 PolarHBondContact O-N 2.89Å; L33-R37 VanDerWaalsContact O-N 3.13Å; R34-R37 WeakPolarHBondContact O-CB 3.41Å; R34-R37 PolarHBondContact O-N 3.27Å; E35-R37 PolarHBondContact O-N 3.31Å; R37-D39 PolarHBondContact O-N 2.82Å; R37-D73 IonicContact CZ-OD1 2.73Å; R37-D73 IonicContact CZ-OD2 3.84Å; R37-D73 IonicContact NH1-OD1 3.85Å; R37-D73 IonicContact NH1-OD2 3.36Å; R37-D73 PolarHBondContact NH1-OD2 2.99Å; R37-D73 IonicContact NH2-OD1 3.45Å; R37-D73 PolarHBondContact NH2-OD1 3.27Å; R37-D73 IonicContact NH2-OD2 2.75Å; R37-D73 PolarHBondContact NH2-OD2 3.24Å; R37-D73 VanDerWaalsContact NH2-OD2 3.08Å; R37-V77 HydrophobicContact CG-CG2 3.79Å
38D83.4Confident83.7Confident59 Ų5957.6 Ų57.632%0.31629%0.288SS..  trans-69.7119.7-178.6-169.3-7.8000111.2R34 E35 R40 A41 K46R34-D38 PolarHBondContact O-N 3.49Å; E35-D38 PolarHBondContact O-N 2.97Å; D38-R40 PolarHBondContact O-N 2.92Å; D38-R40 WeakPolarHBondContact OD1-CB 3.37Å; D38-R40 WeakPolarHBondContact OD1-CG 3.37Å; D38-R40 PolarHBondContact OD1-N 2.91Å; D38-A41 PolarHBondContact O-N 3.38Å; D38-K46 WeakPolarHBondContact O-CE 3.29Å; D38-K46 PolarHBondContact O-NZ 2.87Å
39D74.7Confident83.8Confident139 Ų13957.6 Ų57.674%0.74329%0.288SS*.THydrogen-bonded Turntrans-66.4-18.5176.5-75.2-31.6000113.4R37R37-D39 PolarHBondContact O-N 2.82Å
40R75.6Confident83.9Confident231 Ų23157.2 Ų57.287%0.87229%0.286SS*.THydrogen-bonded Turntrans-78.7-20.9179.7-60.4178.9179.1-168.21.4112.8D38D38-R40 PolarHBondContact O-N 2.92Å; D38-R40 WeakPolarHBondContact OD1-CB 3.37Å; D38-R40 WeakPolarHBondContact OD1-CG 3.37Å; D38-R40 PolarHBondContact OD1-N 2.91Å
41A77.8Confident84Confident14 Ų1455.3 Ų55.312%0.11627%0.272CS..SBendtrans-73.7133.8179.800000111.3D38 K46D38-A41 PolarHBondContact O-N 3.38Å; A41-K46 HydrophobicContact CB-CG 4.21Å; A41-K46 WeakPolarHBondContact O-CE 3.44Å
42S82.9Confident84.1Confident64 Ų6452.7 Ų52.745%0.44826%0.26SS..  trans-66.2144.6176.476.40000111G44 I45 K46S42-G44 PolarHBondContact O-N 2.95Å; S42-G44 VanDerWaalsContact O-N 3.14Å; S42-I45 PolarHBondContact O-N 3.41Å; S42-I45 WeakPolarHBondContact OG-CG1 3.31Å; S42-I45 PolarHBondContact OG-N 3.32Å; S42-K46 PolarHBondContact O-N 3.42Å
43Y81.1Confident84.1Confident52 Ų5252.7 Ų52.720%0.20426%0.26CS..Hα-helixtrans-61.3-24.5179.7-72.9-90.6000113.3K46 V47 P82 F85 F88Y43-K46 HydrophobicContact CD1-CD 4.47Å; Y43-K46 PolarHBondContact O-N 3.18Å; Y43-V47 WeakPolarHBondContact O-CB 3.46Å; Y43-V47 VanDerWaalsContact O-CG2 3.24Å; Y43-V47 WeakPolarHBondContact O-CG2 3.47Å; Y43-V47 PolarHBondContact O-N 2.86Å; Y43-P82 VanDerWaalsContact OH-CD 3.27Å; Y43-P82 WeakPolarHBondContact OH-CD 3.32Å; Y43-F85 HydrophobicContact CD1-CB 3.94Å; Y43-F85 HydrophobicContact CD1-CD1 4.35Å; Y43-F85 AromaticContact CD1-CD2 3.83Å; Y43-F85 HydrophobicContact CD1-CD2 3.83Å; Y43-F85 HydrophobicContact CD1-CE2 4.42Å; Y43-F85 AromaticContact CD1-CG 3.8Å; Y43-F85 HydrophobicContact CD1-CG 3.8Å; Y43-F85 AromaticContact CD2-CD1 4Å; Y43-F85 HydrophobicContact CD2-CD1 4Å; Y43-F85 AromaticContact CD2-CD2 3.7Å; Y43-F85 HydrophobicContact CD2-CD2 3.7Å; Y43-F85 AromaticContact CD2-CE1 3.76Å; Y43-F85 HydrophobicContact CD2-CE1 3.76Å; Y43-F85 AromaticContact CD2-CE2 3.44Å; Y43-F85 HydrophobicContact CD2-CE2 3.44Å; Y43-F85 VanDerWaalsContact CD2-CE2 3.44Å; Y43-F85 AromaticContact CD2-CG 3.98Å; Y43-F85 HydrophobicContact CD2-CG 3.98Å; Y43-F85 AromaticContact CD2-CZ 3.49Å; Y43-F85 HydrophobicContact CD2-CZ 3.49Å; Y43-F85 VanDerWaalsContact CD2-CZ 3.49Å; Y43-F85 HydrophobicContact CE1-CB 4.07Å; Y43-F85 AromaticContact CE1-CD2 3.45Å; Y43-F85 HydrophobicContact CE1-CD2 3.45Å; Y43-F85 VanDerWaalsContact CE1-CD2 3.45Å; Y43-F85 HydrophobicContact CE1-CE2 4.04Å; Y43-F85 AromaticContact CE1-CG 3.88Å; Y43-F85 HydrophobicContact CE1-CG 3.88Å; Y43-F85 HydrophobicContact CE2-CD1 4.48Å; Y43-F85 AromaticContact CE2-CD2 3.36Å; Y43-F85 HydrophobicContact CE2-CD2 3.36Å; Y43-F85 HydrophobicContact CE2-CE1 4.22Å; Y43-F85 AromaticContact CE2-CE2 3Å; Y43-F85 HydrophobicContact CE2-CE2 3Å; Y43-F85 HydrophobicContact CE2-CG 4.11Å; Y43-F85 AromaticContact CE2-CZ 3.51Å; Y43-F85 HydrophobicContact CE2-CZ 3.51Å; Y43-F85 HydrophobicContact CG-CB 4.38Å; Y43-F85 AromaticContact CG-CD1 3.95Å; Y43-F85 HydrophobicContact CG-CD1 3.95Å; Y43-F85 AromaticContact CG-CD2 3.93Å; Y43-F85 HydrophobicContact CG-CD2 3.93Å; Y43-F85 HydrophobicContact CG-CE1 4.16Å; Y43-F85 HydrophobicContact CG-CE2 4.15Å; Y43-F85 AromaticContact CG-CG 3.84Å; Y43-F85 HydrophobicContact CG-CG 3.84Å; Y43-F85 HydrophobicContact CG-CZ 4.27Å; Y43-F85 AromaticContact CZ-CD2 3.2Å; Y43-F85 AromaticContact CZ-CE2 3.33Å; Y43-F88 HydrophobicContact CD1-CB 4.09Å; Y43-F88 AromaticContact CD1-CD1 3.79Å; Y43-F88 HydrophobicContact CD1-CD1 3.79Å; Y43-F88 HydrophobicContact CD1-CE1 4.42Å; Y43-F88 AromaticContact CD1-CG 3.96Å; Y43-F88 HydrophobicContact CD1-CG 3.96Å; Y43-F88 AromaticContact CE1-CD1 3.98Å; Y43-F88 HydrophobicContact CE1-CD1 3.98Å; Y43-F88 HydrophobicContact CE1-CE1 4.4Å
44G81.1Confident84.1Confident48 Ų4854.1 Ų54.150%0.49527%0.271SS..Hα-helixtrans-65.2-40.9171.500000112.7S42 V47 L48S42-G44 PolarHBondContact O-N 2.95Å; S42-G44 VanDerWaalsContact O-N 3.14Å; G44-V47 PolarHBondContact O-N 3.37Å; G44-L48 PolarHBondContact O-N 3.1Å
45I83.8Confident84.2Confident59 Ų5951.8 Ų51.830%0.30327%0.267SS..Hα-helixtrans-68.9-44173.9-64.1168.2000109.9W5 S42 V47 L48 L49W5-I45 HydrophobicContact CB-CG2 4.1Å; S42-I45 PolarHBondContact O-N 3.41Å; S42-I45 WeakPolarHBondContact OG-CG1 3.31Å; S42-I45 PolarHBondContact OG-N 3.32Å; I45-V47 PolarHBondContact O-N 3.26Å; I45-L48 WeakPolarHBondContact O-CA 3.42Å; I45-L48 WeakPolarHBondContact O-CB 3.5Å; I45-L48 PolarHBondContact O-N 2.95Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 HydrophobicContact CG2-CG 4.28Å; I45-L49 WeakPolarHBondContact O-CG 3.29Å; I45-L49 PolarHBondContact O-N 3.5Å
46K86.4Confident84.2Confident9 Ų953.7 Ų53.74%0.03927%0.273CS..Hα-helixtrans-58.3-36.8176.6-61.8-167.4178.2-158.90112.9L36 D38 A41 S42 Y43 L49 L50 F88L36-K46 HydrophobicContact CD2-CB 4.06Å; L36-K46 WeakPolarHBondContact CD2-O 3.43Å; L36-K46 WeakPolarHBondContact O-CE 3.26Å; L36-K46 PolarHBondContact O-NZ 2.81Å; D38-K46 WeakPolarHBondContact O-CE 3.29Å; D38-K46 PolarHBondContact O-NZ 2.87Å; A41-K46 HydrophobicContact CB-CG 4.21Å; A41-K46 WeakPolarHBondContact O-CE 3.44Å; S42-K46 PolarHBondContact O-N 3.42Å; Y43-K46 HydrophobicContact CD1-CD 4.47Å; Y43-K46 PolarHBondContact O-N 3.18Å; K46-L49 PolarHBondContact O-N 3.02Å; K46-L50 PolarHBondContact O-N 3.4Å; K46-F88 HydrophobicContact CB-CD2 3.94Å; K46-F88 HydrophobicContact CB-CE2 3.42Å; K46-F88 VanDerWaalsContact CB-CE2 3.42Å; K46-F88 HydrophobicContact CB-CZ 3.87Å; K46-F88 HydrophobicContact CD-CE1 4.5Å; K46-F88 HydrophobicContact CD-CZ 4.14Å
47V85.6Confident84.2Confident21 Ų2154 Ų5413%0.12728%0.275CS..Hα-helixtrans-64.1-38.8173.7160.60000112.3Y43 G44 I45 L50 F88 R91Y43-V47 WeakPolarHBondContact O-CB 3.46Å; Y43-V47 VanDerWaalsContact O-CG2 3.24Å; Y43-V47 WeakPolarHBondContact O-CG2 3.47Å; Y43-V47 PolarHBondContact O-N 2.86Å; G44-V47 PolarHBondContact O-N 3.37Å; I45-V47 PolarHBondContact O-N 3.26Å; V47-L50 PolarHBondContact O-N 3.26Å; V47-F88 HydrophobicContact CG2-CB 4.03Å; V47-F88 HydrophobicContact CG2-CD2 3.77Å; V47-F88 HydrophobicContact CG2-CG 4.39Å; V47-R91 VanDerWaalsContact CG1-CD 3.47Å
48L85.8Confident84.2Confident74 Ų7453.6 Ų53.639%0.38728%0.283SS..Hα-helixtrans-67.9-40.8174.9-67.9169.8000111.2T6 I9 G44 I45 L50 S51 P52T6-L48 HydrophobicContact CG2-CD1 3.93Å; I9-L48 HydrophobicContact CD1-CB 3.8Å; G44-L48 PolarHBondContact O-N 3.1Å; I45-L48 WeakPolarHBondContact O-CA 3.42Å; I45-L48 WeakPolarHBondContact O-CB 3.5Å; I45-L48 PolarHBondContact O-N 2.95Å; L48-L50 PolarHBondContact O-N 3.05Å; L48-L50 VanDerWaalsContact O-N 3.13Å; L48-S51 WeakPolarHBondContact O-CB 3.48Å; L48-S51 PolarHBondContact O-N 3.47Å; L48-P52 WeakPolarHBondContact O-CD 3.25Å
49L87.4Confident84.1Confident0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-60.1-22.2178.4-66.7171.2000113.5W5 I9 L32 E35 L36 I45 K46W5-L49 HydrophobicContact CB-CD2 4.32Å; W5-L49 HydrophobicContact CD2-CD2 3.5Å; W5-L49 VanDerWaalsContact CD2-CD2 3.5Å; W5-L49 HydrophobicContact CE3-CD2 3.27Å; W5-L49 HydrophobicContact CG-CD2 3.96Å; W5-L49 HydrophobicContact CH2-CD2 4.4Å; W5-L49 HydrophobicContact CZ3-CD2 3.75Å; I9-L49 HydrophobicContact CD1-CD2 3.93Å; I9-L49 HydrophobicContact CD1-CG 4.42Å; L32-L49 HydrophobicContact CD2-CB 4.34Å; L32-L49 HydrophobicContact CD2-CD2 3.53Å; E35-L49 HydrophobicContact CB-CD1 3.88Å; L36-L49 HydrophobicContact CD2-CB 3.78Å; L36-L49 HydrophobicContact CD2-CD1 4.25Å; L36-L49 HydrophobicContact CG-CB 4.07Å; L36-L49 HydrophobicContact CG-CD1 4.29Å; I45-L49 HydrophobicContact CG2-CD1 4.15Å; I45-L49 HydrophobicContact CG2-CG 4.28Å; I45-L49 WeakPolarHBondContact O-CG 3.29Å; I45-L49 PolarHBondContact O-N 3.5Å; K46-L49 PolarHBondContact O-N 3.02Å
50L88.4Confident84.5Confident1 Ų147.3 Ų47.31%0.00525%0.25CC..THydrogen-bonded Turntrans-82.1-18.9175.9-67.6174.8000114L36 K46 V47 L48 L53 C54 L74 F88 R91 L92 A95L36-L50 HydrophobicContact CD1-CD2 3.91Å; L36-L50 HydrophobicContact CD2-CD2 4.09Å; L36-L50 HydrophobicContact CD2-CG 4.16Å; K46-L50 PolarHBondContact O-N 3.4Å; V47-L50 PolarHBondContact O-N 3.26Å; L48-L50 PolarHBondContact O-N 3.05Å; L48-L50 VanDerWaalsContact O-N 3.13Å; L50-L53 HydrophobicContact CD2-CD1 4.27Å; L50-L53 PolarHBondContact O-N 2.58Å; L50-C54 PolarHBondContact O-N 2.78Å; L50-C54 VanDerWaalsContact O-N 3.16Å; L50-C54 PolarHBondContact O-SG 3.3Å; L50-L74 HydrophobicContact CD2-CD2 4.03Å; L50-F88 HydrophobicContact CD1-CD2 3.89Å; L50-F88 HydrophobicContact CD1-CE2 3.49Å; L50-F88 VanDerWaalsContact CD1-CE2 3.49Å; L50-F88 HydrophobicContact CD1-CZ 4.35Å; L50-F88 HydrophobicContact CG-CE2 4.16Å; L50-R91 HydrophobicContact CD1-CB 4.08Å; L50-L92 HydrophobicContact CD1-CB 3.96Å; L50-L92 HydrophobicContact CD1-CG 4.49Å; L50-A95 HydrophobicContact CB-CB 4.43Å; L50-A95 HydrophobicContact CD2-CB 4.03Å
51S88.8Confident84.8Confident28 Ų2836.5 Ų36.520%0.19621%0.209CC..Hα-helixtrans-59.8-44.5-177.8155.50000113.2L48 L53 C54 E55L48-S51 WeakPolarHBondContact O-CB 3.48Å; L48-S51 PolarHBondContact O-N 3.47Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3Å; S51-C54 PolarHBondContact O-N 2.98Å; S51-E55 PolarHBondContact O-N 2.72Å; S51-E55 PolarHBondContact OG-OE1 2.69Å
52P87.8Confident84.6Confident0 Ų040.2 Ų40.20%024%0.235CC..Hα-helixtrans-55.8-38.1174.6-29.136.6000113.8I9 F12 L32 L48 Y56 L60I9-P52 HydrophobicContact CG2-CG 4.24Å; F12-P52 HydrophobicContact CD1-CB 4.01Å; F12-P52 HydrophobicContact CD1-CG 4.09Å; F12-P52 HydrophobicContact CE1-CB 3.66Å; F12-P52 HydrophobicContact CE1-CG 4.25Å; F12-P52 HydrophobicContact CZ-CB 4.41Å; L32-P52 HydrophobicContact CD1-CB 4.38Å; L48-P52 WeakPolarHBondContact O-CD 3.25Å; P52-Y56 CarbonylContact O-C 3.59Å; P52-Y56 WeakPolarHBondContact O-CA 3.39Å; P52-Y56 PolarHBondContact O-N 3.17Å; P52-L60 HydrophobicContact CB-CD1 3.85Å
53L87Confident84.4Confident0 Ų039.5 Ų39.50%023%0.23CC..Hα-helixtrans-73-26.7178.7-66.9168.2000112.7L29 L36 L50 S51 P57 L60 T70 L74 A95 V99L29-L53 HydrophobicContact CD1-CD2 3.75Å; L36-L53 HydrophobicContact CD1-CD1 4.48Å; L50-L53 HydrophobicContact CD2-CD1 4.27Å; L50-L53 PolarHBondContact O-N 2.58Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3Å; L53-P57 WeakPolarHBondContact O-CB 3.33Å; L53-L60 HydrophobicContact CD2-CD1 3.92Å; L53-L60 HydrophobicContact CG-CD1 4.42Å; L53-T70 HydrophobicContact CD2-CG2 4.27Å; L53-L74 HydrophobicContact CD1-CD1 4.18Å; L53-L74 HydrophobicContact CD1-CD2 4.24Å; L53-A95 HydrophobicContact CB-CB 4.35Å; L53-V99 HydrophobicContact CB-CG2 4.23Å; L53-V99 HydrophobicContact CD2-CG2 4.08Å
54C87.6Confident84.3Confident43 Ų4341.2 Ų41.229%0.29124%0.239SC..Hα-helixtrans-80-38.1174.5-65.60000112.6L50 S51L50-C54 PolarHBondContact O-N 2.78Å; L50-C54 VanDerWaalsContact O-N 3.16Å; L50-C54 PolarHBondContact O-SG 3.3Å; S51-C54 PolarHBondContact O-N 2.98Å
55E87.6Confident84.3Confident107 Ų10742.3 Ų42.350%0.524%0.24SC..Hα-helixtrans-92-37.5-172.1-70.3169.8-149.900113.3S51S51-E55 PolarHBondContact O-N 2.72Å; S51-E55 PolarHBondContact OG-OE1 2.69Å
56Y86.9Confident84.3Confident78 Ų7840.2 Ų40.231%0.30623%0.231SC..  trans-129.747.8-175-56.7-80.9000113.7F12 P16 P52 T58 L59 L60F12-Y56 AromaticContact CE1-CD2 3.67Å; F12-Y56 HydrophobicContact CE1-CD2 3.67Å; F12-Y56 HydrophobicContact CE1-CE2 4.42Å; F12-Y56 HydrophobicContact CE1-CG 4.23Å; F12-Y56 HydrophobicContact CZ-CD2 4.26Å; F12-Y56 HydrophobicContact CZ-CG 4.38Å; P16-Y56 HydrophobicContact CB-CD1 4.41Å; P16-Y56 HydrophobicContact CB-CE1 4.46Å; P16-Y56 HydrophobicContact CG-CD1 4.14Å; P16-Y56 HydrophobicContact CG-CD2 4.25Å; P16-Y56 HydrophobicContact CG-CE1 3.74Å; P16-Y56 HydrophobicContact CG-CE2 3.86Å; P16-Y56 HydrophobicContact CG-CG 4.37Å; P52-Y56 CarbonylContact O-C 3.59Å; P52-Y56 WeakPolarHBondContact O-CA 3.39Å; P52-Y56 PolarHBondContact O-N 3.17Å; Y56-T58 VanDerWaalsContact C-N 3.34Å; Y56-T58 PolarHBondContact O-N 3.36Å; Y56-L59 PolarHBondContact O-N 2.8Å; Y56-L60 PolarHBondContact O-N 2.87Å
57P84.4Confident84.1Confident7 Ų739.8 Ų39.85%0.04523%0.229CC..Hα-helixtrans-62.1-36.9-179.524.3-33.4000113.3L53 L59 L60 C61 V99 C102L53-P57 WeakPolarHBondContact O-CB 3.33Å; P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 PolarHBondContact O-N 2.97Å; P57-L60 PolarHBondContact O-N 2.93Å; P57-C61 WeakPolarHBondContact O-CB 3.31Å; P57-C61 PolarHBondContact O-N 2.85Å; P57-V99 HydrophobicContact CB-CG2 4.39Å; P57-C102 HydrophobicContact CB-CB 3.86Å; P57-C102 HydrophobicContact CG-CB 3.49Å; P57-C102 VanDerWaalsContact CG-CB 3.49Å; P57-C102 WeakPolarHBondContact CG-SG 3.34Å
58T83.7Confident84.1Confident91 Ų9141.4 Ų41.456%0.55824%0.235SC*.Hα-helixtrans-66.4-28.717951.70000113.4Y56 C102Y56-T58 VanDerWaalsContact C-N 3.34Å; Y56-T58 PolarHBondContact O-N 3.36Å; T58-C102 HydrophobicContact CG2-CB 3.85Å
59L82.5Confident84.2Confident67 Ų6744.3 Ų44.335%0.35125%0.247SC..Hα-helixtrans-81.1-35.2179.6-169.475.7000111.4F12 P16 L20 Y56 P57F12-L59 HydrophobicContact CE2-CD2 4.39Å; F12-L59 HydrophobicContact CZ-CD2 4.3Å; P16-L59 HydrophobicContact CB-CD2 3.5Å; L20-L59 HydrophobicContact CD1-CD1 4.29Å; L20-L59 HydrophobicContact CD1-CD2 3.4Å; L20-L59 HydrophobicContact CD1-CG 3.46Å; L20-L59 VanDerWaalsContact CD1-CG 3.46Å; Y56-L59 PolarHBondContact O-N 2.8Å; P57-L59 VanDerWaalsContact C-N 3.28Å; P57-L59 PolarHBondContact O-N 2.97Å
60L81.7Confident84.2Confident0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-83.3-37.3179.3-65.1173.4000112.5F12 L20 F28 P52 L53 Y56 P57F12-L60 HydrophobicContact CE2-CD2 4.27Å; F12-L60 HydrophobicContact CZ-CD2 4.13Å; F12-L60 HydrophobicContact CZ-CG 4.38Å; L20-L60 HydrophobicContact CD2-CD2 4.42Å; F28-L60 HydrophobicContact CD1-CD2 3.81Å; F28-L60 HydrophobicContact CE1-CD2 4.29Å; P52-L60 HydrophobicContact CB-CD1 3.85Å; L53-L60 HydrophobicContact CD2-CD1 3.92Å; L53-L60 HydrophobicContact CG-CD1 4.42Å; Y56-L60 PolarHBondContact O-N 2.87Å; P57-L60 PolarHBondContact O-N 2.93Å
61C81.8Confident84.2Confident4 Ų444.5 Ų44.53%0.02725%0.248CC..  trans-109.886.8178.3-59.20000109.1P57 S63P57-C61 WeakPolarHBondContact O-CB 3.31Å; P57-C61 PolarHBondContact O-N 2.85Å; C61-S63 VanDerWaalsContact C-N 3.3Å; C61-S63 PolarHBondContact O-N 2.93Å
62S75.1Confident84.2Confident92 Ų9246.6 Ų46.664%0.64326%0.256SS*.  trans-76.5-13.5-177.7570000114.3
63S79.1Confident84.2Confident49 Ų4948.7 Ų48.734%0.34327%0.268SS..SBendtrans-132.4155.3179.863.10000111.8C61 S65 A66 G67C61-S63 VanDerWaalsContact C-N 3.3Å; C61-S63 PolarHBondContact O-N 2.93Å; S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 2.78Å; S63-S65 PolarHBondContact OG-OG 3.2Å; S63-A66 PolarHBondContact O-N 2.94Å; S63-A66 VanDerWaalsContact OG-CB 3.28Å; S63-A66 WeakPolarHBondContact OG-CB 3.44Å; S63-A66 PolarHBondContact OG-N 2.95Å; S63-G67 PolarHBondContact O-N 3.3Å
64E78.2Confident84.4Confident87 Ų8748.7 Ų48.741%0.40727%0.268SS..Hα-helixtrans-60.1-38.3175.5-54.1-161.715900111.4G67 E68 S104 C105 S108E64-G67 PolarHBondContact O-N 2.97Å; E64-E68 PolarHBondContact O-N 2.75Å; E64-S104 PolarHBondContact OE1-OG 2.85Å; E64-C105 PolarHBondContact O-SG 3.44Å; E64-S108 VanDerWaalsContact OE2-CB 3.28Å; E64-S108 WeakPolarHBondContact OE2-CB 3.47Å; E64-S108 PolarHBondContact OE2-OG 2.88Å
65S80.9Confident84.5Confident72 Ų7247.9 Ų47.950%0.50326%0.26SS..Hα-helixtrans-64.8-40.8176.9520000112.7S63 G67 E68 E69S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 2.78Å; S63-S65 PolarHBondContact OG-OG 3.2Å; S65-G67 VanDerWaalsContact C-N 3.33Å; S65-E68 PolarHBondContact O-N 3.44Å; S65-E69 WeakPolarHBondContact O-CG 3.3Å; S65-E69 PolarHBondContact O-N 3.27Å
66A82.8Confident84.6Confident14 Ų1444.2 Ų44.212%0.11625%0.246CC..Hα-helixtrans-66.6-36.6176.400000111.8S63 T70S63-A66 PolarHBondContact O-N 2.94Å; S63-A66 VanDerWaalsContact OG-CB 3.28Å; S63-A66 WeakPolarHBondContact OG-CB 3.44Å; S63-A66 PolarHBondContact OG-N 2.95Å; A66-T70 VanDerWaalsContact O-CB 3.26Å; A66-T70 WeakPolarHBondContact O-CB 3.42Å; A66-T70 PolarHBondContact O-N 3.07Å; A66-T70 PolarHBondContact O-OG1 3.29Å
67G83.8Confident84.6Confident0 Ų040.9 Ų40.90%023%0.234CC..Hα-helixtrans-62.6-45.317200000112.6S63 E64 S65 T70 A71S63-G67 PolarHBondContact O-N 3.3Å; E64-G67 PolarHBondContact O-N 2.97Å; S65-G67 VanDerWaalsContact C-N 3.33Å; G67-T70 PolarHBondContact O-N 3.5Å; G67-A71 WeakPolarHBondContact O-CB 3.35Å; G67-A71 PolarHBondContact O-N 2.78Å
68E85.9Confident84.8Confident56 Ų5640.8 Ų40.826%0.26223%0.233SC..Hα-helixtrans-63.5-48.1178.2-178.6163.5-150.100112.1E64 S65 T70 A71 L72 R111 A112E64-E68 PolarHBondContact O-N 2.75Å; S65-E68 PolarHBondContact O-N 3.44Å; E68-T70 PolarHBondContact O-N 3.02Å; E68-A71 PolarHBondContact O-N 3.38Å; E68-L72 HydrophobicContact CG-CD1 4.39Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 3.41Å; E68-R111 PolarHBondContact OE1-N 2.75Å; E68-R111 VanDerWaalsContact OE1-N 3.11Å; E68-A112 HydrophobicContact CG-CB 3.7Å; E68-A112 PolarHBondContact OE1-N 2.88Å
69E86.9Confident84.9Confident135 Ų13541.4 Ų41.463%0.63124%0.237SC*.Hα-helixtrans-60.8-44.4177.2-72.9-178.6-178.800111.8S65 A71 L72 D73S65-E69 WeakPolarHBondContact O-CG 3.3Å; S65-E69 PolarHBondContact O-N 3.27Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 2.99Å; E69-L72 PolarHBondContact O-N 3.42Å; E69-D73 WeakPolarHBondContact O-CB 3.44Å; E69-D73 PolarHBondContact O-N 3.41Å
70T88.1Confident85.1Confident4 Ų444 Ų443%0.02525%0.247CC..Hα-helixtrans-61.7-40.2176.6-59.40000111.4L29 L33 L53 A66 G67 E68 D73 L74 V99L29-T70 HydrophobicContact CD1-CG2 4.09Å; L33-T70 HydrophobicContact CD1-CG2 4.33Å; L33-T70 HydrophobicContact CD2-CG2 4.28Å; L53-T70 HydrophobicContact CD2-CG2 4.27Å; A66-T70 VanDerWaalsContact O-CB 3.26Å; A66-T70 WeakPolarHBondContact O-CB 3.42Å; A66-T70 PolarHBondContact O-N 3.07Å; A66-T70 PolarHBondContact O-OG1 3.29Å; G67-T70 PolarHBondContact O-N 3.5Å; E68-T70 PolarHBondContact O-N 3.02Å; T70-D73 PolarHBondContact O-N 3.43Å; T70-L74 HydrophobicContact CG2-CD1 4.15Å; T70-L74 HydrophobicContact CG2-CG 4.45Å; T70-L74 WeakPolarHBondContact O-CB 3.22Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.32Å; T70-L74 PolarHBondContact O-N 3.24Å; T70-V99 HydrophobicContact CG2-CG1 4.21Å; T70-V99 HydrophobicContact CG2-CG2 4.45Å
71A88.6Confident85.1Confident0 Ų044.5 Ų44.50%025%0.25CS..Hα-helixtrans-65.9-44177.500000112.2G67 E68 E69 D73 L74 M75 L96 L100 A112G67-A71 WeakPolarHBondContact O-CB 3.35Å; G67-A71 PolarHBondContact O-N 2.78Å; E68-A71 PolarHBondContact O-N 3.38Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 2.99Å; A71-D73 VanDerWaalsContact C-N 3.3Å; A71-D73 PolarHBondContact O-N 3.24Å; A71-L74 PolarHBondContact O-N 2.89Å; A71-M75 WeakPolarHBondContact O-CB 3.48Å; A71-M75 WeakPolarHBondContact O-CG 3.44Å; A71-M75 PolarHBondContact O-N 3.31Å; A71-L96 HydrophobicContact CB-CD2 4.15Å; A71-L96 VanDerWaalsContact O-CD2 3.25Å; A71-L96 WeakPolarHBondContact O-CD2 3.23Å; A71-L100 HydrophobicContact CB-CD1 4.37Å; A71-L100 HydrophobicContact CB-CD2 3.54Å; A71-L100 HydrophobicContact CB-CG 3.88Å; A71-A112 HydrophobicContact CB-CB 4.24Å
72L88.8Confident85Confident72 Ų7246.6 Ų46.638%0.37726%0.264SS..Hα-helixtrans-61.5-40.9174.7-68.9174.1000111.6E68 E69 M75 S76 A112E68-L72 HydrophobicContact CG-CD1 4.39Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 3.41Å; E69-L72 PolarHBondContact O-N 3.42Å; L72-M75 HydrophobicContact CD2-CE 4.48Å; L72-M75 PolarHBondContact O-N 2.7Å; L72-S76 PolarHBondContact O-N 3.39Å; L72-A112 HydrophobicContact CD2-CB 3.83Å; L72-A112 HydrophobicContact CG-CB 3.9Å
73D87.9Confident85Confident44 Ų4447 Ų4724%0.23527%0.266CS..Hα-helixtrans-63.8-46.2177-86.37.1000111.9L33 R37 E69 T70 A71 S76 V77L33-D73 HydrophobicContact CD1-CB 4.22Å; L33-D73 HydrophobicContact CD2-CB 4.25Å; R37-D73 IonicContact CZ-OD1 2.73Å; R37-D73 IonicContact CZ-OD2 3.84Å; R37-D73 IonicContact NH1-OD1 3.85Å; R37-D73 IonicContact NH1-OD2 3.36Å; R37-D73 PolarHBondContact NH1-OD2 2.99Å; R37-D73 IonicContact NH2-OD1 3.45Å; R37-D73 PolarHBondContact NH2-OD1 3.27Å; R37-D73 IonicContact NH2-OD2 2.75Å; R37-D73 PolarHBondContact NH2-OD2 3.24Å; R37-D73 VanDerWaalsContact NH2-OD2 3.08Å; E69-D73 WeakPolarHBondContact O-CB 3.44Å; E69-D73 PolarHBondContact O-N 3.41Å; T70-D73 PolarHBondContact O-N 3.43Å; A71-D73 VanDerWaalsContact C-N 3.3Å; A71-D73 PolarHBondContact O-N 3.24Å; D73-S76 WeakPolarHBondContact O-CB 3.04Å; D73-S76 PolarHBondContact O-N 3.18Å; D73-S76 PolarHBondContact O-OG 2.83Å; D73-V77 WeakPolarHBondContact O-CG2 3.49Å; D73-V77 PolarHBondContact O-N 3.1Å; D73-V77 VanDerWaalsContact O-N 3.11Å
74L90Very high84.8Confident0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-65.4-38.4175.5-71.8175000112.1L33 L36 L50 L53 T70 A71 S76 V77 F78 L92 L96L33-L74 HydrophobicContact CD2-CD2 3.96Å; L33-L74 HydrophobicContact CD2-CG 4.16Å; L36-L74 HydrophobicContact CD1-CD2 4Å; L50-L74 HydrophobicContact CD2-CD2 4.03Å; L53-L74 HydrophobicContact CD1-CD1 4.18Å; L53-L74 HydrophobicContact CD1-CD2 4.24Å; T70-L74 HydrophobicContact CG2-CD1 4.15Å; T70-L74 HydrophobicContact CG2-CG 4.45Å; T70-L74 WeakPolarHBondContact O-CB 3.22Å; T70-L74 VanDerWaalsContact O-CG 3.27Å; T70-L74 WeakPolarHBondContact O-CG 3.32Å; T70-L74 PolarHBondContact O-N 3.24Å; A71-L74 PolarHBondContact O-N 2.89Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.11Å; L74-V77 WeakPolarHBondContact O-CB 3.48Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-V77 VanDerWaalsContact O-N 3.15Å; L74-F78 PolarHBondContact O-N 3.07Å; L74-L92 WeakPolarHBondContact O-CD2 3.23Å; L74-L96 HydrophobicContact CB-CD1 4.41Å; L74-L96 HydrophobicContact CB-CD2 3.37Å; L74-L96 HydrophobicContact CB-CG 3.79Å; L74-L96 HydrophobicContact CD1-CD2 4.01Å; L74-L96 HydrophobicContact CD1-CG 4.23Å; L74-L96 HydrophobicContact CG-CD2 4.36Å
75M89.2Confident85Confident27 Ų2752.2 Ų52.213%0.13328%0.277CS..Hα-helixtrans-60.8-38.9172.6-78.2173.441.500111.6A71 L72 V77 F78 T79 L96 D115 F116A71-M75 WeakPolarHBondContact O-CB 3.48Å; A71-M75 WeakPolarHBondContact O-CG 3.44Å; A71-M75 PolarHBondContact O-N 3.31Å; L72-M75 HydrophobicContact CD2-CE 4.48Å; L72-M75 PolarHBondContact O-N 2.7Å; M75-V77 VanDerWaalsContact C-N 3.34Å; M75-V77 PolarHBondContact O-N 3.11Å; M75-F78 VanDerWaalsContact O-CB 3.32Å; M75-F78 WeakPolarHBondContact O-CB 3.05Å; M75-F78 PolarHBondContact O-N 3.13Å; M75-T79 WeakPolarHBondContact O-CG2 3.42Å; M75-T79 PolarHBondContact O-N 2.8Å; M75-T79 VanDerWaalsContact O-N 3.08Å; M75-L96 HydrophobicContact CG-CD1 4.09Å; M75-L96 HydrophobicContact CG-CD2 4.04Å; M75-D115 HydrophobicContact CE-CB 3.68Å; M75-D115 HydrophobicContact SD-CB 4.49Å; M75-F116 HydrophobicContact CG-CD2 4.4Å; M75-F116 HydrophobicContact SD-CB 4Å
76S89.7Confident85Confident30 Ų3049.4 Ų49.421%0.2126%0.257CS..Hα-helixtrans-60.4-44.1173.782.30000111.3L72 D73 L74 F78 T79 Q80L72-S76 PolarHBondContact O-N 3.39Å; D73-S76 WeakPolarHBondContact O-CB 3.04Å; D73-S76 PolarHBondContact O-N 3.18Å; D73-S76 PolarHBondContact O-OG 2.83Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.11Å; S76-F78 VanDerWaalsContact C-N 3.3Å; S76-F78 PolarHBondContact O-N 3.3Å; S76-T79 PolarHBondContact O-N 3.24Å; S76-T79 PolarHBondContact O-OG1 2.75Å; S76-Q80 WeakPolarHBondContact O-CG 3.39Å; S76-Q80 PolarHBondContact O-N 2.91Å
77V88.2Confident85.1Confident7 Ų755.4 Ų55.44%0.04228%0.283CS..Hα-helixtrans-63.2-36.8175.8177.20000111.2R37 D73 L74 M75 T79 Q80 C81 F88 L92R37-V77 HydrophobicContact CG-CG2 3.79Å; D73-V77 WeakPolarHBondContact O-CG2 3.49Å; D73-V77 PolarHBondContact O-N 3.1Å; D73-V77 VanDerWaalsContact O-N 3.11Å; L74-V77 WeakPolarHBondContact O-CB 3.48Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-V77 VanDerWaalsContact O-N 3.15Å; M75-V77 VanDerWaalsContact C-N 3.34Å; M75-V77 PolarHBondContact O-N 3.11Å; V77-T79 PolarHBondContact O-N 3.2Å; V77-Q80 PolarHBondContact O-N 2.79Å; V77-C81 WeakPolarHBondContact O-CB 3.46Å; V77-C81 PolarHBondContact O-N 2.84Å; V77-F88 HydrophobicContact CG1-CE1 4.21Å; V77-F88 HydrophobicContact CG1-CZ 4.17Å; V77-L92 HydrophobicContact CB-CD1 4.12Å; V77-L92 HydrophobicContact CG1-CD1 3.69Å
78F88.4Confident85.2Confident6 Ų655.7 Ų55.73%0.02628%0.284CS..Hα-helixtrans-60.9-42.8174.9-170.7-101000112.6L74 M75 S76 Q80 C81 R89 L92 L93 L119 I123 L139L74-F78 PolarHBondContact O-N 3.07Å; M75-F78 VanDerWaalsContact O-CB 3.32Å; M75-F78 WeakPolarHBondContact O-CB 3.05Å; M75-F78 PolarHBondContact O-N 3.13Å; S76-F78 VanDerWaalsContact C-N 3.3Å; S76-F78 PolarHBondContact O-N 3.3Å; F78-Q80 VanDerWaalsContact C-N 3.32Å; F78-C81 PolarHBondContact O-N 3.29Å; F78-R89 HydrophobicContact CD2-CB 4.44Å; F78-R89 HydrophobicContact CE2-CB 3.91Å; F78-R89 HydrophobicContact CE2-CG 4.29Å; F78-R89 PolarHBondContact O-NH1 3.1Å; F78-L92 HydrophobicContact CB-CD2 3.61Å; F78-L92 HydrophobicContact CD2-CD2 3.75Å; F78-L92 HydrophobicContact CG-CD2 4.13Å; F78-L93 HydrophobicContact CD2-CD2 4.14Å; F78-L93 HydrophobicContact CE2-CD1 4.36Å; F78-L93 HydrophobicContact CE2-CD2 3.69Å; F78-L93 HydrophobicContact CE2-CG 3.86Å; F78-L93 HydrophobicContact CZ-CD2 3.99Å; F78-L93 HydrophobicContact CZ-CG 4.41Å; F78-L119 HydrophobicContact CD1-CD1 4.28Å; F78-L119 HydrophobicContact CD1-CD2 3.81Å; F78-L119 HydrophobicContact CE1-CD1 4Å; F78-L119 HydrophobicContact CE1-CD2 4.03Å; F78-L119 HydrophobicContact CE1-CG 4.3Å; F78-L119 HydrophobicContact CG-CD2 4.48Å; F78-I123 HydrophobicContact CE1-CD1 3.72Å; F78-I123 HydrophobicContact CZ-CD1 3.47Å; F78-I123 VanDerWaalsContact CZ-CD1 3.47Å; F78-I123 HydrophobicContact CZ-CG1 4.44Å; F78-L139 HydrophobicContact CE2-CD1 4.29Å; F78-L139 HydrophobicContact CZ-CD1 4.44Å; F78-L139 HydrophobicContact CZ-CD2 4.42Å
79T85.8Confident85.3Confident104 Ų10454.7 Ų54.764%0.63828%0.278SS*.Hα-helixtrans-68.8-32.4-179.562.50000112.5M75 S76 V77M75-T79 WeakPolarHBondContact O-CG2 3.42Å; M75-T79 PolarHBondContact O-N 2.8Å; M75-T79 VanDerWaalsContact O-N 3.08Å; S76-T79 PolarHBondContact O-N 3.24Å; S76-T79 PolarHBondContact O-OG1 2.75Å; V77-T79 PolarHBondContact O-N 3.2Å
80Q85.4Confident85.4Confident121 Ų12148.8 Ų48.857%0.56525%0.251SS*.Hα-helixtrans-81.3-24.2-179.9-65.7169.314.700112.6S76 V77 F78S76-Q80 WeakPolarHBondContact O-CG 3.39Å; S76-Q80 PolarHBondContact O-N 2.91Å; V77-Q80 PolarHBondContact O-N 2.79Å; F78-Q80 VanDerWaalsContact C-N 3.32Å
81C82.7Confident85.5Confident10 Ų1055 Ų557%0.06827%0.274CS..SBendtrans-71.1124.8-178.5-179.70000112.3V77 F78 F88 R89V77-C81 WeakPolarHBondContact O-CB 3.46Å; V77-C81 PolarHBondContact O-N 2.84Å; F78-C81 PolarHBondContact O-N 3.29Å; C81-F88 HydrophobicContact CB-CD1 4.47Å; C81-F88 HydrophobicContact CB-CE1 4.41Å; C81-R89 HydrophobicContact CB-CG 4.33Å; C81-R89 PolarHBondContact O-NH1 3.41Å
82P79.6Confident85.6Confident49 Ų4955 Ų5532%0.31827%0.274SS..  trans-67150.4178.827.5-32.6000112.1Y43 R84 F85Y43-P82 VanDerWaalsContact OH-CD 3.27Å; Y43-P82 WeakPolarHBondContact OH-CD 3.32Å; P82-R84 HydrophobicContact CB-CG 4.24Å; P82-R84 HydrophobicContact CG-CG 4.21Å; P82-R84 PolarHBondContact O-N 3.01Å; P82-R84 VanDerWaalsContact O-N 3.13Å; P82-F85 HydrophobicContact CG-CD2 3.79Å; P82-F85 HydrophobicContact CG-CE2 4.01Å; P82-F85 PolarHBondContact O-N 3.19Å
83S74.9Confident85.8Confident99 Ų9951.6 Ų51.669%0.69226%0.256SS*.THydrogen-bonded Turntrans-60.2-24.5-174.953.90000114.6F85S83-F85 PolarHBondContact O-N 2.92Å
84R75.8Confident86Confident183 Ų18352.5 Ų52.569%0.69126%0.263SS*.THydrogen-bonded Turntrans-61.4-21.817968.1-175.6177.2177.3-0.4115P82P82-R84 HydrophobicContact CB-CG 4.24Å; P82-R84 HydrophobicContact CG-CG 4.21Å; P82-R84 PolarHBondContact O-N 3.01Å; P82-R84 VanDerWaalsContact O-N 3.13Å
85F81.5Confident86Confident63 Ų6352.5 Ų52.528%0.27626%0.263SS..  trans-103.360.7-179.2-61.1-66.8000111.9Y43 P82 S83 Q87 F88 R89Y43-F85 HydrophobicContact CD1-CB 3.94Å; Y43-F85 HydrophobicContact CD1-CD1 4.35Å; Y43-F85 AromaticContact CD1-CD2 3.83Å; Y43-F85 HydrophobicContact CD1-CD2 3.83Å; Y43-F85 HydrophobicContact CD1-CE2 4.42Å; Y43-F85 AromaticContact CD1-CG 3.8Å; Y43-F85 HydrophobicContact CD1-CG 3.8Å; Y43-F85 AromaticContact CD2-CD1 4Å; Y43-F85 HydrophobicContact CD2-CD1 4Å; Y43-F85 AromaticContact CD2-CD2 3.7Å; Y43-F85 HydrophobicContact CD2-CD2 3.7Å; Y43-F85 AromaticContact CD2-CE1 3.76Å; Y43-F85 HydrophobicContact CD2-CE1 3.76Å; Y43-F85 AromaticContact CD2-CE2 3.44Å; Y43-F85 HydrophobicContact CD2-CE2 3.44Å; Y43-F85 VanDerWaalsContact CD2-CE2 3.44Å; Y43-F85 AromaticContact CD2-CG 3.98Å; Y43-F85 HydrophobicContact CD2-CG 3.98Å; Y43-F85 AromaticContact CD2-CZ 3.49Å; Y43-F85 HydrophobicContact CD2-CZ 3.49Å; Y43-F85 VanDerWaalsContact CD2-CZ 3.49Å; Y43-F85 HydrophobicContact CE1-CB 4.07Å; Y43-F85 AromaticContact CE1-CD2 3.45Å; Y43-F85 HydrophobicContact CE1-CD2 3.45Å; Y43-F85 VanDerWaalsContact CE1-CD2 3.45Å; Y43-F85 HydrophobicContact CE1-CE2 4.04Å; Y43-F85 AromaticContact CE1-CG 3.88Å; Y43-F85 HydrophobicContact CE1-CG 3.88Å; Y43-F85 HydrophobicContact CE2-CD1 4.48Å; Y43-F85 AromaticContact CE2-CD2 3.36Å; Y43-F85 HydrophobicContact CE2-CD2 3.36Å; Y43-F85 HydrophobicContact CE2-CE1 4.22Å; Y43-F85 AromaticContact CE2-CE2 3Å; Y43-F85 HydrophobicContact CE2-CE2 3Å; Y43-F85 HydrophobicContact CE2-CG 4.11Å; Y43-F85 AromaticContact CE2-CZ 3.51Å; Y43-F85 HydrophobicContact CE2-CZ 3.51Å; Y43-F85 HydrophobicContact CG-CB 4.38Å; Y43-F85 AromaticContact CG-CD1 3.95Å; Y43-F85 HydrophobicContact CG-CD1 3.95Å; Y43-F85 AromaticContact CG-CD2 3.93Å; Y43-F85 HydrophobicContact CG-CD2 3.93Å; Y43-F85 HydrophobicContact CG-CE1 4.16Å; Y43-F85 HydrophobicContact CG-CE2 4.15Å; Y43-F85 AromaticContact CG-CG 3.84Å; Y43-F85 HydrophobicContact CG-CG 3.84Å; Y43-F85 HydrophobicContact CG-CZ 4.27Å; Y43-F85 AromaticContact CZ-CD2 3.2Å; Y43-F85 AromaticContact CZ-CE2 3.33Å; P82-F85 HydrophobicContact CG-CD2 3.79Å; P82-F85 HydrophobicContact CG-CE2 4.01Å; P82-F85 PolarHBondContact O-N 3.19Å; S83-F85 PolarHBondContact O-N 2.92Å; F85-Q87 VanDerWaalsContact C-N 3.32Å; F85-Q87 PolarHBondContact O-N 2.02Å; F85-F88 HydrophobicContact CB-CB 4.45Å; F85-F88 PolarHBondContact O-N 3.05Å; F85-R89 PolarHBondContact O-N 2.89Å; F85-R89 VanDerWaalsContact O-N 3.16Å
86S80.4Confident86.1Confident13 Ų1351.2 Ų51.29%0.09126%0.257CS..Hα-helixtrans-57.9-38.2-176.857.50000113.8F88 R89 C90S86-F88 PolarHBondContact O-N 2.98Å; S86-R89 PolarHBondContact O-N 3.34Å; S86-C90 PolarHBondContact O-N 2.83Å; S86-C90 PolarHBondContact O-SG 3.03Å
87Q84.6Confident86.2Confident141 Ų14150.1 Ų50.166%0.65925%0.249SC*.Hα-helixtrans-61.7-42.3179.3-68.2-178.9-4.700112.8F85 C90 R91F85-Q87 VanDerWaalsContact C-N 3.32Å; F85-Q87 PolarHBondContact O-N 2.02Å; Q87-C90 PolarHBondContact O-N 3.48Å; Q87-R91 PolarHBondContact O-N 3.46Å; Q87-R91 VanDerWaalsContact O-N 3.09Å
88F86.6Confident86.3Confident5 Ų551.2 Ų51.22%0.02226%0.257CS..Hα-helixtrans-67.9-44176.3174.8-110.9000110.7L36 Y43 K46 V47 L50 V77 C81 F85 S86 C90 R91 L92L36-F88 HydrophobicContact CD2-CE2 4.22Å; L36-F88 HydrophobicContact CD2-CZ 4.26Å; Y43-F88 HydrophobicContact CD1-CB 4.09Å; Y43-F88 AromaticContact CD1-CD1 3.79Å; Y43-F88 HydrophobicContact CD1-CD1 3.79Å; Y43-F88 HydrophobicContact CD1-CE1 4.42Å; Y43-F88 AromaticContact CD1-CG 3.96Å; Y43-F88 HydrophobicContact CD1-CG 3.96Å; Y43-F88 AromaticContact CE1-CD1 3.98Å; Y43-F88 HydrophobicContact CE1-CD1 3.98Å; Y43-F88 HydrophobicContact CE1-CE1 4.4Å; K46-F88 HydrophobicContact CB-CD2 3.94Å; K46-F88 HydrophobicContact CB-CE2 3.42Å; K46-F88 VanDerWaalsContact CB-CE2 3.42Å; K46-F88 HydrophobicContact CB-CZ 3.87Å; K46-F88 HydrophobicContact CD-CE1 4.5Å; K46-F88 HydrophobicContact CD-CZ 4.14Å; V47-F88 HydrophobicContact CG2-CB 4.03Å; V47-F88 HydrophobicContact CG2-CD2 3.77Å; V47-F88 HydrophobicContact CG2-CG 4.39Å; L50-F88 HydrophobicContact CD1-CD2 3.89Å; L50-F88 HydrophobicContact CD1-CE2 3.49Å; L50-F88 VanDerWaalsContact CD1-CE2 3.49Å; L50-F88 HydrophobicContact CD1-CZ 4.35Å; L50-F88 HydrophobicContact CG-CE2 4.16Å; V77-F88 HydrophobicContact CG1-CE1 4.21Å; V77-F88 HydrophobicContact CG1-CZ 4.17Å; C81-F88 HydrophobicContact CB-CD1 4.47Å; C81-F88 HydrophobicContact CB-CE1 4.41Å; F85-F88 HydrophobicContact CB-CB 4.45Å; F85-F88 PolarHBondContact O-N 3.05Å; S86-F88 PolarHBondContact O-N 2.98Å; F88-C90 VanDerWaalsContact C-N 3.31Å; F88-C90 PolarHBondContact O-N 3Å; F88-R91 PolarHBondContact O-N 2.92Å; F88-L92 HydrophobicContact CE1-CD1 3.93Å; F88-L92 HydrophobicContact CE2-CD1 4.41Å; F88-L92 HydrophobicContact CZ-CD1 3.7Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 PolarHBondContact O-N 3.45Å
89R88.4Confident86.3Confident36 Ų3650.9 Ų50.914%0.13626%0.256CS..Hα-helixtrans-57.9-41.5175.2-68.3176.267.881.72.5112.2F78 C81 F85 S86 L92 L93 L139F78-R89 HydrophobicContact CD2-CB 4.44Å; F78-R89 HydrophobicContact CE2-CB 3.91Å; F78-R89 HydrophobicContact CE2-CG 4.29Å; F78-R89 PolarHBondContact O-NH1 3.1Å; C81-R89 HydrophobicContact CB-CG 4.33Å; C81-R89 PolarHBondContact O-NH1 3.41Å; F85-R89 PolarHBondContact O-N 2.89Å; F85-R89 VanDerWaalsContact O-N 3.16Å; S86-R89 PolarHBondContact O-N 3.34Å; R89-L92 PolarHBondContact O-N 3.27Å; R89-L93 WeakPolarHBondContact O-CG 3.38Å; R89-L93 PolarHBondContact O-N 3.31Å; R89-L139 HydrophobicContact CB-CD1 3.74Å
90C89Confident86.4Confident11 Ų1146 Ų467%0.07423%0.226CC..Hα-helixtrans-63.4-49.6176.2-63.70000111.3S86 Q87 F88 L92 L93 V94 T142S86-C90 PolarHBondContact O-N 2.83Å; S86-C90 PolarHBondContact O-SG 3.03Å; Q87-C90 PolarHBondContact O-N 3.48Å; F88-C90 VanDerWaalsContact C-N 3.31Å; F88-C90 PolarHBondContact O-N 3Å; C90-L92 PolarHBondContact O-N 2.88Å; C90-L93 PolarHBondContact O-N 3.17Å; C90-V94 WeakPolarHBondContact O-CG2 3.46Å; C90-V94 PolarHBondContact O-N 2.7Å; C90-V94 VanDerWaalsContact O-N 3.12Å; C90-T142 HydrophobicContact CB-CG2 4.06Å; C90-T142 WeakPolarHBondContact O-CG2 3.5Å
91R89.6Confident86.4Confident133 Ų13342.3 Ų42.350%0.50221%0.211SC..Hα-helixtrans-62.5-32.1177.6-71.7-172.1-174.1-153.14.9112.7V47 L50 Q87 F88 V94 A95V47-R91 VanDerWaalsContact CG1-CD 3.47Å; L50-R91 HydrophobicContact CD1-CB 4.08Å; Q87-R91 PolarHBondContact O-N 3.46Å; Q87-R91 VanDerWaalsContact O-N 3.09Å; F88-R91 PolarHBondContact O-N 2.92Å; R91-V94 PolarHBondContact O-N 3.32Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.87Å
92L91.1Very high86.5Confident1 Ų144.8 Ų44.81%0.00523%0.228CC..Hα-helixtrans-70.5-37.1177.1-167.1143000112.1L50 L74 V77 F78 F88 R89 C90 V94 A95 L96L50-L92 HydrophobicContact CD1-CB 3.96Å; L50-L92 HydrophobicContact CD1-CG 4.49Å; L74-L92 WeakPolarHBondContact O-CD2 3.23Å; V77-L92 HydrophobicContact CB-CD1 4.12Å; V77-L92 HydrophobicContact CG1-CD1 3.69Å; F78-L92 HydrophobicContact CB-CD2 3.61Å; F78-L92 HydrophobicContact CD2-CD2 3.75Å; F78-L92 HydrophobicContact CG-CD2 4.13Å; F88-L92 HydrophobicContact CE1-CD1 3.93Å; F88-L92 HydrophobicContact CE2-CD1 4.41Å; F88-L92 HydrophobicContact CZ-CD1 3.7Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 PolarHBondContact O-N 3.45Å; R89-L92 PolarHBondContact O-N 3.27Å; C90-L92 PolarHBondContact O-N 2.88Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-A95 PolarHBondContact O-N 3.21Å; L92-L96 HydrophobicContact CD2-CD1 3.6Å; L92-L96 HydrophobicContact CD2-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 3.15Å
93L92.3Very high86.5Confident0 Ų042.8 Ų42.80%022%0.215CC..Hα-helixtrans-62.8-40170.5-67.2-179.9000112F78 R89 C90 L96 T97 F116 L120 I123 L139 T142 A143F78-L93 HydrophobicContact CD2-CD2 4.14Å; F78-L93 HydrophobicContact CE2-CD1 4.36Å; F78-L93 HydrophobicContact CE2-CD2 3.69Å; F78-L93 HydrophobicContact CE2-CG 3.86Å; F78-L93 HydrophobicContact CZ-CD2 3.99Å; F78-L93 HydrophobicContact CZ-CG 4.41Å; R89-L93 WeakPolarHBondContact O-CG 3.38Å; R89-L93 PolarHBondContact O-N 3.31Å; C90-L93 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 2.92Å; L93-T97 PolarHBondContact O-N 3.16Å; L93-T97 PolarHBondContact O-OG1 3.34Å; L93-F116 HydrophobicContact CD2-CE2 3.84Å; L93-F116 HydrophobicContact CD2-CZ 4.34Å; L93-L120 HydrophobicContact CD1-CD2 4.33Å; L93-L120 HydrophobicContact CD2-CD2 4.05Å; L93-I123 HydrophobicContact CD1-CD1 4.27Å; L93-I123 HydrophobicContact CD2-CD1 4.22Å; L93-L139 HydrophobicContact CD1-CD1 3.65Å; L93-L139 HydrophobicContact CD1-CG 4.39Å; L93-L139 HydrophobicContact CG-CD1 4.45Å; L93-T142 HydrophobicContact CB-CG2 4.24Å; L93-A143 HydrophobicContact CD1-CB 4.24Å
94V92.2Very high86.4Confident63 Ų6340.1 Ų40.138%0.38220%0.196SC..Hα-helixtrans-64.1-48.7176176.10000110.6C90 R91 L92 L96 T97 S98 T142C90-V94 WeakPolarHBondContact O-CG2 3.46Å; C90-V94 PolarHBondContact O-N 2.7Å; C90-V94 VanDerWaalsContact O-N 3.12Å; R91-V94 PolarHBondContact O-N 3.32Å; L92-V94 VanDerWaalsContact C-N 3.33Å; V94-L96 VanDerWaalsContact C-N 3.35Å; V94-L96 PolarHBondContact O-N 3.32Å; V94-T97 PolarHBondContact O-N 3.06Å; V94-T97 VanDerWaalsContact O-N 3.14Å; V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 3.37Å; V94-T142 HydrophobicContact CG2-CG2 3.79Å
95A91.4Very high86.1Confident0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-59.5-43.4177.400000112.2L50 L53 R91 L92 T97 S98 V99L50-A95 HydrophobicContact CB-CB 4.43Å; L50-A95 HydrophobicContact CD2-CB 4.03Å; L53-A95 HydrophobicContact CB-CB 4.35Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 3.21Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 3.26Å; A95-S98 PolarHBondContact O-N 3Å; A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.3Å; A95-V99 PolarHBondContact O-N 2.9Å
96L91.6Very high85.2Confident0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-56.3-46.4173.6-84.6168.9000112A71 L74 M75 L92 L93 V94 V99 L100 F116A71-L96 HydrophobicContact CB-CD2 4.15Å; A71-L96 VanDerWaalsContact O-CD2 3.25Å; A71-L96 WeakPolarHBondContact O-CD2 3.23Å; L74-L96 HydrophobicContact CB-CD1 4.41Å; L74-L96 HydrophobicContact CB-CD2 3.37Å; L74-L96 HydrophobicContact CB-CG 3.79Å; L74-L96 HydrophobicContact CD1-CD2 4.01Å; L74-L96 HydrophobicContact CD1-CG 4.23Å; L74-L96 HydrophobicContact CG-CD2 4.36Å; M75-L96 HydrophobicContact CG-CD1 4.09Å; M75-L96 HydrophobicContact CG-CD2 4.04Å; L92-L96 HydrophobicContact CD2-CD1 3.6Å; L92-L96 HydrophobicContact CD2-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 3.15Å; L93-L96 PolarHBondContact O-N 2.92Å; V94-L96 VanDerWaalsContact C-N 3.35Å; V94-L96 PolarHBondContact O-N 3.32Å; L96-V99 PolarHBondContact O-N 3.23Å; L96-L100 WeakPolarHBondContact O-CB 3.37Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.45Å; L96-F116 HydrophobicContact CB-CD2 4.31Å; L96-F116 HydrophobicContact CB-CE1 4.3Å; L96-F116 HydrophobicContact CB-CE2 3.66Å; L96-F116 HydrophobicContact CB-CZ 3.64Å; L96-F116 HydrophobicContact CD1-CD2 3.95Å; L96-F116 HydrophobicContact CD1-CE2 3.51Å; L96-F116 HydrophobicContact CD1-CZ 4.34Å; L96-F116 HydrophobicContact CG-CE2 4.15Å
97T90.9Very high84.6Confident8 Ų832.5 Ų32.55%0.04917%0.171CC..Hα-helixtrans-65.4-45.2179.4-52.30000111L93 V94 A95 V99 L100 V101 F116 C146 E149 M150L93-T97 PolarHBondContact O-N 3.16Å; L93-T97 PolarHBondContact O-OG1 3.34Å; V94-T97 PolarHBondContact O-N 3.06Å; V94-T97 VanDerWaalsContact O-N 3.14Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 3.26Å; T97-V99 PolarHBondContact O-N 3.18Å; T97-L100 PolarHBondContact O-N 2.99Å; T97-V101 HydrophobicContact CG2-CG2 4.16Å; T97-V101 VanDerWaalsContact O-CB 3.32Å; T97-V101 WeakPolarHBondContact O-CB 3.31Å; T97-V101 VanDerWaalsContact O-CG2 3.25Å; T97-V101 WeakPolarHBondContact O-CG2 3.34Å; T97-V101 PolarHBondContact O-N 3.27Å; T97-F116 WeakPolarHBondContact OG1-CE1 3.24Å; T97-C146 HydrophobicContact CG2-CB 4.38Å; T97-C146 VanDerWaalsContact OG1-CB 3.27Å; T97-C146 WeakPolarHBondContact OG1-CB 3.43Å; T97-C146 PolarHBondContact OG1-SG 3.32Å; T97-E149 HydrophobicContact CG2-CB 4.09Å; T97-M150 HydrophobicContact CG2-CG 4.11Å
98S90.3Very high83.4Confident29 Ų2928.3 Ų28.320%0.20316%0.158CC..Hα-helixtrans-58.9-46.8176.3-64.60000112V94 A95 C102V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 3.37Å; A95-S98 PolarHBondContact O-N 3Å; S98-C102 WeakPolarHBondContact O-CB 3.32Å; S98-C102 PolarHBondContact O-N 3.25Å; S98-C102 PolarHBondContact O-SG 3.3Å
99V89.1Confident82.5Confident0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-61.6-51.1178.2171.10000110.5L53 P57 T70 A95 L96 T97 V101 S103L53-V99 HydrophobicContact CB-CG2 4.23Å; L53-V99 HydrophobicContact CD2-CG2 4.08Å; P57-V99 HydrophobicContact CB-CG2 4.39Å; T70-V99 HydrophobicContact CG2-CG1 4.21Å; T70-V99 HydrophobicContact CG2-CG2 4.45Å; A95-V99 VanDerWaalsContact O-CG2 3.32Å; A95-V99 WeakPolarHBondContact O-CG2 3.3Å; A95-V99 PolarHBondContact O-N 2.9Å; L96-V99 PolarHBondContact O-N 3.23Å; T97-V99 PolarHBondContact O-N 3.18Å; V99-V101 PolarHBondContact O-N 2.95Å; V99-S103 VanDerWaalsContact O-CB 3.26Å; V99-S103 WeakPolarHBondContact O-CB 3.45Å; V99-S103 PolarHBondContact O-N 3.42Å; V99-S103 PolarHBondContact O-OG 3.21Å
100L87Confident82Confident1 Ų131.6 Ų31.61%0.00518%0.176CC..Hα-helixtrans-64-41.8-177.4-73.6171.9000112.9A71 L96 T97 C105 V106 A112 F116A71-L100 HydrophobicContact CB-CD1 4.37Å; A71-L100 HydrophobicContact CB-CD2 3.54Å; A71-L100 HydrophobicContact CB-CG 3.88Å; L96-L100 WeakPolarHBondContact O-CB 3.37Å; L96-L100 WeakPolarHBondContact O-CG 3.41Å; L96-L100 PolarHBondContact O-N 3.45Å; T97-L100 PolarHBondContact O-N 2.99Å; L100-C105 HydrophobicContact CD2-CB 3.81Å; L100-C105 PolarHBondContact O-N 3.03Å; L100-V106 HydrophobicContact CB-CG2 3.88Å; L100-A112 HydrophobicContact CD2-CB 4.45Å; L100-F116 HydrophobicContact CD1-CB 3.92Å; L100-F116 HydrophobicContact CD1-CD1 3.46Å; L100-F116 VanDerWaalsContact CD1-CD1 3.46Å; L100-F116 HydrophobicContact CD1-CE1 4.17Å; L100-F116 HydrophobicContact CD1-CG 3.84Å
101V85.3Confident81.6Confident44 Ų4440 Ų4027%0.26721%0.206SC..Hα-helixtrans-69.8-46.6179.9169.60000111.1T97 V99 S104 V106 S153T97-V101 HydrophobicContact CG2-CG2 4.16Å; T97-V101 VanDerWaalsContact O-CB 3.32Å; T97-V101 WeakPolarHBondContact O-CB 3.31Å; T97-V101 VanDerWaalsContact O-CG2 3.25Å; T97-V101 WeakPolarHBondContact O-CG2 3.34Å; T97-V101 PolarHBondContact O-N 3.27Å; V99-V101 PolarHBondContact O-N 2.95Å; V101-S104 PolarHBondContact O-N 2.99Å; V101-V106 HydrophobicContact CG2-CG2 4.38Å; V101-S153 VanDerWaalsContact CG1-OG 3.25Å; V101-S153 WeakPolarHBondContact CG1-OG 3.49Å
102C84.7Confident81.3Confident61 Ų6133.6 Ų33.641%0.41218%0.182SC..Hα-helixtrans-75.7-23.3-175.3-67.70000114.1P57 T58 S98 S104P57-C102 HydrophobicContact CB-CB 3.86Å; P57-C102 HydrophobicContact CG-CB 3.49Å; P57-C102 VanDerWaalsContact CG-CB 3.49Å; P57-C102 WeakPolarHBondContact CG-SG 3.34Å; T58-C102 HydrophobicContact CG2-CB 3.85Å; S98-C102 WeakPolarHBondContact O-CB 3.32Å; S98-C102 PolarHBondContact O-N 3.25Å; S98-C102 PolarHBondContact O-SG 3.3Å; C102-S104 VanDerWaalsContact C-N 3.32Å
103S79.5Confident81Confident8 Ų833.7 Ų33.76%0.05618%0.183CC..THydrogen-bonded Turntrans-91.916176.162.30000113.8V99 C105V99-S103 VanDerWaalsContact O-CB 3.26Å; V99-S103 WeakPolarHBondContact O-CB 3.45Å; V99-S103 PolarHBondContact O-N 3.42Å; V99-S103 PolarHBondContact O-OG 3.21Å; S103-C105 PolarHBondContact O-N 3.13Å; S103-C105 PolarHBondContact OG-SG 3.22Å
104S72.5Confident80.5Confident42 Ų4236.2 Ų36.229%0.29420%0.196SC..THydrogen-bonded Turntrans53.97.1-176.753.60000117E64 V101 C102 V106 N107 S108E64-S104 PolarHBondContact OE1-OG 2.85Å; V101-S104 PolarHBondContact O-N 2.99Å; C102-S104 VanDerWaalsContact C-N 3.32Å; S104-V106 PolarHBondContact O-N 2.97Å; S104-N107 WeakPolarHBondContact O-CB 3.39Å; S104-N107 PolarHBondContact O-N 3.17Å; S104-S108 PolarHBondContact O-N 3.29Å; S104-S108 VanDerWaalsContact O-N 3.12Å; S104-S108 PolarHBondContact O-OG 3.11Å
105C70.3Confident80.2Confident1 Ų136 Ų361%0.00719%0.193CC..THydrogen-bonded Turntrans-57.3-26.3-179.9-70.60000114.3E64 L100 S103 S108 Q109 S110E64-C105 PolarHBondContact O-SG 3.44Å; L100-C105 HydrophobicContact CD2-CB 3.81Å; L100-C105 PolarHBondContact O-N 3.03Å; S103-C105 PolarHBondContact O-N 3.13Å; S103-C105 PolarHBondContact OG-SG 3.22Å; C105-S108 WeakPolarHBondContact CA-OG 3.49Å; C105-Q109 PolarHBondContact O-N 2.81Å; C105-S110 WeakPolarHBondContact O-CB 3.5Å; C105-S110 PolarHBondContact O-N 2.81Å; C105-S110 VanDerWaalsContact O-N 3.13Å; C105-S110 PolarHBondContact O-OG 2.9Å
106V62.1Low80.1Confident5 Ų536 Ų363%0.0319%0.193CC..THydrogen-bonded Turntrans-78.1-33.3176.4-166.10000111.2L100 V101 S104 Q109 M150 C154L100-V106 HydrophobicContact CB-CG2 3.88Å; V101-V106 HydrophobicContact CG2-CG2 4.38Å; S104-V106 PolarHBondContact O-N 2.97Å; V106-Q109 PolarHBondContact O-N 3.44Å; V106-M150 HydrophobicContact CG1-CE 4.24Å; V106-M150 HydrophobicContact CG2-CE 4.38Å; V106-C154 VanDerWaalsContact CB-SG 3.56Å; V106-C154 HydrophobicContact CG1-CB 3.95Å; V106-C154 WeakPolarHBondContact CG1-SG 3.46Å
107N67.4Low80Confident93 Ų9336.3 Ų36.350%0.49720%0.195SC..THydrogen-bonded Turntrans-71.4-37.5174.9-70.4-23.1000111.4S104 Q109 C154S104-N107 WeakPolarHBondContact O-CB 3.39Å; S104-N107 PolarHBondContact O-N 3.17Å; N107-Q109 PolarHBondContact O-N 2.83Å; N107-C154 PolarHBondContact OD1-SG 2.89Å
108S61Low79.8Confident54 Ų5439 Ų3938%0.37821%0.208SC..THydrogen-bonded Turntrans-81.32.2177.855.40000114.4E64 S104 C105 S110E64-S108 VanDerWaalsContact OE2-CB 3.28Å; E64-S108 WeakPolarHBondContact OE2-CB 3.47Å; E64-S108 PolarHBondContact OE2-OG 2.88Å; S104-S108 PolarHBondContact O-N 3.29Å; S104-S108 VanDerWaalsContact O-N 3.12Å; S104-S108 PolarHBondContact O-OG 3.11Å; C105-S108 WeakPolarHBondContact CA-OG 3.49Å; S108-S110 VanDerWaalsContact C-N 3.27Å; S108-S110 PolarHBondContact O-N 2.78Å
109Q67.5Low79.7Confident98 Ų9838.4 Ų38.446%0.45820%0.203SC..THydrogen-bonded Turntrans55.838.7177.3-39.2-167.7-21.300113.4C105 V106 N107 W218C105-Q109 PolarHBondContact O-N 2.81Å; V106-Q109 PolarHBondContact O-N 3.44Å; N107-Q109 PolarHBondContact O-N 2.83Å; Q109-W218 HydrophobicContact CB-CE3 4.27Å; Q109-W218 HydrophobicContact CB-CZ3 3.85Å; Q109-W218 VanDerWaalsContact CD-CZ3 3.47Å; Q109-W218 HydrophobicContact CG-CE3 3.98Å; Q109-W218 HydrophobicContact CG-CZ3 3.53Å
110S77.3Confident79.8Confident12 Ų1238.4 Ų38.48%0.08420%0.203CC..  trans-54.8152.6178.660.80000112.5C105 S108 A112 S113 L114C105-S110 WeakPolarHBondContact O-CB 3.5Å; C105-S110 PolarHBondContact O-N 2.81Å; C105-S110 VanDerWaalsContact O-N 3.13Å; C105-S110 PolarHBondContact O-OG 2.9Å; S108-S110 VanDerWaalsContact C-N 3.27Å; S108-S110 PolarHBondContact O-N 2.78Å; S110-A112 VanDerWaalsContact C-N 3.27Å; S110-A112 PolarHBondContact O-N 2.98Å; S110-S113 WeakPolarHBondContact O-CB 3.24Å; S110-S113 PolarHBondContact O-N 2.87Å; S110-S113 VanDerWaalsContact O-N 3.09Å; S110-S113 PolarHBondContact O-OG 2.83Å; S110-S113 WeakPolarHBondContact OG-CB 3.47Å; S110-S113 PolarHBondContact OG-N 3.3Å; S110-S113 PolarHBondContact OG-OG 3.3Å; S110-L114 PolarHBondContact O-N 3.35Å
111R81.3Confident79.7Confident186 Ų18638.9 Ų38.970%0.70221%0.205SC*.Hα-helixtrans-63.3-37180-177.3176.4177.9174.52.1111.3E68 S113 L114 D115E68-R111 PolarHBondContact OE1-N 2.75Å; E68-R111 VanDerWaalsContact OE1-N 3.11Å; R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.42Å; R111-L114 PolarHBondContact O-N 3.47Å; R111-D115 IonicContact NE-OD2 2.73Å; R111-D115 PolarHBondContact O-N 2.75Å
112A83.4Confident79.8Confident0 Ų044.2 Ų44.20%022%0.221CC..Hα-helixtrans-60.9-35.9175.200000112.9E68 A71 L72 L100 S110 L114 F116E68-A112 HydrophobicContact CG-CB 3.7Å; E68-A112 PolarHBondContact OE1-N 2.88Å; A71-A112 HydrophobicContact CB-CB 4.24Å; L72-A112 HydrophobicContact CD2-CB 3.83Å; L72-A112 HydrophobicContact CG-CB 3.9Å; L100-A112 HydrophobicContact CD2-CB 4.45Å; S110-A112 VanDerWaalsContact C-N 3.27Å; S110-A112 PolarHBondContact O-N 2.98Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.5Å; A112-F116 WeakPolarHBondContact O-CB 3.45Å; A112-F116 PolarHBondContact O-N 2.92Å
113S83.6Confident79.9Confident2 Ų242.1 Ų42.11%0.01421%0.205CC..Hα-helixtrans-65.2-37.8176.875.30000112.3S110 R111 L117S110-S113 WeakPolarHBondContact O-CB 3.24Å; S110-S113 PolarHBondContact O-N 2.87Å; S110-S113 VanDerWaalsContact O-N 3.09Å; S110-S113 PolarHBondContact O-OG 2.83Å; S110-S113 WeakPolarHBondContact OG-CB 3.47Å; S110-S113 PolarHBondContact OG-N 3.3Å; S110-S113 PolarHBondContact OG-OG 3.3Å; R111-S113 VanDerWaalsContact C-N 3.28Å; R111-S113 PolarHBondContact O-N 3.42Å; S113-L117 WeakPolarHBondContact O-CB 3.5Å; S113-L117 PolarHBondContact O-N 3.02Å
114L83.1Confident80.2Confident53 Ų5341.8 Ų41.828%0.27720%0.203SC..Hα-helixtrans-68.6-48.5175.7-66.1173.1000111.6S110 R111 A112 F116 L117 D118 W218S110-L114 PolarHBondContact O-N 3.35Å; R111-L114 PolarHBondContact O-N 3.47Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.5Å; L114-F116 VanDerWaalsContact C-N 3.26Å; L114-F116 PolarHBondContact O-N 2.76Å; L114-L117 WeakPolarHBondContact O-CB 3.33Å; L114-L117 PolarHBondContact O-N 2.91Å; L114-D118 PolarHBondContact O-N 3.36Å; L114-W218 HydrophobicContact CD2-CD2 4.08Å; L114-W218 VanDerWaalsContact CD2-CE2 3.42Å; L114-W218 HydrophobicContact CD2-CH2 4.15Å; L114-W218 HydrophobicContact CD2-CZ2 3.39Å
115D85.8Confident80.8Confident59 Ų5944 Ų4432%0.31621%0.208SC..Hα-helixtrans-63.3-35.5179.3-69.6-26.5000111.3M75 R111 L119M75-D115 HydrophobicContact CE-CB 3.68Å; M75-D115 HydrophobicContact SD-CB 4.49Å; R111-D115 IonicContact NE-OD2 2.73Å; R111-D115 PolarHBondContact O-N 2.75Å; D115-L119 WeakPolarHBondContact O-CB 3.43Å; D115-L119 PolarHBondContact O-N 2.87Å
116F89.4Confident81.3Confident0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-69.6-41.8174.1-175.8-120.2000112.4M75 L93 L96 T97 L100 A112 L114 D118 L119 L120 M150M75-F116 HydrophobicContact CG-CD2 4.4Å; M75-F116 HydrophobicContact SD-CB 4Å; L93-F116 HydrophobicContact CD2-CE2 3.84Å; L93-F116 HydrophobicContact CD2-CZ 4.34Å; L96-F116 HydrophobicContact CB-CD2 4.31Å; L96-F116 HydrophobicContact CB-CE1 4.3Å; L96-F116 HydrophobicContact CB-CE2 3.66Å; L96-F116 HydrophobicContact CB-CZ 3.64Å; L96-F116 HydrophobicContact CD1-CD2 3.95Å; L96-F116 HydrophobicContact CD1-CE2 3.51Å; L96-F116 HydrophobicContact CD1-CZ 4.34Å; L96-F116 HydrophobicContact CG-CE2 4.15Å; T97-F116 WeakPolarHBondContact OG1-CE1 3.24Å; L100-F116 HydrophobicContact CD1-CB 3.92Å; L100-F116 HydrophobicContact CD1-CD1 3.46Å; L100-F116 VanDerWaalsContact CD1-CD1 3.46Å; L100-F116 HydrophobicContact CD1-CE1 4.17Å; L100-F116 HydrophobicContact CD1-CG 3.84Å; A112-F116 WeakPolarHBondContact O-CB 3.45Å; A112-F116 PolarHBondContact O-N 2.92Å; L114-F116 VanDerWaalsContact C-N 3.26Å; L114-F116 PolarHBondContact O-N 2.76Å; F116-D118 VanDerWaalsContact C-N 3.34Å; F116-D118 PolarHBondContact O-N 2.87Å; F116-L119 HydrophobicContact CD2-CD2 4.33Å; F116-L119 WeakPolarHBondContact O-CB 3.43Å; F116-L119 PolarHBondContact O-N 3.48Å; F116-L119 VanDerWaalsContact O-N 3.15Å; F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.36Å; F116-L120 HydrophobicContact CD2-CG 4.45Å; F116-L120 HydrophobicContact CE1-CD1 3.51Å; F116-L120 HydrophobicContact CE1-CD2 4.41Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD1 4.47Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CE2-CG 4.09Å; F116-L120 HydrophobicContact CZ-CD1 3.81Å; F116-L120 HydrophobicContact CZ-CD2 3.83Å; F116-L120 HydrophobicContact CZ-CG 3.88Å; F116-L120 WeakPolarHBondContact O-CG 3.19Å; F116-L120 PolarHBondContact O-N 3.27Å; F116-M150 HydrophobicContact CD1-CE 4.29Å; F116-M150 HydrophobicContact CD1-SD 3.83Å; F116-M150 HydrophobicContact CE1-SD 3.93Å
117L87.8Confident81.5Confident7 Ų750.1 Ų50.14%0.03725%0.252CS..Hα-helixtrans-58.8-45.8174.7-176.364000111.5S113 L114 L119 L120 L121 L147 L157 L158 W218S113-L117 WeakPolarHBondContact O-CB 3.5Å; S113-L117 PolarHBondContact O-N 3.02Å; L114-L117 WeakPolarHBondContact O-CB 3.33Å; L114-L117 PolarHBondContact O-N 2.91Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.15Å; L117-L120 PolarHBondContact O-N 3.32Å; L117-L121 HydrophobicContact CG-CD1 4.37Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.74Å; L117-L147 HydrophobicContact CD1-CD2 3.53Å; L117-L157 HydrophobicContact CD1-CD2 4.12Å; L117-L157 HydrophobicContact CD2-CD1 4.05Å; L117-L157 HydrophobicContact CD2-CD2 4.45Å; L117-L157 HydrophobicContact CD2-CG 4.15Å; L117-L158 HydrophobicContact CD1-CD2 3.88Å; L117-W218 HydrophobicContact CD2-CZ2 4.29Å
118D87.1Confident81.2Confident64 Ų6449.6 Ų49.634%0.34226%0.255SS..Hα-helixtrans-65.3-34.1176-80.5-17.4000112.2L114 F116 R122L114-D118 PolarHBondContact O-N 3.36Å; F116-D118 VanDerWaalsContact C-N 3.34Å; F116-D118 PolarHBondContact O-N 2.87Å; D118-R122 WeakPolarHBondContact O-CB 3.19Å; D118-R122 VanDerWaalsContact O-CG 3.24Å; D118-R122 WeakPolarHBondContact O-CG 3.49Å; D118-R122 PolarHBondContact O-N 2.87Å; D118-R122 VanDerWaalsContact O-N 3.07Å; D118-R122 PolarHBondContact O-NE 2.92Å
119L89.3Confident81.1Confident17 Ų1749.1 Ų49.19%0.08925%0.248CC..Hα-helixtrans-64.5-47.5171.8-179.764.7000111.6F78 D115 F116 L117 R122 I123F78-L119 HydrophobicContact CD1-CD1 4.28Å; F78-L119 HydrophobicContact CD1-CD2 3.81Å; F78-L119 HydrophobicContact CE1-CD1 4Å; F78-L119 HydrophobicContact CE1-CD2 4.03Å; F78-L119 HydrophobicContact CE1-CG 4.3Å; F78-L119 HydrophobicContact CG-CD2 4.48Å; D115-L119 WeakPolarHBondContact O-CB 3.43Å; D115-L119 PolarHBondContact O-N 2.87Å; F116-L119 HydrophobicContact CD2-CD2 4.33Å; F116-L119 WeakPolarHBondContact O-CB 3.43Å; F116-L119 PolarHBondContact O-N 3.48Å; F116-L119 VanDerWaalsContact O-N 3.15Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.15Å; L119-R122 PolarHBondContact O-N 3.49Å; L119-I123 HydrophobicContact CD1-CD1 4.15Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.92Å; L119-I123 WeakPolarHBondContact O-CD1 3.3Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å
120L89.5Confident80.6Confident0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-62.1-43.6178.8-71.5178.5000112L93 F116 L117 I123 A124 A143 C146 L147 M150L93-L120 HydrophobicContact CD1-CD2 4.33Å; L93-L120 HydrophobicContact CD2-CD2 4.05Å; F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.36Å; F116-L120 HydrophobicContact CD2-CG 4.45Å; F116-L120 HydrophobicContact CE1-CD1 3.51Å; F116-L120 HydrophobicContact CE1-CD2 4.41Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD1 4.47Å; F116-L120 HydrophobicContact CE2-CD2 4.08Å; F116-L120 HydrophobicContact CE2-CG 4.09Å; F116-L120 HydrophobicContact CZ-CD1 3.81Å; F116-L120 HydrophobicContact CZ-CD2 3.83Å; F116-L120 HydrophobicContact CZ-CG 3.88Å; F116-L120 WeakPolarHBondContact O-CG 3.19Å; F116-L120 PolarHBondContact O-N 3.27Å; L117-L120 PolarHBondContact O-N 3.32Å; L120-I123 PolarHBondContact O-N 3.19Å; L120-A124 WeakPolarHBondContact O-CB 3.01Å; L120-A124 PolarHBondContact O-N 2.97Å; L120-A143 HydrophobicContact CD2-CB 3.89Å; L120-C146 HydrophobicContact CD1-CB 3.86Å; L120-C146 HydrophobicContact CD2-CB 3.92Å; L120-L147 HydrophobicContact CB-CD1 4.39Å; L120-L147 HydrophobicContact CB-CD2 3.69Å; L120-L147 HydrophobicContact CB-CG 3.91Å; L120-L147 HydrophobicContact CD1-CD2 3.8Å; L120-L147 HydrophobicContact CD1-CG 4.04Å; L120-L147 HydrophobicContact CG-CD2 4.43Å; L120-M150 HydrophobicContact CD1-SD 3.66Å
121L86.7Confident79.3Confident10 Ų1054 Ų545%0.05229%0.288CS..Hα-helixtrans-63.5-41.2176.6-73.1173.9000111.9L117 A124 Q125 L147 L158 L164L117-L121 HydrophobicContact CG-CD1 4.37Å; L117-L121 WeakPolarHBondContact O-CG 3.42Å; L117-L121 PolarHBondContact O-N 2.74Å; L121-A124 PolarHBondContact O-N 3.32Å; L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 VanDerWaalsContact O-CG 3.22Å; L121-Q125 WeakPolarHBondContact O-CG 3.26Å; L121-Q125 PolarHBondContact O-N 3.21Å; L121-L147 HydrophobicContact CD2-CD1 4.18Å; L121-L158 HydrophobicContact CD2-CD2 4.44Å; L121-L164 HydrophobicContact CD2-CD2 4.46Å
122R87.3Confident78Confident156 Ų15648.9 Ų48.959%0.58929%0.294SS*.Hα-helixtrans-61.6-44.5174.2-78.4-177.9-66.2155.8-5.4112.1D118 L119 Q125 D126D118-R122 WeakPolarHBondContact O-CB 3.19Å; D118-R122 VanDerWaalsContact O-CG 3.24Å; D118-R122 WeakPolarHBondContact O-CG 3.49Å; D118-R122 PolarHBondContact O-N 2.87Å; D118-R122 VanDerWaalsContact O-N 3.07Å; D118-R122 PolarHBondContact O-NE 2.92Å; L119-R122 PolarHBondContact O-N 3.49Å; R122-Q125 PolarHBondContact O-N 3.17Å; R122-D126 PolarHBondContact O-N 3.38Å; R122-D126 VanDerWaalsContact O-N 3.15Å
123I86.3Confident77Confident18 Ų1852.7 Ų52.79%0.09231%0.314CS..Hα-helixtrans-63-44.5177.1-66.1162000110.1F78 L93 L119 L120 Q125 D126 L139 R140 A143F78-I123 HydrophobicContact CE1-CD1 3.72Å; F78-I123 HydrophobicContact CZ-CD1 3.47Å; F78-I123 VanDerWaalsContact CZ-CD1 3.47Å; F78-I123 HydrophobicContact CZ-CG1 4.44Å; L93-I123 HydrophobicContact CD1-CD1 4.27Å; L93-I123 HydrophobicContact CD2-CD1 4.22Å; L119-I123 HydrophobicContact CD1-CD1 4.15Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.92Å; L119-I123 WeakPolarHBondContact O-CD1 3.3Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å; L120-I123 PolarHBondContact O-N 3.19Å; I123-Q125 VanDerWaalsContact C-N 3.3Å; I123-Q125 PolarHBondContact O-N 3.22Å; I123-D126 PolarHBondContact O-N 3.29Å; I123-L139 HydrophobicContact CG2-CD2 4.19Å; I123-L139 HydrophobicContact CG2-CG 3.95Å; I123-R140 HydrophobicContact CG2-CG 4.48Å; I123-R140 WeakPolarHBondContact O-CG 3.47Å; I123-A143 HydrophobicContact CB-CB 4.19Å; I123-A143 HydrophobicContact CG2-CB 3.77Å
124A85.3Confident76.1Confident0 Ų054.7 Ų54.70%034%0.335CS..Hα-helixtrans-62.3-35.8179.800000112.9L120 L121 R140 L147 F180L120-A124 WeakPolarHBondContact O-CB 3.01Å; L120-A124 PolarHBondContact O-N 2.97Å; L121-A124 PolarHBondContact O-N 3.32Å; A124-R140 PolarHBondContact O-NE 3.28Å; A124-R140 VanDerWaalsContact O-NE 3.11Å; A124-R140 PolarHBondContact O-NH2 3.37Å; A124-L147 HydrophobicContact CB-CD1 4.47Å; A124-F180 HydrophobicContact CB-CE1 4.17Å; A124-F180 HydrophobicContact CB-CZ 4.32Å
125Q84.7Confident75.5Confident88 Ų8854.2 Ų54.241%0.41133%0.334SS..Hα-helixtrans-80.4-15.8179-69.8169.229.800114.3L121 R122 I123 A127 L164 L168L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 VanDerWaalsContact O-CG 3.22Å; L121-Q125 WeakPolarHBondContact O-CG 3.26Å; L121-Q125 PolarHBondContact O-N 3.21Å; R122-Q125 PolarHBondContact O-N 3.17Å; I123-Q125 VanDerWaalsContact C-N 3.3Å; I123-Q125 PolarHBondContact O-N 3.22Å; Q125-A127 PolarHBondContact O-N 3.21Å; Q125-L164 HydrophobicContact CG-CD2 4.49Å; Q125-L168 HydrophobicContact CG-CD1 4.09Å; Q125-L168 HydrophobicContact CG-CD2 4.2Å
126D81.1Confident75Confident61 Ų6153.8 Ų53.833%0.32633%0.33SS..  trans-71.894-177.1-1728.3000111.2R122 I123 S128 Q136 R140R122-D126 PolarHBondContact O-N 3.38Å; R122-D126 VanDerWaalsContact O-N 3.15Å; I123-D126 PolarHBondContact O-N 3.29Å; D126-S128 PolarHBondContact O-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 2.92Å; D126-S128 PolarHBondContact OD1-OG 2.74Å; D126-Q136 PolarHBondContact OD2-NE2 3.06Å; D126-R140 VanDerWaalsContact O-CD 3.25Å; D126-R140 WeakPolarHBondContact O-CD 3.39Å; D126-R140 PolarHBondContact O-NE 3.45Å
127A65.8Low74.6Confident75 Ų7558.9 Ų58.962%0.6235%0.349SS*.  trans-84.310.1178.400000113.4Q125 D129Q125-A127 PolarHBondContact O-N 3.21Å; A127-D129 PolarHBondContact O-N 3.29Å
128S62.2Low74.3Confident81 Ų8162.5 Ų62.557%0.56637%0.368SS*.  trans-77.263.1-175.2-44.30000111.9D126 P130 Q136D126-S128 PolarHBondContact O-N 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.39Å; D126-S128 PolarHBondContact OD1-N 2.92Å; D126-S128 PolarHBondContact OD1-OG 2.74Å; S128-P130 VanDerWaalsContact O-CD 3.22Å; S128-P130 WeakPolarHBondContact O-CD 3.49Å; S128-Q136 PolarHBondContact O-OE1 3.22Å
129D58.1Low74.3Confident45 Ų4560.3 Ų60.324%0.24136%0.357CS..  trans-81.9114.3172.6-88.4-0.5000109.8A127 R137A127-D129 PolarHBondContact O-N 3.29Å; D129-R137 VanDerWaalsContact OD2-CG 3.32Å; D129-R137 WeakPolarHBondContact OD2-CG 3.13Å; D129-R137 IonicContact OD2-CZ 3.66Å; D129-R137 IonicContact OD2-NE 3.22Å; D129-R137 PolarHBondContact OD2-NE 2.82Å; D129-R137 IonicContact OD2-NH2 2.66Å; D129-R137 PolarHBondContact OD2-NH2 3.36Å
130P57Low74.3Confident72 Ų7259.9 Ų59.947%0.46835%0.354SS..  trans-63.9138.2161.727.1-31.6000109S128 G132S128-P130 VanDerWaalsContact O-CD 3.22Å; S128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-G132 PolarHBondContact O-N 3.48Å
131P50.4Low74.2Confident140 Ų14060.8 Ų60.891%0.90936%0.361SS*.THydrogen-bonded Turntrans-64.3106.7-175.425.3-32.9000110.6
132G55.3Low74.3Confident79 Ų7961.2 Ų61.281%0.81437%0.365SS*.THydrogen-bonded Turntrans129.8-14170.500000116.5P130P130-G132 PolarHBondContact O-N 3.48Å
133D61.7Low74.4Confident79 Ų7953.8 Ų53.842%0.42234%0.337SS..  trans-106.9103.5-177.6-159.9-2.8000111.5T135D133-T135 PolarHBondContact O-N 3.42Å; D133-T135 WeakPolarHBondContact OD1-CB 3.46Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.36Å; D133-T135 PolarHBondContact OD1-N 3.43Å; D133-T135 PolarHBondContact OD1-OG1 2.7Å; D133-T135 PolarHBondContact OD2-OG1 3.24Å; D133-T135 VanDerWaalsContact OD2-OG1 3.05Å
134G64.9Low74.6Confident44 Ų4453 Ų5345%0.45433%0.333SS..THydrogen-bonded Turntrans-74.52.3-179.200000114.6L138G134-L138 PolarHBondContact O-N 3Å
135T70.9Confident74.8Confident43 Ų4355.9 Ų55.926%0.26435%0.348SS..Hα-helixtrans-70.2-35.4-174.952.60000113.3D133 L138 L139D133-T135 PolarHBondContact O-N 3.42Å; D133-T135 WeakPolarHBondContact OD1-CB 3.46Å; D133-T135 WeakPolarHBondContact OD1-CG2 3.36Å; D133-T135 PolarHBondContact OD1-N 3.43Å; D133-T135 PolarHBondContact OD1-OG1 2.7Å; D133-T135 PolarHBondContact OD2-OG1 3.24Å; D133-T135 VanDerWaalsContact OD2-OG1 3.05Å; T135-L138 PolarHBondContact O-N 3.49Å; T135-L139 PolarHBondContact O-N 2.96Å
136Q75.3Confident75.2Confident51 Ų5151.9 Ų51.924%0.23833%0.33CS..Hα-helixtrans-72.9-32.7178.4-168.1148.8-6.800111.7D126 S128 L138 L139 R140D126-Q136 PolarHBondContact OD2-NE2 3.06Å; S128-Q136 PolarHBondContact O-OE1 3.22Å; Q136-L138 PolarHBondContact O-N 2.98Å; Q136-L139 PolarHBondContact O-N 3.48Å; Q136-R140 WeakPolarHBondContact O-CG 3.34Å; Q136-R140 PolarHBondContact O-N 2.79Å
137R79.2Confident75.6Confident107 Ų10749 Ų4940%0.40431%0.314SS..Hα-helixtrans-63.2-40.9172.4-62.7-179.4-168.41487.8112.9D129 L139 R140 A141 L176D129-R137 VanDerWaalsContact OD2-CG 3.32Å; D129-R137 WeakPolarHBondContact OD2-CG 3.13Å; D129-R137 IonicContact OD2-CZ 3.66Å; D129-R137 IonicContact OD2-NE 3.22Å; D129-R137 PolarHBondContact OD2-NE 2.82Å; D129-R137 IonicContact OD2-NH2 2.66Å; D129-R137 PolarHBondContact OD2-NH2 3.36Å; R137-L139 VanDerWaalsContact C-N 3.29Å; R137-L139 PolarHBondContact O-N 3.32Å; R137-R140 PolarHBondContact O-N 2.94Å; R137-A141 PolarHBondContact O-N 2.89Å; R137-L176 HydrophobicContact CB-CD1 4.1Å; R137-L176 HydrophobicContact CG-CD1 4.37Å; R137-L176 WeakPolarHBondContact O-CD2 3.42Å
138L83.3Confident76.8Confident83 Ų8348.9 Ų48.944%0.43530%0.298SS..Hα-helixtrans-59.9-44.1176.4-176.268.8000110.6G134 T135 Q136 R140 A141 T142G134-L138 PolarHBondContact O-N 3Å; T135-L138 PolarHBondContact O-N 3.49Å; Q136-L138 PolarHBondContact O-N 2.98Å; L138-R140 PolarHBondContact O-N 2.97Å; L138-A141 WeakPolarHBondContact O-CB 3.43Å; L138-A141 PolarHBondContact O-N 3.45Å; L138-T142 PolarHBondContact O-N 2.79Å; L138-T142 PolarHBondContact O-OG1 2.58Å; L138-T142 VanDerWaalsContact O-OG1 3.11Å
139L86.8Confident78Confident18 Ų1849.1 Ų49.19%0.09429%0.29CS..Hα-helixtrans-63.3-41.4178.3-170.868000112.1F78 R89 L93 I123 T135 Q136 R137 T142 A143F78-L139 HydrophobicContact CE2-CD1 4.29Å; F78-L139 HydrophobicContact CZ-CD1 4.44Å; F78-L139 HydrophobicContact CZ-CD2 4.42Å; R89-L139 HydrophobicContact CB-CD1 3.74Å; L93-L139 HydrophobicContact CD1-CD1 3.65Å; L93-L139 HydrophobicContact CD1-CG 4.39Å; L93-L139 HydrophobicContact CG-CD1 4.45Å; I123-L139 HydrophobicContact CG2-CD2 4.19Å; I123-L139 HydrophobicContact CG2-CG 3.95Å; T135-L139 PolarHBondContact O-N 2.96Å; Q136-L139 PolarHBondContact O-N 3.48Å; R137-L139 VanDerWaalsContact C-N 3.29Å; R137-L139 PolarHBondContact O-N 3.32Å; L139-T142 PolarHBondContact O-N 3.21Å; L139-A143 WeakPolarHBondContact O-CB 3.25Å; L139-A143 PolarHBondContact O-N 2.9Å
140R87.8Confident79.4Confident7 Ų747.1 Ų47.13%0.02628%0.279CS..Hα-helixtrans-63.3-41.1174-67.4178.673.5-150-6112.1I123 A124 D126 Q136 R137 L138 A143 C144 E172 L176I123-R140 HydrophobicContact CG2-CG 4.48Å; I123-R140 WeakPolarHBondContact O-CG 3.47Å; A124-R140 PolarHBondContact O-NE 3.28Å; A124-R140 VanDerWaalsContact O-NE 3.11Å; A124-R140 PolarHBondContact O-NH2 3.37Å; D126-R140 VanDerWaalsContact O-CD 3.25Å; D126-R140 WeakPolarHBondContact O-CD 3.39Å; D126-R140 PolarHBondContact O-NE 3.45Å; Q136-R140 WeakPolarHBondContact O-CG 3.34Å; Q136-R140 PolarHBondContact O-N 2.79Å; R137-R140 PolarHBondContact O-N 2.94Å; L138-R140 PolarHBondContact O-N 2.97Å; R140-A143 PolarHBondContact O-N 3.49Å; R140-C144 PolarHBondContact O-N 3.29Å; R140-C144 PolarHBondContact O-SG 2.9Å; R140-E172 IonicContact CZ-OE1 2.83Å; R140-E172 IonicContact NH1-OE1 2.92Å; R140-E172 PolarHBondContact NH1-OE1 2.83Å; R140-E172 IonicContact NH1-OE2 3.29Å; R140-E172 IonicContact NH2-OE1 3.7Å; R140-E172 PolarHBondContact NH2-OE1 3.06Å; R140-L176 HydrophobicContact CB-CD1 3.92Å
141A87.4Confident80.8Confident20 Ų2043.7 Ų43.717%0.16526%0.257CS..Hα-helixtrans-59.5-51.1174.900000111R137 L138 A143 C144 D145 L176R137-A141 PolarHBondContact O-N 2.89Å; L138-A141 WeakPolarHBondContact O-CB 3.43Å; L138-A141 PolarHBondContact O-N 3.45Å; A141-A143 VanDerWaalsContact C-N 3.3Å; A141-A143 PolarHBondContact O-N 2.7Å; A141-C144 WeakPolarHBondContact O-CB 3.33Å; A141-C144 PolarHBondContact O-N 3.07Å; A141-D145 PolarHBondContact O-N 3.08Å; A141-L176 HydrophobicContact CB-CD2 3.33Å
142T88.8Confident82.4Confident19 Ų1939.6 Ų39.612%0.11724%0.235CC..Hα-helixtrans-62.2-39.1179.2-55.60000111.5C90 L93 V94 L138 L139 C144 D145 C146C90-T142 HydrophobicContact CB-CG2 4.06Å; C90-T142 WeakPolarHBondContact O-CG2 3.5Å; L93-T142 HydrophobicContact CB-CG2 4.24Å; V94-T142 HydrophobicContact CG2-CG2 3.79Å; L138-T142 PolarHBondContact O-N 2.79Å; L138-T142 PolarHBondContact O-OG1 2.58Å; L138-T142 VanDerWaalsContact O-OG1 3.11Å; L139-T142 PolarHBondContact O-N 3.21Å; T142-C144 VanDerWaalsContact C-N 3.32Å; T142-C144 PolarHBondContact O-N 3.05Å; T142-D145 PolarHBondContact O-N 2.66Å; T142-C146 WeakPolarHBondContact O-CB 3.36Å; T142-C146 PolarHBondContact O-N 2.93Å; T142-C146 PolarHBondContact O-SG 2.98Å
143A91Very high83.6Confident0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-61.8-39.5174.100000112L93 L120 I123 L139 R140 A141 C146 L147L93-A143 HydrophobicContact CD1-CB 4.24Å; L120-A143 HydrophobicContact CD2-CB 3.89Å; I123-A143 HydrophobicContact CB-CB 4.19Å; I123-A143 HydrophobicContact CG2-CB 3.77Å; L139-A143 WeakPolarHBondContact O-CB 3.25Å; L139-A143 PolarHBondContact O-N 2.9Å; R140-A143 PolarHBondContact O-N 3.49Å; A141-A143 VanDerWaalsContact C-N 3.3Å; A141-A143 PolarHBondContact O-N 2.7Å; A143-C146 PolarHBondContact O-N 3.44Å; A143-L147 VanDerWaalsContact O-CG 3.32Å; A143-L147 WeakPolarHBondContact O-CG 3.47Å; A143-L147 PolarHBondContact O-N 3.46Å
144C90.1Very high84.3Confident2 Ų235.3 Ų35.31%0.01420%0.198CC..Hα-helixtrans-65.5-41.3174.6-63.70000112.5R140 A141 T142 C146 L147 R148 A179 F180R140-C144 PolarHBondContact O-N 3.29Å; R140-C144 PolarHBondContact O-SG 2.9Å; A141-C144 WeakPolarHBondContact O-CB 3.33Å; A141-C144 PolarHBondContact O-N 3.07Å; T142-C144 VanDerWaalsContact C-N 3.32Å; T142-C144 PolarHBondContact O-N 3.05Å; C144-C146 VanDerWaalsContact C-N 3.34Å; C144-L147 PolarHBondContact O-N 3.47Å; C144-R148 WeakPolarHBondContact O-CB 3.49Å; C144-R148 PolarHBondContact O-N 2.97Å; C144-A179 HydrophobicContact CB-CB 4.03Å; C144-F180 WeakPolarHBondContact SG-CE1 3.25Å; C144-F180 WeakPolarHBondContact SG-CZ 3.43Å
145D89.7Confident85Confident59 Ų5934.1 Ų34.132%0.31618%0.183SC..Hα-helixtrans-63.5-41.4174.6-70.6-42.8000110.8A141 T142 R148 E149A141-D145 PolarHBondContact O-N 3.08Å; T142-D145 PolarHBondContact O-N 2.66Å; D145-R148 WeakPolarHBondContact O-CB 3.32Å; D145-R148 PolarHBondContact O-N 2.93Å; D145-R148 VanDerWaalsContact O-N 3.14Å; D145-R148 IonicContact OD1-CZ 2.97Å; D145-R148 IonicContact OD1-NH1 3.24Å; D145-R148 PolarHBondContact OD1-NH1 3.25Å; D145-R148 IonicContact OD1-NH2 2.59Å; D145-R148 PolarHBondContact OD1-NH2 3.21Å; D145-E149 WeakPolarHBondContact O-CG 3.47Å; D145-E149 PolarHBondContact O-N 3.33Å
146C91.6Very high85.3Confident5 Ų532.8 Ų32.83%0.03418%0.178CC..Hα-helixtrans-61.7-45.1174.9-63.90000111.7T97 L120 T142 A143 C144 R148 E149 M150T97-C146 HydrophobicContact CG2-CB 4.38Å; T97-C146 VanDerWaalsContact OG1-CB 3.27Å; T97-C146 WeakPolarHBondContact OG1-CB 3.43Å; T97-C146 PolarHBondContact OG1-SG 3.32Å; L120-C146 HydrophobicContact CD1-CB 3.86Å; L120-C146 HydrophobicContact CD2-CB 3.92Å; T142-C146 WeakPolarHBondContact O-CB 3.36Å; T142-C146 PolarHBondContact O-N 2.93Å; T142-C146 PolarHBondContact O-SG 2.98Å; A143-C146 PolarHBondContact O-N 3.44Å; C144-C146 VanDerWaalsContact C-N 3.34Å; C146-R148 VanDerWaalsContact C-N 3.25Å; C146-R148 PolarHBondContact O-N 3.39Å; C146-E149 PolarHBondContact O-N 3.31Å; C146-M150 WeakPolarHBondContact O-CG 3.29Å; C146-M150 PolarHBondContact O-N 3.39Å
147L90.9Very high85.5Confident0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-59.1-37.5173.5-72.8172.5000111.9L117 L120 L121 A124 A143 C144 E151 L158 L183L117-L147 HydrophobicContact CD1-CD2 3.53Å; L120-L147 HydrophobicContact CB-CD1 4.39Å; L120-L147 HydrophobicContact CB-CD2 3.69Å; L120-L147 HydrophobicContact CB-CG 3.91Å; L120-L147 HydrophobicContact CD1-CD2 3.8Å; L120-L147 HydrophobicContact CD1-CG 4.04Å; L120-L147 HydrophobicContact CG-CD2 4.43Å; L121-L147 HydrophobicContact CD2-CD1 4.18Å; A124-L147 HydrophobicContact CB-CD1 4.47Å; A143-L147 VanDerWaalsContact O-CG 3.32Å; A143-L147 WeakPolarHBondContact O-CG 3.47Å; A143-L147 PolarHBondContact O-N 3.46Å; C144-L147 PolarHBondContact O-N 3.47Å; L147-E151 WeakPolarHBondContact O-CB 3.25Å; L147-E151 PolarHBondContact O-N 3.41Å; L147-L158 HydrophobicContact CB-CD1 4.2Å; L147-L158 HydrophobicContact CD2-CD1 4.31Å; L147-L158 HydrophobicContact CD2-CD2 4.43Å; L147-L183 HydrophobicContact CB-CD1 4.12Å; L147-L183 HydrophobicContact CB-CD2 3.8Å; L147-L183 HydrophobicContact CD1-CD2 4.04Å
148R89.6Confident85.7Confident72 Ų7226.6 Ų26.627%0.27215%0.154SC..Hα-helixtrans-66.1-45.2177-171.7-172.767.6-134.1-7.7111.5C144 D145 C146 E151 A152 L183 L186C144-R148 WeakPolarHBondContact O-CB 3.49Å; C144-R148 PolarHBondContact O-N 2.97Å; D145-R148 WeakPolarHBondContact O-CB 3.32Å; D145-R148 PolarHBondContact O-N 2.93Å; D145-R148 VanDerWaalsContact O-N 3.14Å; D145-R148 IonicContact OD1-CZ 2.97Å; D145-R148 IonicContact OD1-NH1 3.24Å; D145-R148 PolarHBondContact OD1-NH1 3.25Å; D145-R148 IonicContact OD1-NH2 2.59Å; D145-R148 PolarHBondContact OD1-NH2 3.21Å; C146-R148 VanDerWaalsContact C-N 3.25Å; C146-R148 PolarHBondContact O-N 3.39Å; R148-E151 PolarHBondContact O-N 3.36Å; R148-A152 WeakPolarHBondContact O-CB 3.47Å; R148-A152 PolarHBondContact O-N 3.08Å; R148-L183 HydrophobicContact CB-CD1 4.02Å; R148-L186 HydrophobicContact CG-CD2 3.6Å
149E88.6Confident85.6Confident87 Ų8723.9 Ų23.941%0.40714%0.142SC..Hα-helixtrans-66.3-37.9177.8-63.6-47.7134.400112T97 D145 C146 A152 S153T97-E149 HydrophobicContact CG2-CB 4.09Å; D145-E149 WeakPolarHBondContact O-CG 3.47Å; D145-E149 PolarHBondContact O-N 3.33Å; C146-E149 PolarHBondContact O-N 3.31Å; E149-A152 PolarHBondContact O-N 2.84Å; E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 2.95Å; E149-S153 PolarHBondContact O-OG 3.33Å
150M86.4Confident85.3Confident2 Ų226.5 Ų26.51%0.0115%0.154CC..Hα-helixtrans-62.9-44.9173.5-70.2-176.976.800111.9T97 V106 F116 L120 C146 S153 C154 L157T97-M150 HydrophobicContact CG2-CG 4.11Å; V106-M150 HydrophobicContact CG1-CE 4.24Å; V106-M150 HydrophobicContact CG2-CE 4.38Å; F116-M150 HydrophobicContact CD1-CE 4.29Å; F116-M150 HydrophobicContact CD1-SD 3.83Å; F116-M150 HydrophobicContact CE1-SD 3.93Å; L120-M150 HydrophobicContact CD1-SD 3.66Å; C146-M150 WeakPolarHBondContact O-CG 3.29Å; C146-M150 PolarHBondContact O-N 3.39Å; M150-S153 PolarHBondContact O-N 3.11Å; M150-C154 PolarHBondContact O-N 2.92Å; M150-L157 HydrophobicContact CB-CD2 3.78Å; M150-L157 HydrophobicContact CE-CD2 4.08Å
151E86.5Confident84.8Confident0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-67.8-33.4176.4178.965.6-145.700112.7L147 R148 C154 P155 G156 L157 L158 L186 V187 N190L147-E151 WeakPolarHBondContact O-CB 3.25Å; L147-E151 PolarHBondContact O-N 3.41Å; R148-E151 PolarHBondContact O-N 3.36Å; E151-C154 CarbonylContact O-C 3.56Å; E151-P155 WeakPolarHBondContact O-CA 3.39Å; E151-G156 PolarHBondContact OE1-N 3.01Å; E151-L157 PolarHBondContact OE2-N 3.22Å; E151-L158 HydrophobicContact CB-CD1 4.34Å; E151-L158 WeakPolarHBondContact OE2-CB 3.25Å; E151-L158 PolarHBondContact OE2-N 3.11Å; E151-L186 HydrophobicContact CB-CD2 4.2Å; E151-L186 HydrophobicContact CG-CD2 4.02Å; E151-L186 HydrophobicContact CG-CG 4.01Å; E151-V187 HydrophobicContact CG-CG2 3.77Å; E151-N190 PolarHBondContact O-ND2 3.19Å; E151-N190 WeakPolarHBondContact OE1-CB 3.32Å; E151-N190 PolarHBondContact OE1-ND2 3.2Å
152A83.9Confident84.6Confident54 Ų5427.8 Ų27.845%0.44616%0.155SC..Hα-helixtrans-68.6-36.7175.300000111.9R148 E149 L186R148-A152 WeakPolarHBondContact O-CB 3.47Å; R148-A152 PolarHBondContact O-N 3.08Å; E149-A152 PolarHBondContact O-N 2.84Å; A152-L186 HydrophobicContact CB-CD2 4.28Å
153S81.2Confident84.4Confident48 Ų4830.4 Ų30.434%0.33617%0.166SC..Hα-helixtrans-77.1-38.1179.1-53.70000112.1V101 E149 M150V101-S153 VanDerWaalsContact CG1-OG 3.25Å; V101-S153 WeakPolarHBondContact CG1-OG 3.49Å; E149-S153 WeakPolarHBondContact O-CB 3.2Å; E149-S153 PolarHBondContact O-N 2.95Å; E149-S153 PolarHBondContact O-OG 3.33Å; M150-S153 PolarHBondContact O-N 3.11Å
154C77.3Confident84.1Confident20 Ų2032.5 Ų32.514%0.13518%0.177CC..SBendtrans-127.485.3-179.5-57.60000110.5V106 N107 M150 E151 G156 L157V106-C154 VanDerWaalsContact CB-SG 3.56Å; V106-C154 HydrophobicContact CG1-CB 3.95Å; V106-C154 WeakPolarHBondContact CG1-SG 3.46Å; N107-C154 PolarHBondContact OD1-SG 2.89Å; M150-C154 PolarHBondContact O-N 2.92Å; E151-C154 CarbonylContact O-C 3.56Å; C154-G156 PolarHBondContact O-N 3.38Å; C154-L157 WeakPolarHBondContact O-CB 3.45Å; C154-L157 PolarHBondContact O-N 2.98Å
155P79.8Confident83.8Confident19 Ų1932.4 Ų32.412%0.12318%0.176CC..THydrogen-bonded Turntrans-61.1124.2-176.1-24.834.2000113.5E151 N190 Q194 L235E151-P155 WeakPolarHBondContact O-CA 3.39Å; P155-N190 HydrophobicContact CB-CB 4.02Å; P155-Q194 PolarHBondContact O-NE2 3.38Å; P155-L235 HydrophobicContact CG-CD1 4Å; P155-L235 HydrophobicContact CG-CD2 4.37Å
156G75.6Confident83.6Confident16 Ų1630.5 Ų30.517%0.16517%0.169CC..THydrogen-bonded Turntrans106.3-3.9178.100000114.8E151 C154 L158 S159E151-G156 PolarHBondContact OE1-N 3.01Å; C154-G156 PolarHBondContact O-N 3.38Å; G156-L158 VanDerWaalsContact C-N 3.32Å; G156-L158 PolarHBondContact O-N 2.71Å; G156-S159 VanDerWaalsContact O-CB 3.27Å; G156-S159 WeakPolarHBondContact O-CB 3.31Å; G156-S159 PolarHBondContact O-N 3.37Å; G156-S159 PolarHBondContact O-OG 3.34Å
157L80.3Confident83.2Confident26 Ų2631.4 Ų31.414%0.13618%0.179CC..THydrogen-bonded Turntrans-52.5-45.9179.6-178.867.6000113L117 M150 E151 C154 W218L117-L157 HydrophobicContact CD1-CD2 4.12Å; L117-L157 HydrophobicContact CD2-CD1 4.05Å; L117-L157 HydrophobicContact CD2-CD2 4.45Å; L117-L157 HydrophobicContact CD2-CG 4.15Å; M150-L157 HydrophobicContact CB-CD2 3.78Å; M150-L157 HydrophobicContact CE-CD2 4.08Å; E151-L157 PolarHBondContact OE2-N 3.22Å; C154-L157 WeakPolarHBondContact O-CB 3.45Å; C154-L157 PolarHBondContact O-N 2.98Å; L157-W218 HydrophobicContact CD1-CH2 3.17Å; L157-W218 HydrophobicContact CD1-CZ2 3.02Å; L157-W218 HydrophobicContact CD1-CZ3 4.21Å; L157-W218 HydrophobicContact CG-CZ2 4.42Å
158L82.3Confident82.9Confident2 Ų232.3 Ų32.31%0.0118%0.184CC..THydrogen-bonded Turntrans-1009.9-175.9-67.1172.2000113.3L117 L121 L147 E151 G156 Q160 R161 L183 V187L117-L158 HydrophobicContact CD1-CD2 3.88Å; L121-L158 HydrophobicContact CD2-CD2 4.44Å; L147-L158 HydrophobicContact CB-CD1 4.2Å; L147-L158 HydrophobicContact CD2-CD1 4.31Å; L147-L158 HydrophobicContact CD2-CD2 4.43Å; E151-L158 HydrophobicContact CB-CD1 4.34Å; E151-L158 WeakPolarHBondContact OE2-CB 3.25Å; E151-L158 PolarHBondContact OE2-N 3.11Å; G156-L158 VanDerWaalsContact C-N 3.32Å; G156-L158 PolarHBondContact O-N 2.71Å; L158-Q160 PolarHBondContact O-N 3.47Å; L158-Q160 VanDerWaalsContact O-N 3.12Å; L158-R161 PolarHBondContact O-N 3.41Å; L158-L183 HydrophobicContact CD1-CD1 3.99Å; L158-V187 VanDerWaalsContact C-CG1 3.42Å; L158-V187 HydrophobicContact CB-CB 4.4Å; L158-V187 HydrophobicContact CB-CG1 3.75Å; L158-V187 HydrophobicContact CB-CG2 3.63Å; L158-V187 HydrophobicContact CD1-CG2 3.91Å; L158-V187 HydrophobicContact CG-CG2 4.41Å; L158-V187 VanDerWaalsContact O-CG1 3.28Å; L158-V187 WeakPolarHBondContact O-CG1 3.04Å
159S81.8Confident82.7Confident25 Ų2529 Ų2918%0.17517%0.171CC..G310 helixtrans-54.8-34.9-173.657.80000113.9G156 R161G156-S159 VanDerWaalsContact O-CB 3.27Å; G156-S159 WeakPolarHBondContact O-CB 3.31Å; G156-S159 PolarHBondContact O-N 3.37Å; G156-S159 PolarHBondContact O-OG 3.34Å; S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 2.85Å
160Q80.1Confident82.6Confident73 Ų7331.2 Ų31.234%0.34118%0.181SC..G310 helixtrans-79.9-1.2177.9-60.5-179.8300114.3L158 A217L158-Q160 PolarHBondContact O-N 3.47Å; L158-Q160 VanDerWaalsContact O-N 3.12Å; Q160-A217 PolarHBondContact NE2-O 3.35Å; Q160-A217 PolarHBondContact OE1-O 3.01Å
161R78.7Confident82.4Confident47 Ų4737.7 Ų37.718%0.17722%0.215CC..G310 helixtrans-114.515.1-174.8-59.6-59.2-166-1792.6113.3L158 S159 E163 L164 L165 G214L158-R161 PolarHBondContact O-N 3.41Å; S159-R161 VanDerWaalsContact C-N 3.28Å; S159-R161 PolarHBondContact O-N 2.85Å; R161-E163 PolarHBondContact O-N 2.65Å; R161-L164 WeakPolarHBondContact O-CB 3.38Å; R161-L164 PolarHBondContact O-N 3.09Å; R161-L165 WeakPolarHBondContact O-CG 3.14Å; R161-L165 PolarHBondContact O-N 3.37Å; R161-G214 VanDerWaalsContact CZ-O 3.26Å; R161-G214 PolarHBondContact NH1-O 3.29Å
162L83Confident82.3Confident8 Ų839 Ų394%0.04222%0.221CC..Hα-helixtrans-61-39.8-177.1-78.4172.5000113.6L165 A166 Q184 V187 L188 A191 L209 L210L162-L165 PolarHBondContact O-N 2.98Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.41Å; L162-Q184 HydrophobicContact CD2-CG 4.41Å; L162-V187 HydrophobicContact CD2-CB 3.8Å; L162-V187 HydrophobicContact CD2-CG1 3.51Å; L162-V187 HydrophobicContact CG-CG1 3.9Å; L162-L188 HydrophobicContact CD1-CD1 4.13Å; L162-L188 HydrophobicContact CD2-CB 4.17Å; L162-A191 HydrophobicContact CD1-CB 4.36Å; L162-L209 HydrophobicContact CD1-CD2 3.4Å; L162-L209 VanDerWaalsContact CD1-CD2 3.4Å; L162-L210 HydrophobicContact CD1-CD2 4.3Å
163E83.4Confident82Confident73 Ų7343.5 Ų43.534%0.34124%0.243SC..Hα-helixtrans-63.6-42.1175.7-69-157.8143.700112R161 A166 G167 L210 G211 N213R161-E163 PolarHBondContact O-N 2.65Å; E163-A166 WeakPolarHBondContact O-CB 3.33Å; E163-A166 PolarHBondContact O-N 3.47Å; E163-G167 PolarHBondContact O-N 2.85Å; E163-L210 WeakPolarHBondContact CG-O 3.48Å; E163-G211 VanDerWaalsContact OE1-CA 3.24Å; E163-G211 WeakPolarHBondContact OE1-CA 3.49Å; E163-N213 PolarHBondContact OE2-ND2 3.07Å; E163-N213 PolarHBondContact OE2-OD1 3.41Å
164L84.6Confident82.1Confident44 Ų4442.7 Ų42.723%0.2324%0.238CC..Hα-helixtrans-62.4-45.4177.8-176.9138.1000111.2L121 Q125 R161 A166 G167 L168L121-L164 HydrophobicContact CD2-CD2 4.46Å; Q125-L164 HydrophobicContact CG-CD2 4.49Å; R161-L164 WeakPolarHBondContact O-CB 3.38Å; R161-L164 PolarHBondContact O-N 3.09Å; L164-A166 VanDerWaalsContact C-N 3.35Å; L164-G167 PolarHBondContact O-N 3.13Å; L164-L168 HydrophobicContact CD2-CD1 3.72Å; L164-L168 HydrophobicContact CD2-CG 4.36Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 3.32Å
165L85.3Confident82.2Confident0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-64.7-39.1176.4-66.8176.2000112R161 L162 L168 R169 L183 Q184 V187R161-L165 WeakPolarHBondContact O-CG 3.14Å; R161-L165 PolarHBondContact O-N 3.37Å; L162-L165 PolarHBondContact O-N 2.98Å; L165-L168 PolarHBondContact O-N 3.22Å; L165-R169 WeakPolarHBondContact O-CB 3.48Å; L165-R169 PolarHBondContact O-N 3.37Å; L165-L183 HydrophobicContact CD1-CD2 4.35Å; L165-L183 HydrophobicContact CD1-CG 4.19Å; L165-L183 HydrophobicContact CD2-CD2 3.81Å; L165-L183 HydrophobicContact CD2-CG 4.48Å; L165-Q184 HydrophobicContact CB-CB 4.4Å; L165-Q184 HydrophobicContact CB-CG 4.46Å; L165-V187 HydrophobicContact CD1-CB 4.44Å; L165-V187 HydrophobicContact CD1-CG2 3.97Å
166A83.9Confident82.4Confident20 Ų2052.4 Ų52.417%0.16527%0.27CS..Hα-helixtrans-62.6-43174.500000111.7L162 E163 L164 R169 Q170L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.41Å; E163-A166 WeakPolarHBondContact O-CB 3.33Å; E163-A166 PolarHBondContact O-N 3.47Å; L164-A166 VanDerWaalsContact C-N 3.35Å; A166-R169 PolarHBondContact O-N 2.96Å; A166-Q170 WeakPolarHBondContact O-CG 3.39Å; A166-Q170 PolarHBondContact O-N 3.27Å
167G84.5Confident82.9Confident24 Ų2452.5 Ų52.525%0.24727%0.266CS..Hα-helixtrans-63.6-44.4175.700000112.4E163 L164 R169 Q170 L171E163-G167 PolarHBondContact O-N 2.85Å; L164-G167 PolarHBondContact O-N 3.13Å; G167-R169 PolarHBondContact O-N 3.35Å; G167-Q170 PolarHBondContact O-N 3.31Å; G167-L171 WeakPolarHBondContact O-CB 3.28Å; G167-L171 VanDerWaalsContact O-CG 3.26Å; G167-L171 WeakPolarHBondContact O-CG 3.4Å; G167-L171 PolarHBondContact O-N 3.09Å
168L83.8Confident83.3Confident18 Ų1853.1 Ų53.19%0.09427%0.268CS..Hα-helixtrans-61.1-44.3175.2-70.7177.2000111.6Q125 L164 L165 Q170 L171 E172 F180Q125-L168 HydrophobicContact CG-CD1 4.09Å; Q125-L168 HydrophobicContact CG-CD2 4.2Å; L164-L168 HydrophobicContact CD2-CD1 3.72Å; L164-L168 HydrophobicContact CD2-CG 4.36Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 3.32Å; L165-L168 PolarHBondContact O-N 3.22Å; L168-Q170 VanDerWaalsContact C-N 3.31Å; L168-Q170 PolarHBondContact O-N 3.42Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-E172 WeakPolarHBondContact O-CB 3.26Å; L168-E172 VanDerWaalsContact O-CG 3.27Å; L168-E172 WeakPolarHBondContact O-CG 3.4Å; L168-E172 PolarHBondContact O-N 3.23Å; L168-E172 VanDerWaalsContact O-N 3.1Å; L168-F180 HydrophobicContact CB-CD1 4.19Å; L168-F180 HydrophobicContact CB-CE1 4.11Å; L168-F180 HydrophobicContact CB-CZ 4.4Å; L168-F180 HydrophobicContact CD1-CE1 3.86Å; L168-F180 HydrophobicContact CD1-CZ 4.37Å
169R86.8Confident83.5Confident4 Ų454 Ų542%0.01528%0.276CS..Hα-helixtrans-57.7-42.9175.1180-173.858.8123.74.7112.2L165 A166 G167 H177 F180 S264 E268L165-R169 WeakPolarHBondContact O-CB 3.48Å; L165-R169 PolarHBondContact O-N 3.37Å; A166-R169 PolarHBondContact O-N 2.96Å; G167-R169 PolarHBondContact O-N 3.35Å; R169-H177 VanDerWaalsContact CG-CE1 3.42Å; R169-H177 WeakPolarHBondContact CG-CE1 3.45Å; R169-H177 PolarHBondContact O-ND1 2.76Å; R169-F180 HydrophobicContact CB-CB 4.12Å; R169-S264 PolarHBondContact NH1-OG 3.21Å; R169-S264 PolarHBondContact NH2-OG 2.61Å; R169-E268 IonicContact CZ-OE1 3.2Å; R169-E268 IonicContact CZ-OE2 3.98Å; R169-E268 VanDerWaalsContact CZ-OE2 3.24Å; R169-E268 IonicContact NE-OE2 3.35Å; R169-E268 IonicContact NH1-OE1 2.76Å; R169-E268 PolarHBondContact NH1-OE1 2.92Å; R169-E268 IonicContact NH1-OE2 3.85Å; R169-E268 PolarHBondContact NH1-OE2 3.38Å; R169-E268 IonicContact NH2-OE1 2.74Å
170Q84.9Confident83.8Confident132 Ų13252.8 Ų52.862%0.61727%0.268SS*.Hα-helixtrans-72.4-32.6-178.5-73.9176.8-5.700113.5A166 G167 L168A166-Q170 WeakPolarHBondContact O-CG 3.39Å; A166-Q170 PolarHBondContact O-N 3.27Å; G167-Q170 PolarHBondContact O-N 3.31Å; L168-Q170 VanDerWaalsContact C-N 3.31Å; L168-Q170 PolarHBondContact O-N 3.42Å
171L83.4Confident84.2Confident138 Ų13849.3 Ų49.372%0.72325%0.252SS*.Hα-helixtrans-76.6-24.8177.5-70168.8000112.4G167 L168G167-L171 WeakPolarHBondContact O-CB 3.28Å; G167-L171 VanDerWaalsContact O-CG 3.26Å; G167-L171 WeakPolarHBondContact O-CG 3.4Å; G167-L171 PolarHBondContact O-N 3.09Å; L168-L171 PolarHBondContact O-N 3.41Å
172E83.3Confident84.6Confident28 Ų2848.1 Ų48.113%0.13125%0.25CC..  trans-77124.1-177.8-79.1-57.5139.900113.5R140 L168 S174 H177 F180R140-E172 IonicContact CZ-OE1 2.83Å; R140-E172 IonicContact NH1-OE1 2.92Å; R140-E172 PolarHBondContact NH1-OE1 2.83Å; R140-E172 IonicContact NH1-OE2 3.29Å; R140-E172 IonicContact NH2-OE1 3.7Å; R140-E172 PolarHBondContact NH2-OE1 3.06Å; L168-E172 WeakPolarHBondContact O-CB 3.26Å; L168-E172 VanDerWaalsContact O-CG 3.27Å; L168-E172 WeakPolarHBondContact O-CG 3.4Å; L168-E172 PolarHBondContact O-N 3.23Å; L168-E172 VanDerWaalsContact O-N 3.1Å; E172-S174 PolarHBondContact OE2-OG 3.31Å; E172-S174 VanDerWaalsContact OE2-OG 3.05Å; E172-H177 HydrophobicContact CB-CB 4.43Å; E172-F180 HydrophobicContact CG-CD2 3.82Å; E172-F180 HydrophobicContact CG-CE2 3.7Å
173T78.4Confident85Confident148 Ų14847.8 Ų47.891%0.90825%0.248SC*.  trans-102.7-3.3175.455.10000112.9
174S82.1Confident85.3Confident31 Ų3144.5 Ų44.522%0.21723%0.232CC..SBendtrans-98177-174.677.70000112.6E172 L176 H177E172-S174 PolarHBondContact OE2-OG 3.31Å; E172-S174 VanDerWaalsContact OE2-OG 3.05Å; S174-L176 PolarHBondContact O-N 3.28Å; S174-L176 WeakPolarHBondContact OG-CB 3.24Å; S174-L176 WeakPolarHBondContact OG-CG 3.2Å; S174-L176 PolarHBondContact OG-N 3.27Å; S174-H177 VanDerWaalsContact O-CB 3.23Å; S174-H177 WeakPolarHBondContact O-CB 3.4Å; S174-H177 PolarHBondContact O-N 3.02Å; S174-H177 VanDerWaalsContact O-N 3.1Å
175R80Confident85.6Confident229 Ų22942.4 Ų42.486%0.86422%0.221SC*.THydrogen-bonded Turntrans-60.4-16.5174.2-65-175.9-177.4178.40.4113.4H177 Q178R175-H177 PolarHBondContact O-N 2.88Å; R175-Q178 PolarHBondContact O-N 2.92Å; R175-Q178 VanDerWaalsContact O-N 3.15Å
176L83.3Confident85.7Confident14 Ų1443.2 Ų43.27%0.07323%0.225CC..Hα-helixtrans-61.7-23.1174.5-62.4179.9000113R137 R140 A141 S174 Q178 A179 F180R137-L176 HydrophobicContact CB-CD1 4.1Å; R137-L176 HydrophobicContact CG-CD1 4.37Å; R137-L176 WeakPolarHBondContact O-CD2 3.42Å; R140-L176 HydrophobicContact CB-CD1 3.92Å; A141-L176 HydrophobicContact CB-CD2 3.33Å; S174-L176 PolarHBondContact O-N 3.28Å; S174-L176 WeakPolarHBondContact OG-CB 3.24Å; S174-L176 WeakPolarHBondContact OG-CG 3.2Å; S174-L176 PolarHBondContact OG-N 3.27Å; L176-Q178 PolarHBondContact O-N 2.76Å; L176-Q178 VanDerWaalsContact O-N 3.09Å; L176-A179 PolarHBondContact O-N 2.9Å; L176-F180 HydrophobicContact CB-CD2 4.32Å; L176-F180 HydrophobicContact CB-CE2 4.19Å; L176-F180 VanDerWaalsContact O-CD2 3.31Å; L176-F180 WeakPolarHBondContact O-CD2 3.48Å; L176-F180 PolarHBondContact O-N 3.13Å; L176-F180 VanDerWaalsContact O-N 3.09Å
177H86.4Confident86Confident18 Ų1842.2 Ų42.28%0.08322%0.218CC..Hα-helixtrans-47.5-38171-179.785.7000112.3R169 E172 S174 R175 G181 E268R169-H177 VanDerWaalsContact CG-CE1 3.42Å; R169-H177 WeakPolarHBondContact CG-CE1 3.45Å; R169-H177 PolarHBondContact O-ND1 2.76Å; E172-H177 HydrophobicContact CB-CB 4.43Å; S174-H177 VanDerWaalsContact O-CB 3.23Å; S174-H177 WeakPolarHBondContact O-CB 3.4Å; S174-H177 PolarHBondContact O-N 3.02Å; S174-H177 VanDerWaalsContact O-N 3.1Å; R175-H177 PolarHBondContact O-N 2.88Å; H177-G181 PolarHBondContact O-N 2.86Å; H177-E268 IonicContact CE1-OE2 3.99Å; H177-E268 PolarHBondContact CE1-OE2 3.08Å; H177-E268 IonicContact NE2-OE2 3.94Å; H177-E268 PolarHBondContact NE2-OE2 3.5Å
178Q88.6Confident86.2Confident39 Ų3941.1 Ų41.118%0.18221%0.206CC..Hα-helixtrans-66.8-42.6179.1-61.1-174.48.100112.7R175 L176 G181 V182 L271 F272 T273R175-Q178 PolarHBondContact O-N 2.92Å; R175-Q178 VanDerWaalsContact O-N 3.15Å; L176-Q178 PolarHBondContact O-N 2.76Å; L176-Q178 VanDerWaalsContact O-N 3.09Å; Q178-G181 PolarHBondContact O-N 3.32Å; Q178-V182 WeakPolarHBondContact O-CG2 3.28Å; Q178-V182 PolarHBondContact O-N 3.37Å; Q178-L271 PolarHBondContact NE2-O 3.42Å; Q178-F272 HydrophobicContact CB-CD1 3.84Å; Q178-F272 HydrophobicContact CB-CE1 4.17Å; Q178-F272 HydrophobicContact CG-CD1 3.78Å; Q178-F272 HydrophobicContact CG-CE1 4.35Å; Q178-F272 HydrophobicContact CG-CG 4.33Å; Q178-T273 PolarHBondContact OE1-OG1 3.08Å
179A86.9Confident86.4Confident21 Ų2140.4 Ų40.417%0.17420%0.202CC..Hα-helixtrans-65.6-4317900000111.3C144 L176 V182 L183C144-A179 HydrophobicContact CB-CB 4.03Å; L176-A179 PolarHBondContact O-N 2.9Å; A179-V182 PolarHBondContact O-N 3.46Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 2.92Å
180F88.5Confident86.4Confident0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-64.7-39.8174.9-73.4-63.9000112.6A124 C144 L168 R169 E172 L176 L183 Q184A124-F180 HydrophobicContact CB-CE1 4.17Å; A124-F180 HydrophobicContact CB-CZ 4.32Å; C144-F180 WeakPolarHBondContact SG-CE1 3.25Å; C144-F180 WeakPolarHBondContact SG-CZ 3.43Å; L168-F180 HydrophobicContact CB-CD1 4.19Å; L168-F180 HydrophobicContact CB-CE1 4.11Å; L168-F180 HydrophobicContact CB-CZ 4.4Å; L168-F180 HydrophobicContact CD1-CE1 3.86Å; L168-F180 HydrophobicContact CD1-CZ 4.37Å; R169-F180 HydrophobicContact CB-CB 4.12Å; E172-F180 HydrophobicContact CG-CD2 3.82Å; E172-F180 HydrophobicContact CG-CE2 3.7Å; L176-F180 HydrophobicContact CB-CD2 4.32Å; L176-F180 HydrophobicContact CB-CE2 4.19Å; L176-F180 VanDerWaalsContact O-CD2 3.31Å; L176-F180 WeakPolarHBondContact O-CD2 3.48Å; L176-F180 PolarHBondContact O-N 3.13Å; L176-F180 VanDerWaalsContact O-N 3.09Å; F180-L183 PolarHBondContact O-N 2.75Å; F180-Q184 VanDerWaalsContact O-CB 3.27Å; F180-Q184 WeakPolarHBondContact O-CB 3.43Å; F180-Q184 PolarHBondContact O-N 2.78Å
181G88Confident86.4Confident0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-63.2-43.8176.400000113.1H177 Q178 Q184 I185H177-G181 PolarHBondContact O-N 2.86Å; Q178-G181 PolarHBondContact O-N 3.32Å; G181-Q184 PolarHBondContact O-N 3.31Å; G181-I185 WeakPolarHBondContact O-CG2 3.48Å; G181-I185 PolarHBondContact O-N 2.88Å; G181-I185 VanDerWaalsContact O-N 3.08Å
182V88.4Confident86.5Confident22 Ų2227.6 Ų27.613%0.13314%0.139CC..Hα-helixtrans-67.2-39.1176.9174.80000111.7Q178 A179 I185 L186 C276Q178-V182 WeakPolarHBondContact O-CG2 3.28Å; Q178-V182 PolarHBondContact O-N 3.37Å; A179-V182 PolarHBondContact O-N 3.46Å; V182-I185 WeakPolarHBondContact O-CG2 3.32Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 PolarHBondContact O-N 3.42Å; V182-L186 VanDerWaalsContact O-N 3.16Å; V182-C276 HydrophobicContact CG2-CB 4.05Å
183L90.4Very high86.5Confident0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-64.1-49.7173.9179.562000111L147 R148 L158 L165 A179 F180 I185 L186 V187L147-L183 HydrophobicContact CB-CD1 4.12Å; L147-L183 HydrophobicContact CB-CD2 3.8Å; L147-L183 HydrophobicContact CD1-CD2 4.04Å; R148-L183 HydrophobicContact CB-CD1 4.02Å; L158-L183 HydrophobicContact CD1-CD1 3.99Å; L165-L183 HydrophobicContact CD1-CD2 4.35Å; L165-L183 HydrophobicContact CD1-CG 4.19Å; L165-L183 HydrophobicContact CD2-CD2 3.81Å; L165-L183 HydrophobicContact CD2-CG 4.48Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 2.92Å; F180-L183 PolarHBondContact O-N 2.75Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 PolarHBondContact O-N 3.23Å; L183-L186 PolarHBondContact O-N 2.86Å; L183-V187 HydrophobicContact CD1-CG2 4.09Å; L183-V187 HydrophobicContact CG-CG2 4.37Å; L183-V187 VanDerWaalsContact O-CG2 3.28Å; L183-V187 WeakPolarHBondContact O-CG2 3.4Å; L183-V187 PolarHBondContact O-N 2.95Å
184Q90.4Very high86.6Confident4 Ų422.3 Ų22.32%0.01910%0.104CC..Hα-helixtrans-57.2-43.3-179.5-174.5-174.3-300111.9L162 L165 F180 G181 L188L162-Q184 HydrophobicContact CD2-CG 4.41Å; L165-Q184 HydrophobicContact CB-CB 4.4Å; L165-Q184 HydrophobicContact CB-CG 4.46Å; F180-Q184 VanDerWaalsContact O-CB 3.27Å; F180-Q184 WeakPolarHBondContact O-CB 3.43Å; F180-Q184 PolarHBondContact O-N 2.78Å; G181-Q184 PolarHBondContact O-N 3.31Å; Q184-L188 VanDerWaalsContact O-CB 3.26Å; Q184-L188 WeakPolarHBondContact O-CB 3.39Å; Q184-L188 PolarHBondContact O-N 2.89Å
185I89.8Confident86.5Confident1 Ų121.3 Ų21.31%0.00510%0.096CC..Hα-helixtrans-70.1-35.9179.3-173.556.2000112.6G181 V182 L183 L188 R189 L265 R283 L284G181-I185 WeakPolarHBondContact O-CG2 3.48Å; G181-I185 PolarHBondContact O-N 2.88Å; G181-I185 VanDerWaalsContact O-N 3.08Å; V182-I185 WeakPolarHBondContact O-CG2 3.32Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 PolarHBondContact O-N 3.23Å; I185-L188 HydrophobicContact CD1-CD2 4.12Å; I185-L188 PolarHBondContact O-N 3.18Å; I185-R189 VanDerWaalsContact O-CB 3.32Å; I185-R189 WeakPolarHBondContact O-CB 3.47Å; I185-R189 PolarHBondContact O-N 2.81Å; I185-L265 HydrophobicContact CD1-CD1 4.38Å; I185-R283 HydrophobicContact CD1-CB 4.43Å; I185-R283 HydrophobicContact CG1-CB 3.6Å; I185-R283 HydrophobicContact CG2-CB 4.47Å; I185-L284 HydrophobicContact CD1-CB 4.49Å; I185-L284 HydrophobicContact CD1-CD2 3.32Å; I185-L284 HydrophobicContact CD1-CG 3.62Å; I185-L284 HydrophobicContact CG1-CD2 4.29Å; I185-L284 HydrophobicContact CG1-CG 4.09Å
186L88.6Confident86.4Confident16 Ų1611.7 Ų11.78%0.0846%0.062CC..Hα-helixtrans-62.9-49.2175179.865.2000110.9R148 E151 A152 V182 L183 L188 R189 N190R148-L186 HydrophobicContact CG-CD2 3.6Å; E151-L186 HydrophobicContact CB-CD2 4.2Å; E151-L186 HydrophobicContact CG-CD2 4.02Å; E151-L186 HydrophobicContact CG-CG 4.01Å; A152-L186 HydrophobicContact CB-CD2 4.28Å; V182-L186 WeakPolarHBondContact O-CB 3.44Å; V182-L186 PolarHBondContact O-N 3.42Å; V182-L186 VanDerWaalsContact O-N 3.16Å; L183-L186 PolarHBondContact O-N 2.86Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 3.38Å; L186-R189 PolarHBondContact O-N 2.96Å; L186-N190 PolarHBondContact O-N 3.01Å
187V88.6Confident86.2Confident0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-60.6-43.5177.2179.50000110.5E151 L158 L162 L165 L183 R189 N190 A191E151-V187 HydrophobicContact CG-CG2 3.77Å; L158-V187 VanDerWaalsContact C-CG1 3.42Å; L158-V187 HydrophobicContact CB-CB 4.4Å; L158-V187 HydrophobicContact CB-CG1 3.75Å; L158-V187 HydrophobicContact CB-CG2 3.63Å; L158-V187 HydrophobicContact CD1-CG2 3.91Å; L158-V187 HydrophobicContact CG-CG2 4.41Å; L158-V187 VanDerWaalsContact O-CG1 3.28Å; L158-V187 WeakPolarHBondContact O-CG1 3.04Å; L162-V187 HydrophobicContact CD2-CB 3.8Å; L162-V187 HydrophobicContact CD2-CG1 3.51Å; L162-V187 HydrophobicContact CG-CG1 3.9Å; L165-V187 HydrophobicContact CD1-CB 4.44Å; L165-V187 HydrophobicContact CD1-CG2 3.97Å; L183-V187 HydrophobicContact CD1-CG2 4.09Å; L183-V187 HydrophobicContact CG-CG2 4.37Å; L183-V187 VanDerWaalsContact O-CG2 3.28Å; L183-V187 WeakPolarHBondContact O-CG2 3.4Å; L183-V187 PolarHBondContact O-N 2.95Å; V187-R189 PolarHBondContact O-N 2.84Å; V187-N190 PolarHBondContact O-N 3.23Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 3.39Å
188L89Confident85.8Confident1 Ų119.3 Ų19.31%0.00510%0.096CC..Hα-helixtrans-60.9-46177.9178.563.1000111.3L162 Q184 I185 L186 A191 V192 L210 L258 V261 L262 L265L162-L188 HydrophobicContact CD1-CD1 4.13Å; L162-L188 HydrophobicContact CD2-CB 4.17Å; Q184-L188 VanDerWaalsContact O-CB 3.26Å; Q184-L188 WeakPolarHBondContact O-CB 3.39Å; Q184-L188 PolarHBondContact O-N 2.89Å; I185-L188 HydrophobicContact CD1-CD2 4.12Å; I185-L188 PolarHBondContact O-N 3.18Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 3.38Å; L188-A191 PolarHBondContact O-N 3.19Å; L188-V192 HydrophobicContact CD1-CG2 4.3Å; L188-V192 WeakPolarHBondContact O-CB 3.24Å; L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.3Å; L188-V192 PolarHBondContact O-N 3.19Å; L188-L210 HydrophobicContact CD1-CD2 3.88Å; L188-L258 HydrophobicContact CD1-CD1 4.03Å; L188-L258 HydrophobicContact CD2-CD1 4.19Å; L188-V261 HydrophobicContact CD2-CG1 4.19Å; L188-L262 HydrophobicContact CD2-CD2 4.49Å; L188-L265 HydrophobicContact CD2-CD1 4.48Å
189R88.3Confident84.7Confident3 Ų323.9 Ų23.91%0.01113%0.129CC..Hα-helixtrans-59.8-49177.4178.9-82.7-169.4-170.5-2.5111.5I185 L186 V187 V192 Y193 L235 E286 V287 M290I185-R189 VanDerWaalsContact O-CB 3.32Å; I185-R189 WeakPolarHBondContact O-CB 3.47Å; I185-R189 PolarHBondContact O-N 2.81Å; L186-R189 PolarHBondContact O-N 2.96Å; V187-R189 PolarHBondContact O-N 2.84Å; R189-V192 PolarHBondContact O-N 3.11Å; R189-Y193 WeakPolarHBondContact O-CB 3.39Å; R189-Y193 PolarHBondContact O-N 3.47Å; R189-L235 VanDerWaalsContact NH1-CD2 3.35Å; R189-L235 PolarHBondContact NH2-O 3.03Å; R189-L235 VanDerWaalsContact NH2-O 3.1Å; R189-E286 HydrophobicContact CG-CB 4.22Å; R189-E286 WeakPolarHBondContact CG-OE2 3.45Å; R189-E286 IonicContact CZ-OE2 3.92Å; R189-E286 IonicContact NE-OE1 3.36Å; R189-E286 IonicContact NE-OE2 3.62Å; R189-E286 PolarHBondContact NE-OE2 3.15Å; R189-E286 IonicContact NH2-OE1 3.02Å; R189-E286 IonicContact NH2-OE2 3.66Å; R189-V287 HydrophobicContact CB-CG2 3.79Å; R189-V287 HydrophobicContact CG-CG2 4.25Å; R189-M290 HydrophobicContact CG-CE 4.03Å
190N87.3Confident83.7Confident3 Ų326.2 Ų26.22%0.01616%0.156CC..Hα-helixtrans-67-40.1-179.2-73.4-11.9000112.1E151 P155 L186 V187 Y193 Q194E151-N190 PolarHBondContact O-ND2 3.19Å; E151-N190 WeakPolarHBondContact OE1-CB 3.32Å; E151-N190 PolarHBondContact OE1-ND2 3.2Å; P155-N190 HydrophobicContact CB-CB 4.02Å; L186-N190 PolarHBondContact O-N 3.01Å; V187-N190 PolarHBondContact O-N 3.23Å; N190-Y193 PolarHBondContact O-N 3.47Å; N190-Q194 WeakPolarHBondContact O-CG 3.31Å; N190-Q194 PolarHBondContact O-N 3.08Å
191A84.8Confident82.9Confident1 Ų127 Ų271%0.00816%0.162CC..Hα-helixtrans-61.7-44.5175.400000112.2L162 V187 L188 Y193 Q194 L195 L209L162-A191 HydrophobicContact CD1-CB 4.36Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 3.39Å; L188-A191 PolarHBondContact O-N 3.19Å; A191-Y193 VanDerWaalsContact C-N 3.34Å; A191-Q194 PolarHBondContact O-N 2.71Å; A191-L195 WeakPolarHBondContact O-CG 3.3Å; A191-L195 PolarHBondContact O-N 3.36Å; A191-L195 VanDerWaalsContact O-N 3.08Å; A191-L209 HydrophobicContact CB-CD1 3.91Å; A191-L209 HydrophobicContact CB-CD2 3.67Å; A191-L209 HydrophobicContact CB-CG 4.37Å
192V84.8Confident82.2Confident0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-63.1-42174.61710000110.8L188 R189 L195 T196 L206 V287 M290 V291L188-V192 HydrophobicContact CD1-CG2 4.3Å; L188-V192 WeakPolarHBondContact O-CB 3.24Å; L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.3Å; L188-V192 PolarHBondContact O-N 3.19Å; R189-V192 PolarHBondContact O-N 3.11Å; V192-L195 PolarHBondContact O-N 2.97Å; V192-T196 WeakPolarHBondContact O-CG2 3.47Å; V192-T196 PolarHBondContact O-N 3.06Å; V192-T196 VanDerWaalsContact O-N 3.08Å; V192-L206 HydrophobicContact CG2-CD1 4.18Å; V192-V287 HydrophobicContact CG2-CG1 4.35Å; V192-M290 HydrophobicContact CG1-CB 3.9Å; V192-M290 HydrophobicContact CG1-CE 4.3Å; V192-M290 HydrophobicContact CG1-SD 4.25Å; V192-V291 HydrophobicContact CG1-CG2 3.68Å
193Y83.9Confident81.4Confident9 Ų928.3 Ų28.34%0.03518%0.176CC..Hα-helixtrans-63.1-40.1176.6-179.5-97.7000112.8R189 N190 A191 L195 T196 K197 L235 L238 P247 M290R189-Y193 WeakPolarHBondContact O-CB 3.39Å; R189-Y193 PolarHBondContact O-N 3.47Å; N190-Y193 PolarHBondContact O-N 3.47Å; A191-Y193 VanDerWaalsContact C-N 3.34Å; Y193-L195 VanDerWaalsContact C-N 3.33Å; Y193-L195 PolarHBondContact O-N 3.18Å; Y193-T196 PolarHBondContact O-N 2.76Å; Y193-T196 PolarHBondContact O-OG1 3.26Å; Y193-K197 HydrophobicContact CE1-CD 4.15Å; Y193-K197 VanDerWaalsContact CE1-CE 3.49Å; Y193-K197 PolarHBondContact O-N 3.38Å; Y193-K197 WeakPolarHBondContact OH-CE 3.38Å; Y193-L235 HydrophobicContact CD1-CD2 4.03Å; Y193-L235 HydrophobicContact CE1-CD2 3.72Å; Y193-L238 HydrophobicContact CD2-CD1 4.05Å; Y193-L238 HydrophobicContact CD2-CD2 4.4Å; Y193-L238 HydrophobicContact CE2-CD1 4.44Å; Y193-L238 HydrophobicContact CE2-CD2 3.96Å; Y193-P247 HydrophobicContact CD2-CG 4.01Å; Y193-P247 HydrophobicContact CE2-CG 3.83Å; Y193-M290 HydrophobicContact CD2-SD 3.93Å; Y193-M290 HydrophobicContact CG-SD 4.41Å
194Q80.4Confident80.6Confident57 Ų5731.8 Ų31.827%0.26621%0.205SC..Hα-helixtrans-65.1-38.9175-69.7-66.44.700111.8P155 N190 A191 T196 K197 Q198P155-Q194 PolarHBondContact O-NE2 3.38Å; N190-Q194 WeakPolarHBondContact O-CG 3.31Å; N190-Q194 PolarHBondContact O-N 3.08Å; A191-Q194 PolarHBondContact O-N 2.71Å; Q194-T196 VanDerWaalsContact C-N 3.28Å; Q194-T196 PolarHBondContact O-N 2.91Å; Q194-K197 PolarHBondContact O-N 2.94Å; Q194-K197 VanDerWaalsContact O-N 3.16Å; Q194-Q198 PolarHBondContact O-N 2.82Å
195L80.7Confident80Confident10 Ų1036.3 Ų36.35%0.05223%0.226CC..Hα-helixtrans-63.5-31.6174.6-71.6175.9000112.7A191 V192 Y193 K197 Q198 A201 H205 L206 L209 L249A191-L195 WeakPolarHBondContact O-CG 3.3Å; A191-L195 PolarHBondContact O-N 3.36Å; A191-L195 VanDerWaalsContact O-N 3.08Å; V192-L195 PolarHBondContact O-N 2.97Å; Y193-L195 VanDerWaalsContact C-N 3.33Å; Y193-L195 PolarHBondContact O-N 3.18Å; L195-K197 VanDerWaalsContact C-N 3.27Å; L195-K197 PolarHBondContact O-N 3.47Å; L195-Q198 PolarHBondContact O-N 3.36Å; L195-A201 HydrophobicContact CB-CB 4.43Å; L195-A201 HydrophobicContact CD2-CB 4.33Å; L195-A201 WeakPolarHBondContact O-CB 3.47Å; L195-H205 HydrophobicContact CD2-CB 4.19Å; L195-L206 HydrophobicContact CD1-CB 4.43Å; L195-L206 HydrophobicContact CD1-CD1 3.98Å; L195-L209 HydrophobicContact CD1-CD1 4Å; L195-L209 HydrophobicContact CD2-CD1 4.49Å; L195-L209 HydrophobicContact CG-CD1 4.22Å; L195-L249 HydrophobicContact CB-CD1 4.05Å; L195-L249 HydrophobicContact CB-CD2 4.44Å
196T78.1Confident79.4Confident26 Ų2636.5 Ų36.516%0.1623%0.227CC..Hα-helixtrans-71.2-22.9176.563.20000113V192 Y193 Q194 P247 L249 M290V192-T196 WeakPolarHBondContact O-CG2 3.47Å; V192-T196 PolarHBondContact O-N 3.06Å; V192-T196 VanDerWaalsContact O-N 3.08Å; Y193-T196 PolarHBondContact O-N 2.76Å; Y193-T196 PolarHBondContact O-OG1 3.26Å; Q194-T196 VanDerWaalsContact C-N 3.28Å; Q194-T196 PolarHBondContact O-N 2.91Å; T196-P247 HydrophobicContact CG2-CB 4.49Å; T196-P247 WeakPolarHBondContact OG1-CB 3.47Å; T196-L249 HydrophobicContact CG2-CB 3.89Å; T196-M290 HydrophobicContact CG2-CB 4.35Å
197K78.3Confident78.9Confident92 Ų9241.6 Ų41.640%0.425%0.249SC..Hα-helixtrans-79.4-23.2174.1-69.9-168.8168-1690113.1Y193 Q194 L195 D231Y193-K197 HydrophobicContact CE1-CD 4.15Å; Y193-K197 VanDerWaalsContact CE1-CE 3.49Å; Y193-K197 PolarHBondContact O-N 3.38Å; Y193-K197 WeakPolarHBondContact OH-CE 3.38Å; Q194-K197 PolarHBondContact O-N 2.94Å; Q194-K197 VanDerWaalsContact O-N 3.16Å; L195-K197 VanDerWaalsContact C-N 3.27Å; L195-K197 PolarHBondContact O-N 3.47Å; K197-D231 IonicContact NZ-OD2 3.24Å; K197-D231 PolarHBondContact NZ-OD2 3.44Å
198Q77.9Confident78.3Confident101 Ų10144.9 Ų44.947%0.47228%0.276SS..SBendtrans-80.5125-176.4-72.1-179.7-400112.7Q194 L195 G200 A201Q194-Q198 PolarHBondContact O-N 2.82Å; L195-Q198 PolarHBondContact O-N 3.36Å; Q198-G200 PolarHBondContact O-N 2.91Å; Q198-A201 HydrophobicContact CB-CB 4.04Å; Q198-A201 PolarHBondContact O-N 2.86Å
199P65.6Low77.7Confident134 Ų13446.2 Ų46.287%0.8728%0.283SS*.THydrogen-bonded Turntrans-68.5119.6178.327.8-32.9000110.9
200G65.3Low77.1Confident71 Ų7147 Ų4773%0.73229%0.287SS*.THydrogen-bonded Turntrans92.13.7178.800000115.4Q198Q198-G200 PolarHBondContact O-N 2.91Å
201A71.9Confident76.1Confident15 Ų1548.7 Ų48.712%0.12431%0.305CS..  trans-63.7140.817100000111.4L195 Q198 L249L195-A201 HydrophobicContact CB-CB 4.43Å; L195-A201 HydrophobicContact CD2-CB 4.33Å; L195-A201 WeakPolarHBondContact O-CB 3.47Å; Q198-A201 HydrophobicContact CB-CB 4.04Å; Q198-A201 PolarHBondContact O-N 2.86Å; A201-L249 HydrophobicContact CB-CD1 3.92Å
202G74.2Confident74.9Confident15 Ų1549.6 Ų49.616%0.15532%0.315CS..  trans-159.9-166.1-173.500000111.8A204 H205 L206G202-A204 VanDerWaalsContact C-N 3.27Å; G202-A204 PolarHBondContact O-N 3.22Å; G202-H205 PolarHBondContact O-N 2.94Å; G202-H205 VanDerWaalsContact O-N 3.11Å; G202-L206 PolarHBondContact O-N 3.41Å; G202-L206 VanDerWaalsContact O-N 3.13Å
203A71.6Confident73.3Confident35 Ų3554.7 Ų54.729%0.28934%0.342SS..Hα-helixtrans-59-33-172.200000114.2K207A203-K207 WeakPolarHBondContact O-CB 3.38Å; A203-K207 PolarHBondContact O-N 3.02Å
204A73.8Confident71.3Confident74 Ų7456 Ų5661%0.61236%0.359SS*.Hα-helixtrans-68.3-38.8177.800000112.9G202 K207 A208G202-A204 VanDerWaalsContact C-N 3.27Å; G202-A204 PolarHBondContact O-N 3.22Å; A204-K207 WeakPolarHBondContact O-CB 3.5Å; A204-K207 PolarHBondContact O-N 2.58Å; A204-A208 PolarHBondContact O-N 3.47Å
205H76.3Confident69.2Low99 Ų9958 Ų5846%0.45838%0.379SS..Hα-helixtrans-69.6-40.2176.6-63.799.6000111.1L195 G202 K207 A208 L209L195-H205 HydrophobicContact CD2-CB 4.19Å; G202-H205 PolarHBondContact O-N 2.94Å; G202-H205 VanDerWaalsContact O-N 3.11Å; H205-K207 VanDerWaalsContact C-N 3.32Å; H205-K207 PolarHBondContact O-N 2.98Å; H205-A208 PolarHBondContact O-N 2.87Å; H205-L209 WeakPolarHBondContact O-CB 3.27Å; H205-L209 PolarHBondContact O-N 2.92Å
206L77.6Confident67.3Low5 Ų560.6 Ų60.63%0.02640%0.395CS..Hα-helixtrans-59.9-42.9171.8-173.675.1000111.5V192 L195 G202 L209 L210 L249 T251 L258V192-L206 HydrophobicContact CG2-CD1 4.18Å; L195-L206 HydrophobicContact CD1-CB 4.43Å; L195-L206 HydrophobicContact CD1-CD1 3.98Å; G202-L206 PolarHBondContact O-N 3.41Å; G202-L206 VanDerWaalsContact O-N 3.13Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-L210 HydrophobicContact CG-CD1 4.2Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.11Å; L206-L210 PolarHBondContact O-N 3.1Å; L206-L249 HydrophobicContact CD1-CD2 4.38Å; L206-T251 HydrophobicContact CD2-CG2 4.37Å; L206-L258 HydrophobicContact CD1-CD2 4.49Å; L206-L258 HydrophobicContact CD2-CB 4.13Å; L206-L258 HydrophobicContact CD2-CD2 3.9Å
207K77.8Confident65.2Low123 Ų12361.8 Ų61.854%0.53541%0.407SS..Hα-helixtrans-61.7-46.5176.3-158.8-163.7-177.2-173.10112A203 A204 H205 L209 L210 G211 E257A203-K207 WeakPolarHBondContact O-CB 3.38Å; A203-K207 PolarHBondContact O-N 3.02Å; A204-K207 WeakPolarHBondContact O-CB 3.5Å; A204-K207 PolarHBondContact O-N 2.58Å; H205-K207 VanDerWaalsContact C-N 3.32Å; H205-K207 PolarHBondContact O-N 2.98Å; K207-L209 VanDerWaalsContact C-N 3.29Å; K207-L209 PolarHBondContact O-N 3.4Å; K207-L210 PolarHBondContact O-N 2.96Å; K207-G211 PolarHBondContact O-N 2.62Å; K207-E257 WeakPolarHBondContact CE-OE1 3.46Å; K207-E257 VanDerWaalsContact CG-CD 3.47Å; K207-E257 WeakPolarHBondContact CG-OE1 3.46Å; K207-E257 WeakPolarHBondContact CG-OE2 3.32Å; K207-E257 IonicContact NZ-OE1 3.27Å
208A76.6Confident63.5Low68 Ų6861 Ų6156%0.56240%0.402SS*.Hα-helixtrans-62.9-37178.100000112A204 H205 G211 G212A204-A208 PolarHBondContact O-N 3.47Å; H205-A208 PolarHBondContact O-N 2.87Å; A208-G211 PolarHBondContact O-N 3.44Å; A208-G212 WeakPolarHBondContact O-CA 3.47Å; A208-G212 PolarHBondContact O-N 3.46Å
209L77.3Confident61.5Low30 Ų3065 Ų6516%0.15742%0.421CS..Hα-helixtrans-70.5-39.6178.2-172.6142.2000112.4L162 A191 L195 H205 L206 K207 G211L162-L209 HydrophobicContact CD1-CD2 3.4Å; L162-L209 VanDerWaalsContact CD1-CD2 3.4Å; A191-L209 HydrophobicContact CB-CD1 3.91Å; A191-L209 HydrophobicContact CB-CD2 3.67Å; A191-L209 HydrophobicContact CB-CG 4.37Å; L195-L209 HydrophobicContact CD1-CD1 4Å; L195-L209 HydrophobicContact CD2-CD1 4.49Å; L195-L209 HydrophobicContact CG-CD1 4.22Å; H205-L209 WeakPolarHBondContact O-CB 3.27Å; H205-L209 PolarHBondContact O-N 2.92Å; L206-L209 PolarHBondContact O-N 3.5Å; K207-L209 VanDerWaalsContact C-N 3.29Å; K207-L209 PolarHBondContact O-N 3.4Å; L209-G211 VanDerWaalsContact C-N 3.31Å
210L75.7Confident60.1Low18 Ų1862.4 Ų62.49%0.09441%0.411CS..Hα-helixtrans-73.7-23.3174.8-67.3173.5000113.1L162 E163 L188 L206 K207 E257 L258L162-L210 HydrophobicContact CD1-CD2 4.3Å; E163-L210 WeakPolarHBondContact CG-O 3.48Å; L188-L210 HydrophobicContact CD1-CD2 3.88Å; L206-L210 HydrophobicContact CG-CD1 4.2Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.11Å; L206-L210 PolarHBondContact O-N 3.1Å; K207-L210 PolarHBondContact O-N 2.96Å; L210-E257 HydrophobicContact CD1-CB 4Å; L210-L258 HydrophobicContact CD1-CB 3.9Å; L210-L258 HydrophobicContact CD1-CD1 4.45Å
211G65.8Low58.7Low39 Ų3965.7 Ų65.740%0.40241%0.411SS..THydrogen-bonded Turntrans-101.10.1-177.400000115.9E163 K207 A208 L209E163-G211 VanDerWaalsContact OE1-CA 3.24Å; E163-G211 WeakPolarHBondContact OE1-CA 3.49Å; K207-G211 PolarHBondContact O-N 2.62Å; A208-G211 PolarHBondContact O-N 3.44Å; L209-G211 VanDerWaalsContact C-N 3.31Å
212G60.3Low57.1Low21 Ų2174.4 Ų74.422%0.21645%0.449CS..  trans-82.1118.5-169.800000112.9A208A208-G212 WeakPolarHBondContact O-CA 3.47Å; A208-G212 PolarHBondContact O-N 3.46Å
213N50.3Low55.1Low107 Ų10782.3 Ų82.357%0.57248%0.482SS*.  trans-106.821.3167-79.8-42.2000112.9E163 S215E163-N213 PolarHBondContact OE2-ND2 3.07Å; E163-N213 PolarHBondContact OE2-OD1 3.41Å; N213-S215 PolarHBondContact O-N 3.12Å
214G41.8Very low53.4Low37 Ų3784.2 Ų84.238%0.38150%0.498SS..  trans-56.8134.7-175.500000112.8R161R161-G214 VanDerWaalsContact CZ-O 3.26Å; R161-G214 PolarHBondContact NH1-O 3.29Å
215S37.3Very low51.6Low99 Ų9985 Ų8569%0.69250%0.495SS*.  trans-60.2138.2161.252.10000109.2N213 A217N213-S215 PolarHBondContact O-N 3.12Å; S215-A217 PolarHBondContact O-N 2.91Å
216V39.6Very low49.6Very low64 Ų6489.3 Ų89.339%0.38852%0.515SS..  trans-23.993.9177.3-172.80000112.4W218V216-W218 VanDerWaalsContact CG1-CD1 3.49Å
217A33.4Very low47.8Very low50 Ų5093.5 Ų93.541%0.41354%0.536SS..  trans-123.387.5164.700000105.4Q160 S215 E219Q160-A217 PolarHBondContact NE2-O 3.35Å; Q160-A217 PolarHBondContact OE1-O 3.01Å; S215-A217 PolarHBondContact O-N 2.91Å; A217-E219 PolarHBondContact O-N 3.19Å
218W42.5Very low45.9Very low77 Ų7793.3 Ų93.329%0.29254%0.54SS..  trans-69.170.2166.8-76.846.9000108.4Q109 L114 L117 L157 V216Q109-W218 HydrophobicContact CB-CE3 4.27Å; Q109-W218 HydrophobicContact CB-CZ3 3.85Å; Q109-W218 VanDerWaalsContact CD-CZ3 3.47Å; Q109-W218 HydrophobicContact CG-CE3 3.98Å; Q109-W218 HydrophobicContact CG-CZ3 3.53Å; L114-W218 HydrophobicContact CD2-CD2 4.08Å; L114-W218 VanDerWaalsContact CD2-CE2 3.42Å; L114-W218 HydrophobicContact CD2-CH2 4.15Å; L114-W218 HydrophobicContact CD2-CZ2 3.39Å; L117-W218 HydrophobicContact CD2-CZ2 4.29Å; L157-W218 HydrophobicContact CD1-CH2 3.17Å; L157-W218 HydrophobicContact CD1-CZ2 3.02Å; L157-W218 HydrophobicContact CD1-CZ3 4.21Å; L157-W218 HydrophobicContact CG-CZ2 4.42Å; V216-W218 VanDerWaalsContact CG1-CD1 3.49Å
219E37Very low44.3Very low184 Ų18496.5 Ų96.586%0.8655%0.553SS**  trans-10974.6165.1-73.8-175.2174.500107A217A217-E219 PolarHBondContact O-N 3.19Å
220A36.7Very low42.7Very low80 Ų80103.2 Ų103.266%0.66158%0.581SS**SBendtrans-109.8123.3154.100000105.8
221D34.7Very low41.3Very low140 Ų140104.5 Ų104.575%0.74959%0.588SS**  trans-39.9138.1-175.9-85.1-43.8000113.5E223D221-E223 PolarHBondContact O-N 2.97Å
222Q38.5Very low40.2Very low197 Ų197105.4 Ų105.492%0.92159%0.592SS**THydrogen-bonded Turntrans-58.11.4173.9-71.5174.3-12.400114.1
223E32.5Very low39.4Very low181 Ų181107.6 Ų107.685%0.84661%0.608SS**THydrogen-bonded Turntrans-93.8-3.9-171.9-63.2-166.3161.900114.9D221D221-E223 PolarHBondContact O-N 2.97Å
224A35Very low39.3Very low76 Ų76107 Ų10763%0.62860%0.603SS**SBendtrans-102.55.7-173.200000116.7
225V37.5Very low39.7Very low91 Ų91106.5 Ų106.555%0.55259%0.592SS**  trans-103.123.5-166.5-162.70000114.6M227V225-M227 PolarHBondContact O-N 2.94Å
226H34.3Very low40.2Very low189 Ų189107.9 Ų107.988%0.87559%0.59SS**  trans-93.586.8157.2-86.1-52000109.5D228H226-D228 PolarHBondContact O-N 3.5Å
227M39.4Very low40.8Very low93 Ų93106.6 Ų106.646%0.45858%0.584SS.*  trans-77.2103.7169.3-71.5-70.3-12300108.8V225 D231 L235V225-M227 PolarHBondContact O-N 2.94Å; M227-D231 HydrophobicContact SD-CB 4.33Å; M227-L235 HydrophobicContact CE-CD1 3.81Å
228D37.9Very low41.9Very low118 Ų118105.2 Ų105.263%0.63157%0.57SS**  trans-61.2141.8166-87.2-21.3000109.4H226 K230 D231H226-D228 PolarHBondContact O-N 3.5Å; D228-K230 PolarHBondContact O-N 3.34Å; D228-D231 PolarHBondContact O-N 2.99Å
229T42.2Very low42.2Very low136 Ų136103 Ų10383%0.83456%0.563SS**Hα-helixtrans-53.8-15.6176.934.30000114.4
230K45Very low42.6Very low170 Ų170100.1 Ų100.174%0.73955%0.553SS**Hα-helixtrans-75.4-30173.4-73.4-178.9176.61760113.5D228 M234D228-K230 PolarHBondContact O-N 3.34Å; K230-M234 PolarHBondContact O-N 3.12Å
231D44.5Very low43Very low45 Ų4598.2 Ų98.224%0.24154%0.541CS..Hα-helixtrans-74.7-30.3-179-84.714.4000111.9K197 M227 D228 A233 M234 L235K197-D231 IonicContact NZ-OD2 3.24Å; K197-D231 PolarHBondContact NZ-OD2 3.44Å; M227-D231 HydrophobicContact SD-CB 4.33Å; D228-D231 PolarHBondContact O-N 2.99Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.49Å; D231-M234 PolarHBondContact O-N 3.46Å; D231-L235 WeakPolarHBondContact O-CG 3.38Å; D231-L235 PolarHBondContact O-N 2.87Å; D231-L235 VanDerWaalsContact O-N 3.12Å
232A44.5Very low43Very low58 Ų5897.7 Ų97.748%0.47955%0.545SS..Hα-helixtrans-62.6-37.317500000112.6L235A232-L235 PolarHBondContact O-N 2.86Å
233A42.2Very low42.9Very low67 Ų6797.5 Ų97.555%0.55455%0.547SS*.Hα-helixtrans-71.3-35.4175.200000112.4D231 L235 L236D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.49Å; A233-L235 VanDerWaalsContact C-N 3.28Å; A233-L235 PolarHBondContact O-N 2.86Å; A233-L236 PolarHBondContact O-N 2.98Å
234M48.8Very low43.5Very low94 Ų9490.6 Ų90.646%0.46352%0.524SS..Hα-helixtrans-68.3-24.5174.9-84.3-162.5149.100113.6K230 D231 L238K230-M234 PolarHBondContact O-N 3.12Å; D231-M234 PolarHBondContact O-N 3.46Å; M234-L238 WeakPolarHBondContact O-CD2 3.19Å
235L49.1Very low44.4Very low28 Ų2898.5 Ų98.515%0.14754%0.538CS..Hα-helixtrans-77-23.1179.3-74.4168.2000113.7P155 R189 Y193 M227 D231 A232 A233P155-L235 HydrophobicContact CG-CD1 4Å; P155-L235 HydrophobicContact CG-CD2 4.37Å; R189-L235 VanDerWaalsContact NH1-CD2 3.35Å; R189-L235 PolarHBondContact NH2-O 3.03Å; R189-L235 VanDerWaalsContact NH2-O 3.1Å; Y193-L235 HydrophobicContact CD1-CD2 4.03Å; Y193-L235 HydrophobicContact CE1-CD2 3.72Å; M227-L235 HydrophobicContact CE-CD1 3.81Å; D231-L235 WeakPolarHBondContact O-CG 3.38Å; D231-L235 PolarHBondContact O-N 2.87Å; D231-L235 VanDerWaalsContact O-N 3.12Å; A232-L235 PolarHBondContact O-N 2.86Å; A233-L235 VanDerWaalsContact C-N 3.28Å; A233-L235 PolarHBondContact O-N 2.86Å
236L48.2Very low45.8Very low128 Ų12896.3 Ų96.367%0.6752%0.524SS*.Hα-helixtrans-70.8-41.6-178.1-73.9165.4000112.2A233A233-L236 PolarHBondContact O-N 2.98Å
237S53.7Low47.7Very low36 Ų3689.2 Ų89.225%0.25250%0.495SS..  trans-157.2113.8170.1-80.70000111.2I239 H282S237-I239 PolarHBondContact O-N 3.27Å; S237-H282 PolarHBondContact OG-CE1 3.5Å; S237-H282 PolarHBondContact OG-NE2 3.31Å
238L55.2Low49.5Very low21 Ų2188 Ų8811%0.1149%0.493CS..THydrogen-bonded Turntrans-70.9-16.6177.8-72.7165000113.3Y193 M234 E286 M290Y193-L238 HydrophobicContact CD2-CD1 4.05Å; Y193-L238 HydrophobicContact CD2-CD2 4.4Å; Y193-L238 HydrophobicContact CE2-CD1 4.44Å; Y193-L238 HydrophobicContact CE2-CD2 3.96Å; M234-L238 WeakPolarHBondContact O-CD2 3.19Å; L238-E286 HydrophobicContact CB-CG 4.37Å; L238-E286 HydrophobicContact CD1-CB 4.42Å; L238-E286 PolarHBondContact N-OE1 3.27Å; L238-M290 HydrophobicContact CD1-CE 3.94Å; L238-M290 HydrophobicContact CD1-SD 3.91Å
239I49.9Very low51.4Low31 Ų3182.5 Ų82.516%0.15946%0.464CS..THydrogen-bonded Turntrans-98.3-15.5-170.4-59.3165.2000112.4S237 T285 E286 L320S237-I239 PolarHBondContact O-N 3.27Å; I239-T285 HydrophobicContact CD1-CG2 3.48Å; I239-T285 VanDerWaalsContact CD1-CG2 3.48Å; I239-E286 HydrophobicContact CD1-CB 4.5Å; I239-E286 HydrophobicContact CD1-CG 3.68Å; I239-E286 HydrophobicContact CG1-CG 4.12Å; I239-L320 HydrophobicContact CB-CD1 4.12Å; I239-L320 HydrophobicContact CG2-CD1 3.51Å; I239-L320 HydrophobicContact CG2-CG 4.08Å
240L45.6Very low52.8Low124 Ų12483.6 Ų83.665%0.64946%0.459SS*.SBendtrans-99.14.9-173.2-89.4131.7000114.8L320L240-L320 HydrophobicContact CD1-CD1 4.25Å; L240-L320 HydrophobicContact CG-CD1 4.45Å
241G45.1Very low53.6Low39 Ų3976.1 Ų76.140%0.40243%0.427SS..SBendtrans-85.3152.7172.900000112.5M243G241-M243 PolarHBondContact O-N 2.74Å
242P33.6Very low54.4Low130 Ų13076 Ų7684%0.84444%0.437SS*.THydrogen-bonded Turntrans-60.996.7178.825.5-33.7000109.9G244P242-G244 PolarHBondContact O-N 2.9Å
243M37.5Very low55.2Low192 Ų19278.1 Ų78.195%0.94645%0.446SS*.THydrogen-bonded Turntrans34.744.3179-73.3-75.1-80.100113.2G241 R245G241-M243 PolarHBondContact O-N 2.74Å; M243-R245 PolarHBondContact O-N 3.14Å
244G43.7Very low56.2Low36 Ų3680.5 Ų80.537%0.37145%0.449SS..  trans-67.7129.2176.300000107.3P242 V246P242-G244 PolarHBondContact O-N 2.9Å; G244-V246 PolarHBondContact O-N 3.2Å
245R55Low57.3Low242 Ų24276.2 Ų76.291%0.91343%0.429SS*.  trans-50.6105.6173.3-88.7-179.7169.6176.1-3108.9M243M243-R245 PolarHBondContact O-N 3.14Å
246V66.4Low58.7Low45 Ų4581.9 Ų81.927%0.27345%0.452SS..  trans-59.9127.6168.3179.70000106.4G244 T248 A289 M290G244-V246 PolarHBondContact O-N 3.2Å; V246-T248 PolarHBondContact O-N 2.88Å; V246-A289 HydrophobicContact CG1-CB 4.19Å; V246-M290 HydrophobicContact CG1-CG 3.8Å
247P73.2Confident60.2Low41 Ų4179.4 Ų79.427%0.26644%0.437SS..  trans-64.4129.117827.4-33.9000108.6Y193 T196 M290Y193-P247 HydrophobicContact CD2-CG 4.01Å; Y193-P247 HydrophobicContact CE2-CG 3.83Å; T196-P247 HydrophobicContact CG2-CB 4.49Å; T196-P247 WeakPolarHBondContact OG1-CB 3.47Å; P247-M290 WeakPolarHBondContact O-CG 3.46Å
248T78.9Confident61.7Low66 Ų6677.8 Ų77.841%0.40543%0.425SS..  trans-111.1135.5-173.550.70000111.2V246 M290V246-T248 PolarHBondContact O-N 2.88Å; T248-M290 CarbonylContact C-O 3.57Å; T248-M290 WeakPolarHBondContact CA-O 3.44Å
249L76.7Confident63.1Low4 Ų480.7 Ų80.72%0.02144%0.435CS..  trans-89.4118.3173.4-167.367.4000108.5L195 T196 A201 L206 T251 M290 V291 P292L195-L249 HydrophobicContact CB-CD1 4.05Å; L195-L249 HydrophobicContact CB-CD2 4.44Å; T196-L249 HydrophobicContact CG2-CB 3.89Å; A201-L249 HydrophobicContact CB-CD1 3.92Å; L206-L249 HydrophobicContact CD1-CD2 4.38Å; L249-T251 HydrophobicContact CB-CG2 4.39Å; L249-T251 HydrophobicContact CD2-CG2 3.56Å; L249-T251 HydrophobicContact CG-CG2 3.77Å; L249-T251 PolarHBondContact O-N 2.89Å; L249-M290 PolarHBondContact N-O 3.37Å; L249-V291 HydrophobicContact CB-CG2 4.48Å; L249-P292 WeakPolarHBondContact O-CD 3.36Å
250H71.3Confident64.8Low158 Ų15883.1 Ų83.173%0.73146%0.455SS*.  trans-74.873.4176-65-58.4000111.1
251T62Low66.7Low13 Ų1378.9 Ų78.98%0.0843%0.434CS..  trans-89.7131.3167.159.10000109L206 L249 C255 V291L206-T251 HydrophobicContact CD2-CG2 4.37Å; L249-T251 HydrophobicContact CB-CG2 4.39Å; L249-T251 HydrophobicContact CD2-CG2 3.56Å; L249-T251 HydrophobicContact CG-CG2 3.77Å; L249-T251 PolarHBondContact O-N 2.89Å; T251-C255 VanDerWaalsContact CB-SG 3.53Å; T251-C255 PolarHBondContact OG1-SG 3.36Å; T251-V291 HydrophobicContact CG2-CG1 4.31Å; T251-V291 WeakPolarHBondContact OG1-CG1 3.25Å
252G61.5Low68.7Low43 Ų4377.1 Ų77.144%0.44342%0.415SS..  trans-60.3-176.516300000112.1D254G252-D254 PolarHBondContact O-N 3.27Å
253P61.6Low71.4Confident102 Ų10273.4 Ų73.466%0.66239%0.393SS*.SBendtrans-63.9-11.7-177.326.3-35000114.7C255 R259P253-C255 PolarHBondContact O-N 3.4Å; P253-R259 PolarHBondContact O-NH2 2.97Å
254D63.2Low73.9Confident117 Ų11765.3 Ų65.363%0.62636%0.355SS*.  trans-82.673.4-178.2-76.4-36.2000113G252G252-D254 PolarHBondContact O-N 3.27Å
255C72.2Confident76Confident5 Ų563.6 Ų63.63%0.03434%0.337CS..  trans-118.647.4171.4-66.40000111.9T251 P253 E257 R259 I294T251-C255 VanDerWaalsContact CB-SG 3.53Å; T251-C255 PolarHBondContact OG1-SG 3.36Å; P253-C255 PolarHBondContact O-N 3.4Å; C255-E257 PolarHBondContact O-N 3.24Å; C255-R259 WeakPolarHBondContact O-CB 3.43Å; C255-R259 WeakPolarHBondContact O-CG 3.33Å; C255-R259 PolarHBondContact O-N 2.79Å; C255-R259 PolarHBondContact O-NE 2.99Å; C255-I294 HydrophobicContact CB-CD1 4.15Å; C255-I294 HydrophobicContact CB-CG1 3.99Å
256K78.9Confident77.6Confident147 Ų14752.4 Ų52.464%0.63930%0.295SS*.Hα-helixtrans-62.8-40.4-175.3-68.4-177.4-176.3175.50113R259 S260K256-R259 PolarHBondContact O-N 3.42Å; K256-S260 PolarHBondContact O-N 3.13Å
257E79.6Confident78.6Confident76 Ų7656.4 Ų56.436%0.35531%0.311SS..Hα-helixtrans-69.6-47.5-178.2-70.3173.5-167.900111.8K207 L210 C255 R259 S260 V261K207-E257 WeakPolarHBondContact CE-OE1 3.46Å; K207-E257 VanDerWaalsContact CG-CD 3.47Å; K207-E257 WeakPolarHBondContact CG-OE1 3.46Å; K207-E257 WeakPolarHBondContact CG-OE2 3.32Å; K207-E257 IonicContact NZ-OE1 3.27Å; L210-E257 HydrophobicContact CD1-CB 4Å; C255-E257 PolarHBondContact O-N 3.24Å; E257-R259 VanDerWaalsContact C-N 3.31Å; E257-R259 PolarHBondContact O-N 3.3Å; E257-S260 WeakPolarHBondContact O-CB 3.43Å; E257-S260 PolarHBondContact O-N 3.34Å; E257-V261 WeakPolarHBondContact O-CG2 3.37Å; E257-V261 PolarHBondContact O-N 3.5Å
258L83.5Confident79.3Confident1 Ų156.2 Ų56.21%0.00531%0.307CS..Hα-helixtrans-59.8-42.8174.4-176.758.4000110.9L188 L206 L210 S260 V261 L262 V291 I294L188-L258 HydrophobicContact CD1-CD1 4.03Å; L188-L258 HydrophobicContact CD2-CD1 4.19Å; L206-L258 HydrophobicContact CD1-CD2 4.49Å; L206-L258 HydrophobicContact CD2-CB 4.13Å; L206-L258 HydrophobicContact CD2-CD2 3.9Å; L210-L258 HydrophobicContact CD1-CB 3.9Å; L210-L258 HydrophobicContact CD1-CD1 4.45Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.01Å; L258-V261 PolarHBondContact O-N 3.46Å; L258-L262 HydrophobicContact CD1-CD1 4.48Å; L258-L262 HydrophobicContact CD1-CG 4.21Å; L258-L262 HydrophobicContact CG-CD1 4.11Å; L258-L262 HydrophobicContact CG-CG 4.31Å; L258-L262 WeakPolarHBondContact O-CB 3.26Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.45Å; L258-L262 PolarHBondContact O-N 3.37Å; L258-V291 HydrophobicContact CD2-CB 4.42Å; L258-V291 HydrophobicContact CD2-CG1 4.21Å; L258-V291 HydrophobicContact CD2-CG2 4.14Å; L258-I294 HydrophobicContact CB-CD1 3.93Å; L258-I294 HydrophobicContact CD2-CD1 3.43Å; L258-I294 VanDerWaalsContact CD2-CD1 3.43Å; L258-I294 HydrophobicContact CG-CD1 3.5Å; L258-I294 VanDerWaalsContact CG-CD1 3.5Å
259R84.9Confident79.7Confident83 Ų8353.1 Ų53.131%0.31329%0.287SS..Hα-helixtrans-57.4-42.3173.3-78.6-173.6-98.1125.4-10.5112.2P253 C255 K256 E257 L262 S263 I294P253-R259 PolarHBondContact O-NH2 2.97Å; C255-R259 WeakPolarHBondContact O-CB 3.43Å; C255-R259 WeakPolarHBondContact O-CG 3.33Å; C255-R259 PolarHBondContact O-N 2.79Å; C255-R259 PolarHBondContact O-NE 2.99Å; K256-R259 PolarHBondContact O-N 3.42Å; E257-R259 VanDerWaalsContact C-N 3.31Å; E257-R259 PolarHBondContact O-N 3.3Å; R259-L262 PolarHBondContact O-N 2.9Å; R259-S263 WeakPolarHBondContact O-CB 3.37Å; R259-S263 PolarHBondContact O-N 3.2Å; R259-S263 PolarHBondContact O-OG 3.27Å; R259-S263 VanDerWaalsContact O-OG 3.13Å; R259-I294 HydrophobicContact CG-CD1 3.89Å; R259-I294 HydrophobicContact CG-CG1 3.98Å; R259-I294 HydrophobicContact CG-CG2 4.21Å
260S86.9Confident80Confident82 Ų8259.6 Ų59.657%0.57331%0.313SS*.Hα-helixtrans-62.9-43.1176.4-169.50000112.5K256 E257 L258 S263 S264K256-S260 PolarHBondContact O-N 3.13Å; E257-S260 WeakPolarHBondContact O-CB 3.43Å; E257-S260 PolarHBondContact O-N 3.34Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 3.01Å; S260-S263 PolarHBondContact O-N 3.25Å; S260-S264 PolarHBondContact O-N 3.44Å
261V85.6Confident80.7Confident35 Ų3556.2 Ų56.221%0.21230%0.299CS..Hα-helixtrans-65.4-45.8178174.70000110.8L188 E257 L258 S264 L265L188-V261 HydrophobicContact CD2-CG1 4.19Å; E257-V261 WeakPolarHBondContact O-CG2 3.37Å; E257-V261 PolarHBondContact O-N 3.5Å; L258-V261 PolarHBondContact O-N 3.46Å; V261-S264 PolarHBondContact O-N 3.37Å; V261-L265 HydrophobicContact CG1-CD1 4.07Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 3.49Å
262L87.4Confident82Confident2 Ų256.2 Ų56.21%0.0130%0.298CS..Hα-helixtrans-60.7-45.8176-65173.9000111.2L188 L258 R259 S264 L265 L266 L284 V287 V288 I294L188-L262 HydrophobicContact CD2-CD2 4.49Å; L258-L262 HydrophobicContact CD1-CD1 4.48Å; L258-L262 HydrophobicContact CD1-CG 4.21Å; L258-L262 HydrophobicContact CG-CD1 4.11Å; L258-L262 HydrophobicContact CG-CG 4.31Å; L258-L262 WeakPolarHBondContact O-CB 3.26Å; L258-L262 VanDerWaalsContact O-CG 3.23Å; L258-L262 WeakPolarHBondContact O-CG 3.45Å; L258-L262 PolarHBondContact O-N 3.37Å; R259-L262 PolarHBondContact O-N 2.9Å; L262-S264 PolarHBondContact O-N 3.16Å; L262-L265 PolarHBondContact O-N 3.03Å; L262-L266 WeakPolarHBondContact O-CB 3.21Å; L262-L266 WeakPolarHBondContact O-CG 3.31Å; L262-L266 PolarHBondContact O-N 3.04Å; L262-L284 HydrophobicContact CD2-CD2 3.26Å; L262-V287 HydrophobicContact CD2-CG1 4.36Å; L262-V288 HydrophobicContact CD1-CG2 4.18Å; L262-I294 HydrophobicContact CD1-CD1 3.64Å; L262-I294 HydrophobicContact CD1-CG2 4.15Å
263S88.9Confident83.4Confident52 Ų5257 Ų5736%0.36430%0.295SS..Hα-helixtrans-58.6-45.7176.3-74.20000112R259 S260 L266 E267R259-S263 WeakPolarHBondContact O-CB 3.37Å; R259-S263 PolarHBondContact O-N 3.2Å; R259-S263 PolarHBondContact O-OG 3.27Å; R259-S263 VanDerWaalsContact O-OG 3.13Å; S260-S263 PolarHBondContact O-N 3.25Å; S263-L266 PolarHBondContact O-N 2.9Å; S263-E267 WeakPolarHBondContact O-CB 3.46Å; S263-E267 VanDerWaalsContact O-CG 3.3Å; S263-E267 WeakPolarHBondContact O-CG 3.44Å; S263-E267 PolarHBondContact O-N 3.01Å
264S89.4Confident84.7Confident22 Ų2254.5 Ų54.515%0.15428%0.278CS..Hα-helixtrans-62.7-42.8177168.80000112.8R169 S260 V261 L262 E267 E268R169-S264 PolarHBondContact NH1-OG 3.21Å; R169-S264 PolarHBondContact NH2-OG 2.61Å; S260-S264 PolarHBondContact O-N 3.44Å; V261-S264 PolarHBondContact O-N 3.37Å; L262-S264 PolarHBondContact O-N 3.16Å; S264-E267 PolarHBondContact O-N 2.85Å; S264-E268 WeakPolarHBondContact O-CG 3.37Å; S264-E268 PolarHBondContact O-N 2.8Å; S264-E268 VanDerWaalsContact O-N 3.1Å; S264-E268 PolarHBondContact OG-OE1 2.95Å
265L88.6Confident86Confident0 Ų054.7 Ų54.70%028%0.279CS..Hα-helixtrans-66.1-38.2177.1-73.6167.6000112I185 L188 V261 L262 S269 L280 L284I185-L265 HydrophobicContact CD1-CD1 4.38Å; L188-L265 HydrophobicContact CD2-CD1 4.48Å; V261-L265 HydrophobicContact CG1-CD1 4.07Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 3.49Å; L262-L265 PolarHBondContact O-N 3.03Å; L265-S269 PolarHBondContact O-N 2.87Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L265-L280 HydrophobicContact CD2-CD1 4.44Å; L265-L284 HydrophobicContact CD1-CD2 4.38Å
266L89.4Confident86.8Confident7 Ų755.9 Ų55.94%0.03729%0.287CS..Hα-helixtrans-71-39.5177.5-72.6170000112.2L262 S263 S269 F281 L284 V298 F299 Q302L262-L266 WeakPolarHBondContact O-CB 3.21Å; L262-L266 WeakPolarHBondContact O-CG 3.31Å; L262-L266 PolarHBondContact O-N 3.04Å; S263-L266 PolarHBondContact O-N 2.9Å; L266-S269 VanDerWaalsContact O-CB 3.24Å; L266-S269 WeakPolarHBondContact O-CB 3.46Å; L266-S269 PolarHBondContact O-N 2.91Å; L266-S269 PolarHBondContact O-OG 3.34Å; L266-F281 HydrophobicContact CD2-CD1 4.16Å; L266-F281 HydrophobicContact CD2-CE1 3.53Å; L266-F281 HydrophobicContact CD2-CZ 4.47Å; L266-L284 HydrophobicContact CD2-CD1 3.8Å; L266-L284 HydrophobicContact CG-CD1 4.24Å; L266-V298 HydrophobicContact CD1-CG1 3.46Å; L266-V298 VanDerWaalsContact CD1-CG1 3.46Å; L266-F299 HydrophobicContact CD1-CD1 4.2Å; L266-F299 HydrophobicContact CD1-CE1 4.35Å; L266-F299 HydrophobicContact CD2-CD1 3.79Å; L266-F299 HydrophobicContact CD2-CE1 3.91Å; L266-Q302 HydrophobicContact CB-CG 4.2Å; L266-Q302 HydrophobicContact CD2-CG 4.03Å; L266-Q302 PolarHBondContact O-NE2 2.86Å
267E87.8Confident87.4Confident129 Ų12949.8 Ų49.860%0.60326%0.261SS*.Hα-helixtrans-59.9-47.1173.9-79175-165.600110.4S263 S264 S269 Y270S263-E267 WeakPolarHBondContact O-CB 3.46Å; S263-E267 VanDerWaalsContact O-CG 3.3Å; S263-E267 WeakPolarHBondContact O-CG 3.44Å; S263-E267 PolarHBondContact O-N 3.01Å; S264-E267 PolarHBondContact O-N 2.85Å; E267-S269 PolarHBondContact O-N 3.49Å; E267-Y270 WeakPolarHBondContact O-CD1 3.34Å; E267-Y270 WeakPolarHBondContact O-CE1 3.41Å
268E86.3Confident87.9Confident37 Ų3746.5 Ų46.517%0.17325%0.247CC..Hα-helixtrans-76.8-7.6-179.3-68.4167.7-149.700113.9R169 H177 S264 Y270 L271 F272R169-E268 IonicContact CZ-OE1 3.2Å; R169-E268 IonicContact CZ-OE2 3.98Å; R169-E268 VanDerWaalsContact CZ-OE2 3.24Å; R169-E268 IonicContact NE-OE2 3.35Å; R169-E268 IonicContact NH1-OE1 2.76Å; R169-E268 PolarHBondContact NH1-OE1 2.92Å; R169-E268 IonicContact NH1-OE2 3.85Å; R169-E268 PolarHBondContact NH1-OE2 3.38Å; R169-E268 IonicContact NH2-OE1 2.74Å; H177-E268 IonicContact CE1-OE2 3.99Å; H177-E268 PolarHBondContact CE1-OE2 3.08Å; H177-E268 IonicContact NE2-OE2 3.94Å; H177-E268 PolarHBondContact NE2-OE2 3.5Å; S264-E268 WeakPolarHBondContact O-CG 3.37Å; S264-E268 PolarHBondContact O-N 2.8Å; S264-E268 VanDerWaalsContact O-N 3.1Å; S264-E268 PolarHBondContact OG-OE1 2.95Å; E268-Y270 PolarHBondContact O-N 3.44Å; E268-L271 WeakPolarHBondContact O-CB 3.21Å; E268-L271 PolarHBondContact O-N 2.92Å; E268-F272 HydrophobicContact CB-CE2 4.32Å; E268-F272 VanDerWaalsContact O-CD2 3.27Å; E268-F272 WeakPolarHBondContact O-CD2 3.38Å; E268-F272 VanDerWaalsContact O-CE2 3.32Å; E268-F272 WeakPolarHBondContact O-CE2 3.4Å
269S87.4Confident88.1Confident0 Ų048.4 Ų48.40%026%0.263CS..G310 helixtrans-54.4-25.3-17669.50000114.9L265 L266 E267 L271 F272 Q277L265-S269 PolarHBondContact O-N 2.87Å; L265-S269 VanDerWaalsContact O-N 3.11Å; L266-S269 VanDerWaalsContact O-CB 3.24Å; L266-S269 WeakPolarHBondContact O-CB 3.46Å; L266-S269 PolarHBondContact O-N 2.91Å; L266-S269 PolarHBondContact O-OG 3.34Å; E267-S269 PolarHBondContact O-N 3.49Å; S269-L271 VanDerWaalsContact C-N 3.29Å; S269-L271 PolarHBondContact O-N 3.5Å; S269-F272 PolarHBondContact O-N 3.45Å; S269-Q277 PolarHBondContact O-NE2 3.48Å
270Y82.9Confident88.4Confident140 Ų14044.5 Ų44.555%0.54925%0.248SC..G310 helixtrans-74.6-15.6178.466.7-94.8000114.5E267 E268 F272E267-Y270 WeakPolarHBondContact O-CD1 3.34Å; E267-Y270 WeakPolarHBondContact O-CE1 3.41Å; E268-Y270 PolarHBondContact O-N 3.44Å; Y270-F272 VanDerWaalsContact C-N 3.28Å
271L86.7Confident88.6Confident87 Ų8740.6 Ų40.646%0.45522%0.221SC..G310 helixtrans-82.1-11.4178-61.9174000112.2Q178 E268 S269Q178-L271 PolarHBondContact NE2-O 3.42Å; E268-L271 WeakPolarHBondContact O-CB 3.21Å; E268-L271 PolarHBondContact O-N 2.92Å; S269-L271 VanDerWaalsContact C-N 3.29Å; S269-L271 PolarHBondContact O-N 3.5Å
272F88.5Confident88.8Confident13 Ų1340.4 Ų40.46%0.05722%0.218CC..SBendtrans-84.4153.2-178-65-96.3000112Q178 E268 S269 Y270 C276 Q277 L280Q178-F272 HydrophobicContact CB-CD1 3.84Å; Q178-F272 HydrophobicContact CB-CE1 4.17Å; Q178-F272 HydrophobicContact CG-CD1 3.78Å; Q178-F272 HydrophobicContact CG-CE1 4.35Å; Q178-F272 HydrophobicContact CG-CG 4.33Å; E268-F272 HydrophobicContact CB-CE2 4.32Å; E268-F272 VanDerWaalsContact O-CD2 3.27Å; E268-F272 WeakPolarHBondContact O-CD2 3.38Å; E268-F272 VanDerWaalsContact O-CE2 3.32Å; E268-F272 WeakPolarHBondContact O-CE2 3.4Å; S269-F272 PolarHBondContact O-N 3.45Å; Y270-F272 VanDerWaalsContact C-N 3.28Å; F272-C276 HydrophobicContact CB-CB 4.12Å; F272-C276 HydrophobicContact CD1-CB 4.01Å; F272-Q277 HydrophobicContact CB-CB 4.05Å; F272-L280 HydrophobicContact CE1-CD1 4.49Å; F272-L280 HydrophobicContact CE2-CD1 4.2Å; F272-L280 HydrophobicContact CZ-CD1 4.1Å
273T90.6Very high88.8Confident61 Ų6142.8 Ų42.837%0.37423%0.226SC..  trans-64153.5165.351.20000110.2Q178 L275 C276 Q277Q178-T273 PolarHBondContact OE1-OG1 3.08Å; T273-L275 PolarHBondContact O-N 2.85Å; T273-L275 VanDerWaalsContact O-N 3.13Å; T273-C276 PolarHBondContact O-N 3.3Å; T273-C276 WeakPolarHBondContact OG1-CB 3.18Å; T273-C276 PolarHBondContact OG1-SG 2.96Å; T273-Q277 WeakPolarHBondContact O-CB 3.49Å; T273-Q277 PolarHBondContact O-N 3.31Å
274P90.3Very high88.8Confident48 Ų4840.3 Ų40.331%0.31221%0.209SC..Hα-helixtrans-53.1-37.4-178.5-28.635.2000113.9A278 E311 L314P274-A278 VanDerWaalsContact O-CB 3.31Å; P274-A278 WeakPolarHBondContact O-CB 3.46Å; P274-A278 PolarHBondContact O-N 3.42Å; P274-E311 HydrophobicContact CB-CB 4.25Å; P274-E311 HydrophobicContact CB-CG 4Å; P274-E311 HydrophobicContact CG-CG 4.01Å; P274-L314 HydrophobicContact CB-CD1 4.1Å; P274-L314 HydrophobicContact CB-CG 4.24Å; P274-L314 WeakPolarHBondContact O-CD2 3.43Å
275L89.5Confident88.8Confident121 Ų12139.2 Ų39.263%0.63420%0.202SC*.Hα-helixtrans-67.5-47.3177.2-173.370.7000112.3T273 Q277 A278 A279T273-L275 PolarHBondContact O-N 2.85Å; T273-L275 VanDerWaalsContact O-N 3.13Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; L275-Q277 PolarHBondContact O-N 3.28Å; L275-A278 PolarHBondContact O-N 3.31Å; L275-A279 PolarHBondContact O-N 2.97Å
276C88.8Confident88.7Confident31 Ų3139.3 Ų39.321%0.20920%0.202CC..Hα-helixtrans-66.3-37.5177.8-66.60000111.3V182 F272 T273 A279 L280V182-C276 HydrophobicContact CG2-CB 4.05Å; F272-C276 HydrophobicContact CB-CB 4.12Å; F272-C276 HydrophobicContact CD1-CB 4.01Å; T273-C276 PolarHBondContact O-N 3.3Å; T273-C276 WeakPolarHBondContact OG1-CB 3.18Å; T273-C276 PolarHBondContact OG1-SG 2.96Å; C276-A279 PolarHBondContact O-N 3.32Å; C276-L280 WeakPolarHBondContact O-CB 3.23Å; C276-L280 PolarHBondContact O-N 3.4Å
277Q91.8Very high88.6Confident18 Ų1839 Ų398%0.08420%0.2CC..Hα-helixtrans-63.8-43.3175.3-176.5179.831.100111.1S269 F272 T273 L275 L280 F281 L314S269-Q277 PolarHBondContact O-NE2 3.48Å; F272-Q277 HydrophobicContact CB-CB 4.05Å; T273-Q277 WeakPolarHBondContact O-CB 3.49Å; T273-Q277 PolarHBondContact O-N 3.31Å; L275-Q277 VanDerWaalsContact C-N 3.31Å; L275-Q277 PolarHBondContact O-N 3.28Å; Q277-L280 PolarHBondContact O-N 3.14Å; Q277-F281 HydrophobicContact CG-CD2 3.72Å; Q277-F281 HydrophobicContact CG-CE2 3.34Å; Q277-F281 HydrophobicContact CG-CZ 4.38Å; Q277-F281 WeakPolarHBondContact O-CD2 3.24Å; Q277-F281 PolarHBondContact O-N 2.93Å; Q277-L314 HydrophobicContact CB-CD2 3.93Å; Q277-L314 HydrophobicContact CG-CD2 3.77Å
278A90.7Very high88.6Confident7 Ų733 Ų336%0.05817%0.173CC..Hα-helixtrans-60.4-46.9173.500000111.7P274 L275 L280 F281 H282 C313 L314 V317P274-A278 VanDerWaalsContact O-CB 3.31Å; P274-A278 WeakPolarHBondContact O-CB 3.46Å; P274-A278 PolarHBondContact O-N 3.42Å; L275-A278 PolarHBondContact O-N 3.31Å; A278-L280 VanDerWaalsContact C-N 3.33Å; A278-L280 PolarHBondContact O-N 3.02Å; A278-F281 PolarHBondContact O-N 3.26Å; A278-H282 WeakPolarHBondContact O-CB 3.48Å; A278-H282 PolarHBondContact O-N 2.87Å; A278-C313 HydrophobicContact CB-CB 3.9Å; A278-L314 HydrophobicContact CB-CD2 4.13Å; A278-V317 HydrophobicContact CB-CG2 3.78Å
279A88.6Confident88.5Confident42 Ų4232.6 Ų32.635%0.34718%0.175SC..Hα-helixtrans-60.7-41.2176.800000112.4L275 C276 H282 R283L275-A279 PolarHBondContact O-N 2.97Å; C276-A279 PolarHBondContact O-N 3.32Å; A279-H282 PolarHBondContact O-N 3.07Å; A279-R283 WeakPolarHBondContact O-CG 3.35Å; A279-R283 PolarHBondContact O-N 3.03Å; A279-R283 VanDerWaalsContact O-N 3.08Å
280L91.1Very high88.4Confident0 Ų032.6 Ų32.60%018%0.175CC..Hα-helixtrans-62.2-48.8175.4175.2141.2000111.4L265 F272 C276 Q277 A278 H282 R283 L284L265-L280 HydrophobicContact CD2-CD1 4.44Å; F272-L280 HydrophobicContact CE1-CD1 4.49Å; F272-L280 HydrophobicContact CE2-CD1 4.2Å; F272-L280 HydrophobicContact CZ-CD1 4.1Å; C276-L280 WeakPolarHBondContact O-CB 3.23Å; C276-L280 PolarHBondContact O-N 3.4Å; Q277-L280 PolarHBondContact O-N 3.14Å; A278-L280 VanDerWaalsContact C-N 3.33Å; A278-L280 PolarHBondContact O-N 3.02Å; L280-H282 VanDerWaalsContact C-N 3.35Å; L280-H282 PolarHBondContact O-N 3.18Å; L280-R283 PolarHBondContact O-N 3.33Å; L280-L284 HydrophobicContact CD2-CD1 3.38Å; L280-L284 HydrophobicContact CD2-CG 4.43Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.43Å; L280-L284 WeakPolarHBondContact O-CB 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.93Å
281F90.8Very high88.4Confident1 Ų126 Ų260%0.00415%0.149CC..Hα-helixtrans-64-39.3177.4-76.8-58.2000112.4L266 Q277 A278 L284 T285 F299 Q302 L306 V317L266-F281 HydrophobicContact CD2-CD1 4.16Å; L266-F281 HydrophobicContact CD2-CE1 3.53Å; L266-F281 HydrophobicContact CD2-CZ 4.47Å; Q277-F281 HydrophobicContact CG-CD2 3.72Å; Q277-F281 HydrophobicContact CG-CE2 3.34Å; Q277-F281 HydrophobicContact CG-CZ 4.38Å; Q277-F281 WeakPolarHBondContact O-CD2 3.24Å; Q277-F281 PolarHBondContact O-N 2.93Å; A278-F281 PolarHBondContact O-N 3.26Å; F281-L284 PolarHBondContact O-N 3.45Å; F281-T285 WeakPolarHBondContact O-CB 3.49Å; F281-T285 PolarHBondContact O-N 3.15Å; F281-T285 PolarHBondContact O-OG1 3.45Å; F281-F299 HydrophobicContact CD1-CD1 4.36Å; F281-F299 HydrophobicContact CD1-CE1 4.41Å; F281-F299 HydrophobicContact CE1-CD1 4.48Å; F281-Q302 HydrophobicContact CE1-CB 3.98Å; F281-Q302 HydrophobicContact CE1-CG 4.31Å; F281-Q302 HydrophobicContact CZ-CB 3.88Å; F281-Q302 HydrophobicContact CZ-CG 4.25Å; F281-L306 HydrophobicContact CD2-CD1 4.03Å; F281-L306 HydrophobicContact CD2-CD2 4.44Å; F281-L306 HydrophobicContact CE1-CD1 4.28Å; F281-L306 HydrophobicContact CE2-CD1 3.71Å; F281-L306 HydrophobicContact CE2-CD2 3.86Å; F281-L306 HydrophobicContact CE2-CG 4.22Å; F281-L306 HydrophobicContact CG-CD1 4.47Å; F281-L306 HydrophobicContact CZ-CD1 3.87Å; F281-L306 HydrophobicContact CZ-CG 4.46Å; F281-V317 HydrophobicContact CB-CG1 3.41Å; F281-V317 VanDerWaalsContact CB-CG1 3.41Å
282H89Confident88Confident31 Ų3125.8 Ų25.814%0.14415%0.153CC..Hα-helixtrans-57.4-52.7176.1175.8-141.1000111.1S237 A278 A279 L280 T285 E286 L320S237-H282 PolarHBondContact OG-CE1 3.5Å; S237-H282 PolarHBondContact OG-NE2 3.31Å; A278-H282 WeakPolarHBondContact O-CB 3.48Å; A278-H282 PolarHBondContact O-N 2.87Å; A279-H282 PolarHBondContact O-N 3.07Å; L280-H282 VanDerWaalsContact C-N 3.35Å; L280-H282 PolarHBondContact O-N 3.18Å; H282-T285 WeakPolarHBondContact O-CB 3.33Å; H282-T285 PolarHBondContact O-N 3.1Å; H282-E286 PolarHBondContact O-N 2.9Å; H282-L320 WeakPolarHBondContact CD2-CD2 3.47Å
283R87.6Confident87.5Confident51 Ų5126.1 Ų26.119%0.19216%0.16CC..Hα-helixtrans-69.1-35.5-179.6-64.9-57-174.2-163.9-1.1113.1I185 A279 L280 T285 E286 V287I185-R283 HydrophobicContact CD1-CB 4.43Å; I185-R283 HydrophobicContact CG1-CB 3.6Å; I185-R283 HydrophobicContact CG2-CB 4.47Å; A279-R283 WeakPolarHBondContact O-CG 3.35Å; A279-R283 PolarHBondContact O-N 3.03Å; A279-R283 VanDerWaalsContact O-N 3.08Å; L280-R283 PolarHBondContact O-N 3.33Å; R283-T285 VanDerWaalsContact C-N 3.31Å; R283-T285 PolarHBondContact O-N 3.4Å; R283-E286 WeakPolarHBondContact CD-OE2 3.32Å; R283-E286 IonicContact CZ-OE2 3.77Å; R283-E286 IonicContact NE-OE2 3.73Å; R283-E286 IonicContact NH1-OE1 2.77Å; R283-E286 PolarHBondContact NH1-OE1 3.32Å; R283-E286 IonicContact NH1-OE2 3.3Å; R283-E286 PolarHBondContact NH1-OE2 2.76Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.31Å; R283-V287 WeakPolarHBondContact O-CG2 3.43Å; R283-V287 PolarHBondContact O-N 3.2Å
284L89.9Confident87.1Confident0 Ų023.3 Ų23.30%014%0.143CC..Hα-helixtrans-63.7-37.6173-74.4171.1000112.1I185 L262 L265 L266 L280 F281 E286 V287 V288 F299I185-L284 HydrophobicContact CD1-CB 4.49Å; I185-L284 HydrophobicContact CD1-CD2 3.32Å; I185-L284 HydrophobicContact CD1-CG 3.62Å; I185-L284 HydrophobicContact CG1-CD2 4.29Å; I185-L284 HydrophobicContact CG1-CG 4.09Å; L262-L284 HydrophobicContact CD2-CD2 3.26Å; L265-L284 HydrophobicContact CD1-CD2 4.38Å; L266-L284 HydrophobicContact CD2-CD1 3.8Å; L266-L284 HydrophobicContact CG-CD1 4.24Å; L280-L284 HydrophobicContact CD2-CD1 3.38Å; L280-L284 HydrophobicContact CD2-CG 4.43Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.43Å; L280-L284 WeakPolarHBondContact O-CB 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.46Å; L280-L284 PolarHBondContact O-N 2.93Å; F281-L284 PolarHBondContact O-N 3.45Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.96Å; L284-V287 PolarHBondContact O-N 2.83Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 2.89Å; L284-F299 HydrophobicContact CB-CE1 3.79Å; L284-F299 HydrophobicContact CB-CZ 3.8Å; L284-F299 HydrophobicContact CD1-CE1 4.26Å
285T88.7Confident86.8Confident0 Ų024.2 Ų24.20%015%0.149CC..Hα-helixtrans-60.8-43.1175.8-55.50000110I239 F281 H282 R283 V288 A289 M321 F325I239-T285 HydrophobicContact CD1-CG2 3.48Å; I239-T285 VanDerWaalsContact CD1-CG2 3.48Å; F281-T285 WeakPolarHBondContact O-CB 3.49Å; F281-T285 PolarHBondContact O-N 3.15Å; F281-T285 PolarHBondContact O-OG1 3.45Å; H282-T285 WeakPolarHBondContact O-CB 3.33Å; H282-T285 PolarHBondContact O-N 3.1Å; R283-T285 VanDerWaalsContact C-N 3.31Å; R283-T285 PolarHBondContact O-N 3.4Å; T285-V288 PolarHBondContact O-N 2.86Å; T285-A289 VanDerWaalsContact O-CB 3.32Å; T285-A289 WeakPolarHBondContact O-CB 3.29Å; T285-A289 PolarHBondContact O-N 2.86Å; T285-M321 HydrophobicContact CG2-CG 4.13Å; T285-M321 VanDerWaalsContact OG1-CG 3.28Å; T285-M321 WeakPolarHBondContact OG1-CG 3.42Å; T285-F325 HydrophobicContact CG2-CD2 4.3Å; T285-F325 HydrophobicContact CG2-CE2 3.55Å; T285-F325 HydrophobicContact CG2-CZ 3.99Å
286E86.7Confident86.6Confident1 Ų119.4 Ų19.41%0.00513%0.125CC..Hα-helixtrans-61.4-44.8174.3-63.4-176133.300112.1R189 L238 I239 H282 R283 L284 A289 M290R189-E286 HydrophobicContact CG-CB 4.22Å; R189-E286 WeakPolarHBondContact CG-OE2 3.45Å; R189-E286 IonicContact CZ-OE2 3.92Å; R189-E286 IonicContact NE-OE1 3.36Å; R189-E286 IonicContact NE-OE2 3.62Å; R189-E286 PolarHBondContact NE-OE2 3.15Å; R189-E286 IonicContact NH2-OE1 3.02Å; R189-E286 IonicContact NH2-OE2 3.66Å; L238-E286 HydrophobicContact CB-CG 4.37Å; L238-E286 HydrophobicContact CD1-CB 4.42Å; L238-E286 PolarHBondContact N-OE1 3.27Å; I239-E286 HydrophobicContact CD1-CB 4.5Å; I239-E286 HydrophobicContact CD1-CG 3.68Å; I239-E286 HydrophobicContact CG1-CG 4.12Å; H282-E286 PolarHBondContact O-N 2.9Å; R283-E286 WeakPolarHBondContact CD-OE2 3.32Å; R283-E286 IonicContact CZ-OE2 3.77Å; R283-E286 IonicContact NE-OE2 3.73Å; R283-E286 IonicContact NH1-OE1 2.77Å; R283-E286 PolarHBondContact NH1-OE1 3.32Å; R283-E286 IonicContact NH1-OE2 3.3Å; R283-E286 PolarHBondContact NH1-OE2 2.76Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.31Å; L284-E286 VanDerWaalsContact C-N 3.31Å; L284-E286 PolarHBondContact O-N 2.96Å; E286-A289 PolarHBondContact O-N 2.84Å; E286-M290 HydrophobicContact CB-CE 4.13Å; E286-M290 WeakPolarHBondContact O-CE 3.18Å; E286-M290 WeakPolarHBondContact O-CG 3.37Å; E286-M290 PolarHBondContact O-N 3.39Å
287V87Confident86.5Confident0 Ų021.5 Ų21.50%014%0.137CC..Hα-helixtrans-60.9-46.6178.6171.80000111.9R189 V192 L262 R283 L284 A289 M290 V291R189-V287 HydrophobicContact CB-CG2 3.79Å; R189-V287 HydrophobicContact CG-CG2 4.25Å; V192-V287 HydrophobicContact CG2-CG1 4.35Å; L262-V287 HydrophobicContact CD2-CG1 4.36Å; R283-V287 WeakPolarHBondContact O-CG2 3.43Å; R283-V287 PolarHBondContact O-N 3.2Å; L284-V287 PolarHBondContact O-N 2.83Å; V287-A289 VanDerWaalsContact C-N 3.34Å; V287-M290 PolarHBondContact O-N 3.35Å; V287-V291 PolarHBondContact O-N 3.36Å; V287-V291 VanDerWaalsContact O-N 3.13Å
288V87.8Confident86.2Confident5 Ų522.4 Ų22.43%0.0314%0.144CC..Hα-helixtrans-68.7-35.3179.9174.20000111.1L262 L284 T285 M290 V291 P296 F299 F325L262-V288 HydrophobicContact CD1-CG2 4.18Å; L284-V288 WeakPolarHBondContact O-CG2 3.48Å; L284-V288 PolarHBondContact O-N 2.89Å; T285-V288 PolarHBondContact O-N 2.86Å; V288-M290 VanDerWaalsContact C-N 3.32Å; V288-M290 PolarHBondContact O-N 3.16Å; V288-V291 CarbonylContact O-C 3.59Å; V288-V291 PolarHBondContact O-N 3.26Å; V288-P296 HydrophobicContact CG1-CB 4.33Å; V288-F299 HydrophobicContact CB-CE2 3.95Å; V288-F299 HydrophobicContact CB-CZ 4.36Å; V288-F299 HydrophobicContact CG1-CE2 4.17Å; V288-F299 HydrophobicContact CG2-CE2 3.67Å; V288-F299 HydrophobicContact CG2-CZ 3.74Å; V288-F325 HydrophobicContact CB-CZ 3.82Å; V288-F325 HydrophobicContact CG1-CE1 3.97Å; V288-F325 HydrophobicContact CG1-CE2 4.45Å; V288-F325 HydrophobicContact CG1-CZ 3.64Å
289A84.6Confident86.2Confident27 Ų2722.2 Ų22.222%0.22314%0.142CC..Hα-helixtrans-64.5-34.8173.500000112.8V246 T285 E286 V287 F325V246-A289 HydrophobicContact CG1-CB 4.19Å; T285-A289 VanDerWaalsContact O-CB 3.32Å; T285-A289 WeakPolarHBondContact O-CB 3.29Å; T285-A289 PolarHBondContact O-N 2.86Å; E286-A289 PolarHBondContact O-N 2.84Å; V287-A289 VanDerWaalsContact C-N 3.34Å; A289-F325 HydrophobicContact CB-CE1 4.28Å; A289-F325 HydrophobicContact CB-CZ 4.42Å
290M84.7Confident86.2Confident0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-75.5-24.9176.6-71.8-175.5-84.500113.6R189 V192 Y193 T196 L238 V246 P247 T248 L249 E286 V287 V288 P292R189-M290 HydrophobicContact CG-CE 4.03Å; V192-M290 HydrophobicContact CG1-CB 3.9Å; V192-M290 HydrophobicContact CG1-CE 4.3Å; V192-M290 HydrophobicContact CG1-SD 4.25Å; Y193-M290 HydrophobicContact CD2-SD 3.93Å; Y193-M290 HydrophobicContact CG-SD 4.41Å; T196-M290 HydrophobicContact CG2-CB 4.35Å; L238-M290 HydrophobicContact CD1-CE 3.94Å; L238-M290 HydrophobicContact CD1-SD 3.91Å; V246-M290 HydrophobicContact CG1-CG 3.8Å; P247-M290 WeakPolarHBondContact O-CG 3.46Å; T248-M290 CarbonylContact C-O 3.57Å; T248-M290 WeakPolarHBondContact CA-O 3.44Å; L249-M290 PolarHBondContact N-O 3.37Å; E286-M290 HydrophobicContact CB-CE 4.13Å; E286-M290 WeakPolarHBondContact O-CE 3.18Å; E286-M290 WeakPolarHBondContact O-CG 3.37Å; E286-M290 PolarHBondContact O-N 3.39Å; V287-M290 PolarHBondContact O-N 3.35Å; V288-M290 VanDerWaalsContact C-N 3.32Å; V288-M290 PolarHBondContact O-N 3.16Å; M290-P292 VanDerWaalsContact O-CD 3.3Å; M290-P292 WeakPolarHBondContact O-CD 3.35Å
291V83.9Confident85.9Confident1 Ų128.4 Ų28.41%0.00617%0.171CC..  trans-11687.3-175.2-173.10000110.8V192 L249 T251 L258 V287 V288 G293 I294V192-V291 HydrophobicContact CG1-CG2 3.68Å; L249-V291 HydrophobicContact CB-CG2 4.48Å; T251-V291 HydrophobicContact CG2-CG1 4.31Å; T251-V291 WeakPolarHBondContact OG1-CG1 3.25Å; L258-V291 HydrophobicContact CD2-CB 4.42Å; L258-V291 HydrophobicContact CD2-CG1 4.21Å; L258-V291 HydrophobicContact CD2-CG2 4.14Å; V287-V291 PolarHBondContact O-N 3.36Å; V287-V291 VanDerWaalsContact O-N 3.13Å; V288-V291 CarbonylContact O-C 3.59Å; V288-V291 PolarHBondContact O-N 3.26Å; V291-G293 PolarHBondContact O-N 3.46Å; V291-I294 HydrophobicContact CG1-CG1 4.34Å; V291-I294 PolarHBondContact O-N 3.2Å; V291-I294 VanDerWaalsContact O-N 3.14Å
292P77.5Confident85.7Confident83 Ų8329.4 Ų29.454%0.53918%0.175SC..THydrogen-bonded Turntrans-63.2-15.3-177.725.7-35.8000114.2L249 M290 I294L249-P292 WeakPolarHBondContact O-CD 3.36Å; M290-P292 VanDerWaalsContact O-CD 3.3Å; M290-P292 WeakPolarHBondContact O-CD 3.35Å; P292-I294 PolarHBondContact O-N 3.31Å
293G77.1Confident85.5Confident20 Ų2028.1 Ų28.121%0.20617%0.169CC..THydrogen-bonded Turntrans-67.9-11.3175.100000114.7V291V291-G293 PolarHBondContact O-N 3.46Å
294I83.3Confident85.4Confident3 Ų331 Ų312%0.01519%0.188CC..SBendtrans-111.3118.7176.9-60.5-176.5000109C255 L258 R259 L262 V291 P292 V298C255-I294 HydrophobicContact CB-CD1 4.15Å; C255-I294 HydrophobicContact CB-CG1 3.99Å; L258-I294 HydrophobicContact CB-CD1 3.93Å; L258-I294 HydrophobicContact CD2-CD1 3.43Å; L258-I294 VanDerWaalsContact CD2-CD1 3.43Å; L258-I294 HydrophobicContact CG-CD1 3.5Å; L258-I294 VanDerWaalsContact CG-CD1 3.5Å; R259-I294 HydrophobicContact CG-CD1 3.89Å; R259-I294 HydrophobicContact CG-CG1 3.98Å; R259-I294 HydrophobicContact CG-CG2 4.21Å; L262-I294 HydrophobicContact CD1-CD1 3.64Å; L262-I294 HydrophobicContact CD1-CG2 4.15Å; V291-I294 HydrophobicContact CG1-CG1 4.34Å; V291-I294 PolarHBondContact O-N 3.2Å; V291-I294 VanDerWaalsContact O-N 3.14Å; P292-I294 PolarHBondContact O-N 3.31Å; I294-V298 HydrophobicContact CG2-CG2 3.87Å
295P84.7Confident85.1Confident66 Ų6636.5 Ų36.543%0.42921%0.209SC..  trans-69.7143178.129.2-34.2000110.7T297 V298P295-T297 PolarHBondContact O-N 3.44Å; P295-V298 WeakPolarHBondContact O-CG2 3.42Å; P295-V298 PolarHBondContact O-N 3.04Å
296P85.1Confident84.9Confident20 Ų2036.6 Ų36.613%0.1321%0.21CC..G310 helixtrans-65.9-10.7179.424.3-30.8000113.3V288 V298 F299 F325 S328 L329V288-P296 HydrophobicContact CG1-CB 4.33Å; P296-V298 PolarHBondContact O-N 3.44Å; P296-F299 WeakPolarHBondContact O-CD2 3.16Å; P296-F299 PolarHBondContact O-N 3.07Å; P296-F325 HydrophobicContact CB-CB 4.22Å; P296-F325 HydrophobicContact CB-CD1 3.79Å; P296-F325 HydrophobicContact CB-CD2 3.97Å; P296-F325 HydrophobicContact CB-CE1 4.14Å; P296-F325 HydrophobicContact CB-CE2 4.27Å; P296-F325 HydrophobicContact CB-CG 3.72Å; P296-F325 HydrophobicContact CB-CZ 4.38Å; P296-F325 HydrophobicContact CG-CB 4.45Å; P296-F325 HydrophobicContact CG-CD1 4.12Å; P296-F325 HydrophobicContact CG-CG 4.28Å; P296-S328 WeakPolarHBondContact CG-OG 3.49Å; P296-L329 HydrophobicContact CB-CB 4.41Å; P296-L329 WeakPolarHBondContact O-CD1 3.32Å
297T85.9Confident84.8Confident76 Ų7637 Ų3747%0.46621%0.212SC..G310 helixtrans-56.4-17.1173.557.60000114.1P295 F299 R300P295-T297 PolarHBondContact O-N 3.44Å; T297-F299 PolarHBondContact O-N 3.36Å; T297-R300 WeakPolarHBondContact O-CB 3.25Å; T297-R300 PolarHBondContact O-N 2.98Å
298V86.4Confident84.5Confident37 Ų3739.6 Ų39.622%0.22424%0.238CC..G310 helixtrans-55.7-30.6171.4176.50000111.8L266 I294 P295 P296 R300L266-V298 HydrophobicContact CD1-CG1 3.46Å; L266-V298 VanDerWaalsContact CD1-CG1 3.46Å; I294-V298 HydrophobicContact CG2-CG2 3.87Å; P295-V298 WeakPolarHBondContact O-CG2 3.42Å; P295-V298 PolarHBondContact O-N 3.04Å; P296-V298 PolarHBondContact O-N 3.44Å; V298-R300 VanDerWaalsContact C-N 3.34Å
299F89.4Confident84.3Confident3 Ų340.7 Ų40.71%0.01325%0.245CC..G310 helixtrans-78.4-12.9176.4-63.7-66.4000114.2L266 F281 L284 V288 P296 T297 A301 Q302 L303 M321 F325 L329L266-F299 HydrophobicContact CD1-CD1 4.2Å; L266-F299 HydrophobicContact CD1-CE1 4.35Å; L266-F299 HydrophobicContact CD2-CD1 3.79Å; L266-F299 HydrophobicContact CD2-CE1 3.91Å; F281-F299 HydrophobicContact CD1-CD1 4.36Å; F281-F299 HydrophobicContact CD1-CE1 4.41Å; F281-F299 HydrophobicContact CE1-CD1 4.48Å; L284-F299 HydrophobicContact CB-CE1 3.79Å; L284-F299 HydrophobicContact CB-CZ 3.8Å; L284-F299 HydrophobicContact CD1-CE1 4.26Å; V288-F299 HydrophobicContact CB-CE2 3.95Å; V288-F299 HydrophobicContact CB-CZ 4.36Å; V288-F299 HydrophobicContact CG1-CE2 4.17Å; V288-F299 HydrophobicContact CG2-CE2 3.67Å; V288-F299 HydrophobicContact CG2-CZ 3.74Å; P296-F299 WeakPolarHBondContact O-CD2 3.16Å; P296-F299 PolarHBondContact O-N 3.07Å; T297-F299 PolarHBondContact O-N 3.36Å; F299-A301 VanDerWaalsContact C-N 3.31Å; F299-A301 PolarHBondContact O-N 2.89Å; F299-Q302 PolarHBondContact O-N 3.26Å; F299-L303 WeakPolarHBondContact O-CB 3.32Å; F299-L303 PolarHBondContact O-N 3.27Å; F299-M321 HydrophobicContact CD1-SD 4.45Å; F299-M321 HydrophobicContact CG-SD 4.36Å; F299-F325 HydrophobicContact CD2-CE2 4.2Å; F299-F325 AromaticContact CE2-CE2 3.86Å; F299-F325 HydrophobicContact CE2-CE2 3.86Å; F299-F325 HydrophobicContact CE2-CZ 4.39Å; F299-L329 HydrophobicContact CB-CD1 4.13Å; F299-L329 HydrophobicContact CB-CD2 4.21Å
300R88.3Confident84.1Confident103 Ų10344 Ų4439%0.38926%0.259SS..Hα-helixtrans-60.7-36-166.8-165.5155.8179.680.56.4113.6T297 V298 L303 L304 L329 D334T297-R300 WeakPolarHBondContact O-CB 3.25Å; T297-R300 PolarHBondContact O-N 2.98Å; V298-R300 VanDerWaalsContact C-N 3.34Å; R300-L303 PolarHBondContact O-N 3.49Å; R300-L304 PolarHBondContact O-N 2.95Å; R300-L329 PolarHBondContact NH1-O 2.97Å; R300-D334 IonicContact CZ-OD2 3.49Å; R300-D334 IonicContact NH1-OD2 3.7Å; R300-D334 PolarHBondContact NH1-OD2 2.92Å; R300-D334 IonicContact NH2-OD2 3.81Å
301A85.9Confident84.3Confident69 Ų6949 Ų4957%0.5728%0.282SS*.Hα-helixtrans-65.5-39.117600000112.7F299F299-A301 VanDerWaalsContact C-N 3.31Å; F299-A301 PolarHBondContact O-N 2.89Å
302Q86.3Confident84.5Confident21 Ų2150.7 Ų50.710%0.09829%0.292CS..Hα-helixtrans-79-32.4177.2-59.5-53.7-24.400111.7L266 F281 F299 L304 R305 L306L266-Q302 HydrophobicContact CB-CG 4.2Å; L266-Q302 HydrophobicContact CD2-CG 4.03Å; L266-Q302 PolarHBondContact O-NE2 2.86Å; F281-Q302 HydrophobicContact CE1-CB 3.98Å; F281-Q302 HydrophobicContact CE1-CG 4.31Å; F281-Q302 HydrophobicContact CZ-CB 3.88Å; F281-Q302 HydrophobicContact CZ-CG 4.25Å; F299-Q302 PolarHBondContact O-N 3.26Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 2.93Å; Q302-R305 WeakPolarHBondContact O-CA 3.45Å; Q302-R305 WeakPolarHBondContact O-CB 3.49Å; Q302-R305 PolarHBondContact O-N 2.97Å; Q302-L306 WeakPolarHBondContact O-CG 3.27Å; Q302-L306 PolarHBondContact O-N 3.03Å
303L85.8Confident85.1Confident4 Ų449.2 Ų49.22%0.02128%0.284CS..Hα-helixtrans-55.7-47.6176.9-175.661.2000111.3F299 R300 R305 L306 L307 T318 L329 F330F299-L303 WeakPolarHBondContact O-CB 3.32Å; F299-L303 PolarHBondContact O-N 3.27Å; R300-L303 PolarHBondContact O-N 3.49Å; L303-R305 PolarHBondContact O-N 3.14Å; L303-L306 PolarHBondContact O-N 2.95Å; L303-L307 HydrophobicContact CD1-CD2 4.4Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 4.41Å; L303-L307 HydrophobicContact CG-CG 4.27Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.3Å; L303-T318 HydrophobicContact CD1-CG2 3.78Å; L303-L329 HydrophobicContact CD2-CD1 4.08Å; L303-L329 HydrophobicContact CD2-CG 3.98Å; L303-F330 HydrophobicContact CD1-CE1 3.63Å; L303-F330 HydrophobicContact CD1-CZ 3.61Å; L303-F330 HydrophobicContact CD2-CD1 4.14Å; L303-F330 HydrophobicContact CD2-CE1 3.83Å; L303-F330 HydrophobicContact CD2-CZ 4.07Å; L303-F330 HydrophobicContact CG-CE1 4.27Å; L303-F330 HydrophobicContact CG-CZ 4.49Å
304L84.7Confident85.8Confident113 Ų11348.6 Ų48.659%0.59228%0.275SS*.Hα-helixtrans-55.6-29.7177.6-68.6174000113.2R300 Q302R300-L304 PolarHBondContact O-N 2.95Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 2.93Å
305R84.3Confident86Confident114 Ų11448.4 Ų48.443%0.4328%0.275SS..Hα-helixtrans-80.2-42.6174.1-64.3174.951.7-153.6-5.5112.2Q302 L303 L307 G308Q302-R305 WeakPolarHBondContact O-CA 3.45Å; Q302-R305 WeakPolarHBondContact O-CB 3.49Å; Q302-R305 PolarHBondContact O-N 2.97Å; L303-R305 PolarHBondContact O-N 3.14Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.2Å; R305-G308 PolarHBondContact O-N 2.97Å
306L84.7Confident86.3Confident3 Ų349.8 Ų49.82%0.01628%0.275CS..Hα-helixtrans-64.7-33.2179.6-68.2176.3000112.3F281 Q302 L303 G308 T309 L314 M321F281-L306 HydrophobicContact CD2-CD1 4.03Å; F281-L306 HydrophobicContact CD2-CD2 4.44Å; F281-L306 HydrophobicContact CE1-CD1 4.28Å; F281-L306 HydrophobicContact CE2-CD1 3.71Å; F281-L306 HydrophobicContact CE2-CD2 3.86Å; F281-L306 HydrophobicContact CE2-CG 4.22Å; F281-L306 HydrophobicContact CG-CD1 4.47Å; F281-L306 HydrophobicContact CZ-CD1 3.87Å; F281-L306 HydrophobicContact CZ-CG 4.46Å; Q302-L306 WeakPolarHBondContact O-CG 3.27Å; Q302-L306 PolarHBondContact O-N 3.03Å; L303-L306 PolarHBondContact O-N 2.95Å; L306-G308 PolarHBondContact O-N 3.3Å; L306-T309 HydrophobicContact CD2-CG2 4.24Å; L306-T309 PolarHBondContact O-N 3.37Å; L306-T309 VanDerWaalsContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 3.36Å; L306-L314 HydrophobicContact CD2-CB 4.24Å; L306-L314 HydrophobicContact CD2-CD1 4.41Å; L306-L314 HydrophobicContact CD2-CD2 4.2Å; L306-M321 HydrophobicContact CD1-CE 3.66Å
307L83.1Confident86.4Confident10 Ų1049.4 Ų49.45%0.05227%0.272CS..THydrogen-bonded Turntrans-57.2-17.4172.3-70.5180000112.9L303 R305 F337 L338 R341L303-L307 HydrophobicContact CD1-CD2 4.4Å; L303-L307 HydrophobicContact CD1-CG 4.36Å; L303-L307 HydrophobicContact CG-CD1 4.41Å; L303-L307 HydrophobicContact CG-CG 4.27Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.49Å; L303-L307 PolarHBondContact O-N 3.3Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 3.2Å; L307-F337 HydrophobicContact CB-CD1 4.29Å; L307-F337 HydrophobicContact CB-CE1 4.03Å; L307-F337 HydrophobicContact CD2-CD1 4.47Å; L307-F337 WeakPolarHBondContact O-CE1 3.37Å; L307-L338 HydrophobicContact CD2-CD1 4.09Å; L307-L338 HydrophobicContact CD2-CD2 3.35Å; L307-L338 HydrophobicContact CD2-CG 3.46Å; L307-L338 VanDerWaalsContact CD2-CG 3.46Å; L307-R341 VanDerWaalsContact O-CD 3.25Å; L307-R341 WeakPolarHBondContact O-CD 3.41Å; L307-R341 VanDerWaalsContact O-CZ 3.23Å; L307-R341 PolarHBondContact O-NE 3.13Å; L307-R341 PolarHBondContact O-NH1 3.12Å
308G80.6Confident86.6Confident53 Ų5345.8 Ų45.855%0.54625%0.25SC..THydrogen-bonded Turntrans-105.85.2177.100000117R305 L306 R341R305-G308 PolarHBondContact O-N 2.97Å; L306-G308 PolarHBondContact O-N 3.3Å; G308-R341 VanDerWaalsContact CA-NH1 3.32Å; G308-R341 PolarHBondContact O-NH2 3.01Å
309T85Confident86.6Confident28 Ų2844.5 Ų44.517%0.17224%0.242CC..  trans-85.5135.8-179.161.70000115.5L306 L314 R341L306-T309 HydrophobicContact CD2-CG2 4.24Å; L306-T309 PolarHBondContact O-N 3.37Å; L306-T309 VanDerWaalsContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 3.36Å; T309-L314 HydrophobicContact CG2-CB 4.48Å; T309-L314 HydrophobicContact CG2-CD1 3.83Å; T309-R341 PolarHBondContact O-NH1 2.87Å; T309-R341 PolarHBondContact O-NH2 2.92Å
310N80.4Confident86.5Confident98 Ų9845.1 Ų45.152%0.52425%0.245SC..  trans-91.5-1.6175.4-69.7-12.6000113.2R341 Y359N310-R341 PolarHBondContact OD1-NH2 3.21Å; N310-Y359 PolarHBondContact O-OH 3.09Å
311E87.8Confident86.4Confident105 Ų10540.3 Ų40.349%0.49123%0.227SC..  trans-77.8123.4-178.9-66.6-65.5158.700110.9P274 C313 L314 L315P274-E311 HydrophobicContact CB-CB 4.25Å; P274-E311 HydrophobicContact CB-CG 4Å; P274-E311 HydrophobicContact CG-CG 4.01Å; E311-C313 VanDerWaalsContact C-N 3.3Å; E311-C313 PolarHBondContact O-N 3.48Å; E311-L314 HydrophobicContact CB-CB 4.32Å; E311-L314 HydrophobicContact CB-CD1 4.08Å; E311-L314 HydrophobicContact CB-CG 4.19Å; E311-L314 HydrophobicContact CG-CD1 4.45Å; E311-L314 PolarHBondContact O-N 3.24Å; E311-L314 VanDerWaalsContact O-N 3.16Å; E311-L315 PolarHBondContact O-N 3.27Å; E311-L315 VanDerWaalsContact O-N 3.11Å
312V89.3Confident86.4Confident35 Ų3537 Ų3721%0.21220%0.2CC..Hα-helixtrans-54.9-45.3-176-177.80000111.7L314 L315 H316 E355 F358 Y359V312-L314 VanDerWaalsContact C-N 3.33Å; V312-L314 PolarHBondContact O-N 3.36Å; V312-L315 PolarHBondContact O-N 3.16Å; V312-H316 WeakPolarHBondContact O-CB 3.35Å; V312-H316 PolarHBondContact O-N 3.44Å; V312-E355 HydrophobicContact CG2-CB 4.49Å; V312-E355 HydrophobicContact CG2-CG 3.99Å; V312-F358 HydrophobicContact CG1-CD1 3.53Å; V312-F358 HydrophobicContact CG1-CE1 3.46Å; V312-F358 VanDerWaalsContact CG1-CE1 3.46Å; V312-F358 HydrophobicContact CG1-CG 4.24Å; V312-F358 HydrophobicContact CG1-CZ 4.12Å; V312-Y359 VanDerWaalsContact CG2-OH 3.32Å; V312-Y359 WeakPolarHBondContact CG2-OH 3.25Å
313C90.1Very high86.2Confident53 Ų5339.2 Ų39.236%0.35822%0.217SC..Hα-helixtrans-61.5-40.2-177.5-63.70000112.3A278 E311 V317A278-C313 HydrophobicContact CB-CB 3.9Å; E311-C313 VanDerWaalsContact C-N 3.3Å; E311-C313 PolarHBondContact O-N 3.48Å; C313-V317 WeakPolarHBondContact O-CG2 3.27Å; C313-V317 PolarHBondContact O-N 2.86Å
314L90.2Very high85.8Confident6 Ų640.9 Ų40.93%0.03124%0.235CC..Hα-helixtrans-74.4-37.4-179.2-66.4179.2000111.8P274 Q277 A278 L306 T309 E311 V312 T318P274-L314 HydrophobicContact CB-CD1 4.1Å; P274-L314 HydrophobicContact CB-CG 4.24Å; P274-L314 WeakPolarHBondContact O-CD2 3.43Å; Q277-L314 HydrophobicContact CB-CD2 3.93Å; Q277-L314 HydrophobicContact CG-CD2 3.77Å; A278-L314 HydrophobicContact CB-CD2 4.13Å; L306-L314 HydrophobicContact CD2-CB 4.24Å; L306-L314 HydrophobicContact CD2-CD1 4.41Å; L306-L314 HydrophobicContact CD2-CD2 4.2Å; T309-L314 HydrophobicContact CG2-CB 4.48Å; T309-L314 HydrophobicContact CG2-CD1 3.83Å; E311-L314 HydrophobicContact CB-CB 4.32Å; E311-L314 HydrophobicContact CB-CD1 4.08Å; E311-L314 HydrophobicContact CB-CG 4.19Å; E311-L314 HydrophobicContact CG-CD1 4.45Å; E311-L314 PolarHBondContact O-N 3.24Å; E311-L314 VanDerWaalsContact O-N 3.16Å; V312-L314 VanDerWaalsContact C-N 3.33Å; V312-L314 PolarHBondContact O-N 3.36Å; L314-T318 PolarHBondContact O-N 2.79Å; L314-T318 VanDerWaalsContact O-N 3.07Å; L314-T318 PolarHBondContact O-OG1 3.19Å
315L89.1Confident85.6Confident0 Ų036.5 Ų36.50%021%0.211CC..Hα-helixtrans-65.4-43.5174.9-168.671000110.9E311 V312 V317 T318 L319 L338 L342 L345 Y359E311-L315 PolarHBondContact O-N 3.27Å; E311-L315 VanDerWaalsContact O-N 3.11Å; V312-L315 PolarHBondContact O-N 3.16Å; L315-V317 PolarHBondContact O-N 3.05Å; L315-T318 WeakPolarHBondContact O-CA 3.4Å; L315-T318 VanDerWaalsContact O-CB 3.32Å; L315-T318 WeakPolarHBondContact O-CB 3.46Å; L315-T318 PolarHBondContact O-N 2.97Å; L315-L319 PolarHBondContact O-N 2.88Å; L315-L338 HydrophobicContact CD1-CD2 4.27Å; L315-L342 HydrophobicContact CD2-CD2 3.42Å; L315-L342 VanDerWaalsContact CD2-CD2 3.42Å; L315-L342 HydrophobicContact CD2-CG 4.41Å; L315-L342 HydrophobicContact CG-CD2 4.32Å; L315-L345 HydrophobicContact CD2-CD1 3.89Å; L315-Y359 HydrophobicContact CD2-CD1 3.7Å; L315-Y359 HydrophobicContact CD2-CE1 3.29Å
316H89.1Confident85.5Confident94 Ų9432.9 Ų32.944%0.43520%0.202SC..Hα-helixtrans-60.1-44.2178.1-172.5-137.8000112.2V312 T318 L319 L320 F358V312-H316 WeakPolarHBondContact O-CB 3.35Å; V312-H316 PolarHBondContact O-N 3.44Å; H316-T318 VanDerWaalsContact C-N 3.25Å; H316-T318 PolarHBondContact O-N 3.27Å; H316-L319 WeakPolarHBondContact O-CB 3.41Å; H316-L319 PolarHBondContact O-N 3.31Å; H316-L319 VanDerWaalsContact O-N 3.17Å; H316-L320 PolarHBondContact O-N 2.8Å; H316-F358 HydrophobicContact CB-CE1 4.45Å; H316-F358 HydrophobicContact CB-CZ 3.83Å; H316-F358 AromaticContact CD2-CZ 3.7Å; H316-F358 AromaticContact CG-CZ 3.79Å
317V88.9Confident85.1Confident12 Ų1238.1 Ų38.17%0.07323%0.23CC..Hα-helixtrans-67.9-28175.9177.10000112.2A278 F281 C313 L315 L320 M321A278-V317 HydrophobicContact CB-CG2 3.78Å; F281-V317 HydrophobicContact CB-CG1 3.41Å; F281-V317 VanDerWaalsContact CB-CG1 3.41Å; C313-V317 WeakPolarHBondContact O-CG2 3.27Å; C313-V317 PolarHBondContact O-N 2.86Å; L315-V317 PolarHBondContact O-N 3.05Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 PolarHBondContact O-N 3.01Å; V317-M321 HydrophobicContact CG1-CE 4.45Å; V317-M321 WeakPolarHBondContact O-CG 3.24Å; V317-M321 PolarHBondContact O-N 3.49Å
318T89.3Confident85Confident0 Ų040.7 Ų40.70%025%0.249CC..Hα-helixtrans-66.6-40.6171.9-54.20000111.6L303 L314 L315 H316 L320 M321 K322 F330 L338L303-T318 HydrophobicContact CD1-CG2 3.78Å; L314-T318 PolarHBondContact O-N 2.79Å; L314-T318 VanDerWaalsContact O-N 3.07Å; L314-T318 PolarHBondContact O-OG1 3.19Å; L315-T318 WeakPolarHBondContact O-CA 3.4Å; L315-T318 VanDerWaalsContact O-CB 3.32Å; L315-T318 WeakPolarHBondContact O-CB 3.46Å; L315-T318 PolarHBondContact O-N 2.97Å; H316-T318 VanDerWaalsContact C-N 3.25Å; H316-T318 PolarHBondContact O-N 3.27Å; T318-L320 VanDerWaalsContact C-N 3.34Å; T318-M321 PolarHBondContact O-N 3.07Å; T318-K322 PolarHBondContact O-N 3.43Å; T318-F330 HydrophobicContact CG2-CE1 4.2Å; T318-F330 HydrophobicContact CG2-CZ 4.03Å; T318-L338 HydrophobicContact CG2-CD1 4.29Å; T318-L338 HydrophobicContact CG2-CD2 4.17Å
319L87.5Confident85.1Confident10 Ų1038.4 Ų38.45%0.05222%0.224CC..Hα-helixtrans-64.4-39.4172.2-66.3172.9000111.5L315 H316 M321 K322 C323 L342 C362 F366L315-L319 PolarHBondContact O-N 2.88Å; H316-L319 WeakPolarHBondContact O-CB 3.41Å; H316-L319 PolarHBondContact O-N 3.31Å; H316-L319 VanDerWaalsContact O-N 3.17Å; L319-M321 PolarHBondContact O-N 3.14Å; L319-K322 CarbonylContact O-C 3.57Å; L319-K322 WeakPolarHBondContact O-CA 3.27Å; L319-K322 WeakPolarHBondContact O-CB 3.36Å; L319-K322 PolarHBondContact O-N 3.12Å; L319-C323 PolarHBondContact O-N 3.1Å; L319-C323 PolarHBondContact O-SG 3.29Å; L319-L342 HydrophobicContact CD2-CD1 4.27Å; L319-C362 HydrophobicContact CD1-CB 3.71Å; L319-F366 HydrophobicContact CD2-CD2 3.93Å; L319-F366 HydrophobicContact CD2-CE2 3.71Å
320L86.4Confident85.1Confident17 Ų1737.4 Ų37.49%0.08922%0.217CC..Hα-helixtrans-62-41.6174.4-172.467.7000112.5I239 L240 H282 H316 V317 T318 K322 C323 G324I239-L320 HydrophobicContact CB-CD1 4.12Å; I239-L320 HydrophobicContact CG2-CD1 3.51Å; I239-L320 HydrophobicContact CG2-CG 4.08Å; L240-L320 HydrophobicContact CD1-CD1 4.25Å; L240-L320 HydrophobicContact CG-CD1 4.45Å; H282-L320 WeakPolarHBondContact CD2-CD2 3.47Å; H316-L320 PolarHBondContact O-N 2.8Å; V317-L320 WeakPolarHBondContact O-CB 3.4Å; V317-L320 PolarHBondContact O-N 3.01Å; T318-L320 VanDerWaalsContact C-N 3.34Å; L320-K322 VanDerWaalsContact C-N 3.26Å; L320-K322 PolarHBondContact O-N 2.99Å; L320-C323 WeakPolarHBondContact O-CB 3.47Å; L320-C323 PolarHBondContact O-N 3.39Å; L320-G324 PolarHBondContact O-N 3.2Å
321M86.8Confident85.3Confident2 Ų234.6 Ų34.61%0.0121%0.205CC..Hα-helixtrans-62-35.6172.7-75.7-174.2-71.300111.7T285 F299 L306 V317 T318 L319 G324 F325 L329 F330T285-M321 HydrophobicContact CG2-CG 4.13Å; T285-M321 VanDerWaalsContact OG1-CG 3.28Å; T285-M321 WeakPolarHBondContact OG1-CG 3.42Å; F299-M321 HydrophobicContact CD1-SD 4.45Å; F299-M321 HydrophobicContact CG-SD 4.36Å; L306-M321 HydrophobicContact CD1-CE 3.66Å; V317-M321 HydrophobicContact CG1-CE 4.45Å; V317-M321 WeakPolarHBondContact O-CG 3.24Å; V317-M321 PolarHBondContact O-N 3.49Å; T318-M321 PolarHBondContact O-N 3.07Å; L319-M321 PolarHBondContact O-N 3.14Å; M321-G324 PolarHBondContact O-N 3.06Å; M321-F325 PolarHBondContact O-N 3.26Å; M321-L329 HydrophobicContact CB-CD2 4.29Å; M321-F330 HydrophobicContact CB-CE2 4.25Å; M321-F330 HydrophobicContact CB-CZ 4.47Å
322K84.8Confident85Confident0 Ų033 Ų330%021%0.21CC..Hα-helixtrans-66.1-43.6173.4175.464.6-175.2151.30111.1T318 L319 L320 G324 T326 F330 E335 P367T318-K322 PolarHBondContact O-N 3.43Å; L319-K322 CarbonylContact O-C 3.57Å; L319-K322 WeakPolarHBondContact O-CA 3.27Å; L319-K322 WeakPolarHBondContact O-CB 3.36Å; L319-K322 PolarHBondContact O-N 3.12Å; L320-K322 VanDerWaalsContact C-N 3.26Å; L320-K322 PolarHBondContact O-N 2.99Å; K322-G324 VanDerWaalsContact C-N 3.31Å; K322-G324 PolarHBondContact O-N 3.31Å; K322-T326 WeakPolarHBondContact O-CA 3.24Å; K322-T326 WeakPolarHBondContact O-CG2 3.4Å; K322-T326 PolarHBondContact O-N 3.01Å; K322-F330 VanDerWaalsContact CA-CE2 3.43Å; K322-F330 HydrophobicContact CB-CD2 3.97Å; K322-F330 HydrophobicContact CB-CE1 4.49Å; K322-F330 HydrophobicContact CB-CE2 3.67Å; K322-F330 HydrophobicContact CB-CZ 3.95Å; K322-F330 HydrophobicContact CD-CB 3.9Å; K322-F330 HydrophobicContact CD-CD1 4.32Å; K322-F330 HydrophobicContact CD-CD2 3.65Å; K322-F330 HydrophobicContact CD-CE2 4.27Å; K322-F330 HydrophobicContact CD-CG 3.68Å; K322-F330 HydrophobicContact CG-CD2 4.39Å; K322-E335 HydrophobicContact CD-CG 4.16Å; K322-E335 WeakPolarHBondContact CE-OE1 3.4Å; K322-E335 IonicContact NZ-OE1 3.71Å; K322-E335 PolarHBondContact NZ-OE1 3.4Å; K322-E335 IonicContact NZ-OE2 3.06Å; K322-E335 PolarHBondContact NZ-OE2 3.49Å; K322-P367 HydrophobicContact CB-CG 4.15Å; K322-P367 VanDerWaalsContact CE-O 3.29Å; K322-P367 WeakPolarHBondContact CE-O 3.22Å; K322-P367 HydrophobicContact CG-CB 4.44Å; K322-P367 HydrophobicContact CG-CG 3.73Å
323C81.4Confident84.8Confident66 Ų6639.1 Ų39.145%0.44624%0.236SC..Hα-helixtrans-56.9-43.1173-58.50000112.2L319 L320 P367L319-C323 PolarHBondContact O-N 3.1Å; L319-C323 PolarHBondContact O-SG 3.29Å; L320-C323 WeakPolarHBondContact O-CB 3.47Å; L320-C323 PolarHBondContact O-N 3.39Å; C323-P367 HydrophobicContact CB-CB 4.24Å; C323-P367 WeakPolarHBondContact SG-CB 3.37Å; C323-P367 VanDerWaalsContact SG-CG 3.53Å
324G78.2Confident84.6Confident39 Ų3937.5 Ų37.540%0.40222%0.224SC..Hα-helixtrans-77.9-36.6-174.300000115.1L320 M321 K322L320-G324 PolarHBondContact O-N 3.2Å; M321-G324 PolarHBondContact O-N 3.06Å; K322-G324 VanDerWaalsContact C-N 3.31Å; K322-G324 PolarHBondContact O-N 3.31Å
325F81.1Confident84.4Confident21 Ų2138 Ų389%0.09223%0.226CC..Hα-helixtrans-118.9-15.1-170.2-62-52000114.9T285 V288 A289 P296 F299 M321 D327 S328 L329T285-F325 HydrophobicContact CG2-CD2 4.3Å; T285-F325 HydrophobicContact CG2-CE2 3.55Å; T285-F325 HydrophobicContact CG2-CZ 3.99Å; V288-F325 HydrophobicContact CB-CZ 3.82Å; V288-F325 HydrophobicContact CG1-CE1 3.97Å; V288-F325 HydrophobicContact CG1-CE2 4.45Å; V288-F325 HydrophobicContact CG1-CZ 3.64Å; A289-F325 HydrophobicContact CB-CE1 4.28Å; A289-F325 HydrophobicContact CB-CZ 4.42Å; P296-F325 HydrophobicContact CB-CB 4.22Å; P296-F325 HydrophobicContact CB-CD1 3.79Å; P296-F325 HydrophobicContact CB-CD2 3.97Å; P296-F325 HydrophobicContact CB-CE1 4.14Å; P296-F325 HydrophobicContact CB-CE2 4.27Å; P296-F325 HydrophobicContact CB-CG 3.72Å; P296-F325 HydrophobicContact CB-CZ 4.38Å; P296-F325 HydrophobicContact CG-CB 4.45Å; P296-F325 HydrophobicContact CG-CD1 4.12Å; P296-F325 HydrophobicContact CG-CG 4.28Å; F299-F325 HydrophobicContact CD2-CE2 4.2Å; F299-F325 AromaticContact CE2-CE2 3.86Å; F299-F325 HydrophobicContact CE2-CE2 3.86Å; F299-F325 HydrophobicContact CE2-CZ 4.39Å; M321-F325 PolarHBondContact O-N 3.26Å; F325-D327 PolarHBondContact O-N 3.37Å; F325-D327 VanDerWaalsContact O-N 3.12Å; F325-S328 WeakPolarHBondContact CB-OG 3.44Å; F325-S328 WeakPolarHBondContact O-CB 3.29Å; F325-S328 PolarHBondContact O-N 3.42Å; F325-S328 PolarHBondContact O-OG 2.76Å; F325-L329 HydrophobicContact CB-CB 3.84Å; F325-L329 HydrophobicContact CD2-CD2 4.08Å
326T81.3Confident84.1Confident39 Ų3939.9 Ų39.924%0.23924%0.242CC..G310 helixtrans38.3-113.8177.867.40000113.4K322 S328 L329 F330 N369K322-T326 WeakPolarHBondContact O-CA 3.24Å; K322-T326 WeakPolarHBondContact O-CG2 3.4Å; K322-T326 PolarHBondContact O-N 3.01Å; T326-S328 VanDerWaalsContact C-N 3.27Å; T326-S328 PolarHBondContact O-N 2.67Å; T326-L329 PolarHBondContact O-N 3.18Å; T326-F330 WeakPolarHBondContact O-CB 3.47Å; T326-F330 PolarHBondContact O-N 3.37Å; T326-N369 VanDerWaalsContact CB-OD1 3.28Å; T326-N369 WeakPolarHBondContact CB-OD1 3.37Å; T326-N369 VanDerWaalsContact CG2-OD1 3.24Å; T326-N369 WeakPolarHBondContact CG2-OD1 3.48Å; T326-N369 PolarHBondContact OG1-OD1 3.07Å
327D76.4Confident84.1Confident112 Ų11240.4 Ų40.460%0.59924%0.243SC*.G310 helixtrans-72.3-16.6-173.3-61.8-11.2000113.5F325 L329 N369F325-D327 PolarHBondContact O-N 3.37Å; F325-D327 VanDerWaalsContact O-N 3.12Å; D327-L329 VanDerWaalsContact C-N 3.32Å; D327-N369 VanDerWaalsContact CG-ND2 3.3Å; D327-N369 PolarHBondContact OD1-ND2 2.87Å; D327-N369 PolarHBondContact OD2-ND2 3.45Å
328S80.7Confident84Confident64 Ų6439.9 Ų39.945%0.44824%0.24SC..G310 helixtrans-77.7-19.5-179.7690000113.1P296 F325 T326P296-S328 WeakPolarHBondContact CG-OG 3.49Å; F325-S328 WeakPolarHBondContact CB-OG 3.44Å; F325-S328 WeakPolarHBondContact O-CB 3.29Å; F325-S328 PolarHBondContact O-N 3.42Å; F325-S328 PolarHBondContact O-OG 2.76Å; T326-S328 VanDerWaalsContact C-N 3.27Å; T326-S328 PolarHBondContact O-N 2.67Å
329L83.1Confident84Confident5 Ų539.9 Ų39.93%0.02624%0.24CC..THydrogen-bonded Turntrans-119.5-41.4179.1179.458.3000112.9P296 F299 R300 L303 M321 F325 T326 D327P296-L329 HydrophobicContact CB-CB 4.41Å; P296-L329 WeakPolarHBondContact O-CD1 3.32Å; F299-L329 HydrophobicContact CB-CD1 4.13Å; F299-L329 HydrophobicContact CB-CD2 4.21Å; R300-L329 PolarHBondContact NH1-O 2.97Å; L303-L329 HydrophobicContact CD2-CD1 4.08Å; L303-L329 HydrophobicContact CD2-CG 3.98Å; M321-L329 HydrophobicContact CB-CD2 4.29Å; F325-L329 HydrophobicContact CB-CB 3.84Å; F325-L329 HydrophobicContact CD2-CD2 4.08Å; T326-L329 PolarHBondContact O-N 3.18Å; D327-L329 VanDerWaalsContact C-N 3.32Å
330F84.6Confident84Confident7 Ų745 Ų453%0.03126%0.262CS..  trans-98.7136.2-175.8-68.3-95000111.1L303 T318 M321 K322 T326 D334 E335 L338L303-F330 HydrophobicContact CD1-CE1 3.63Å; L303-F330 HydrophobicContact CD1-CZ 3.61Å; L303-F330 HydrophobicContact CD2-CD1 4.14Å; L303-F330 HydrophobicContact CD2-CE1 3.83Å; L303-F330 HydrophobicContact CD2-CZ 4.07Å; L303-F330 HydrophobicContact CG-CE1 4.27Å; L303-F330 HydrophobicContact CG-CZ 4.49Å; T318-F330 HydrophobicContact CG2-CE1 4.2Å; T318-F330 HydrophobicContact CG2-CZ 4.03Å; M321-F330 HydrophobicContact CB-CE2 4.25Å; M321-F330 HydrophobicContact CB-CZ 4.47Å; K322-F330 VanDerWaalsContact CA-CE2 3.43Å; K322-F330 HydrophobicContact CB-CD2 3.97Å; K322-F330 HydrophobicContact CB-CE1 4.49Å; K322-F330 HydrophobicContact CB-CE2 3.67Å; K322-F330 HydrophobicContact CB-CZ 3.95Å; K322-F330 HydrophobicContact CD-CB 3.9Å; K322-F330 HydrophobicContact CD-CD1 4.32Å; K322-F330 HydrophobicContact CD-CD2 3.65Å; K322-F330 HydrophobicContact CD-CE2 4.27Å; K322-F330 HydrophobicContact CD-CG 3.68Å; K322-F330 HydrophobicContact CG-CD2 4.39Å; T326-F330 WeakPolarHBondContact O-CB 3.47Å; T326-F330 PolarHBondContact O-N 3.37Å; F330-D334 HydrophobicContact CD1-CB 4.08Å; F330-E335 HydrophobicContact CB-CG 4.08Å; F330-L338 HydrophobicContact CD1-CD1 3.98Å; F330-L338 HydrophobicContact CE1-CD1 3.54Å; F330-L338 HydrophobicContact CZ-CD1 4.42Å
331S85.6Confident84.1Confident40 Ų4045.7 Ų45.728%0.2826%0.263SS..  trans-89.6161165.267.60000110.5E333 D334 E335S331-E333 PolarHBondContact O-N 2.94Å; S331-E333 VanDerWaalsContact O-N 3.16Å; S331-D334 WeakPolarHBondContact CB-OD2 3.27Å; S331-D334 PolarHBondContact N-OD2 3.36Å; S331-D334 WeakPolarHBondContact O-CB 3.45Å; S331-D334 PolarHBondContact O-N 3.26Å; S331-D334 PolarHBondContact OG-N 2.95Å; S331-D334 PolarHBondContact OG-OD2 3.35Å; S331-E335 PolarHBondContact O-N 2.87Å
332A82.2Confident84.2Confident71 Ų7145.6 Ų45.659%0.58726%0.263SS*.Hα-helixtrans-56.8-30.7174.400000113A336A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.37Å
333E83.7Confident84.5Confident164 Ų16445.8 Ų45.877%0.76626%0.264SS*.Hα-helixtrans-68.7-41174-64.5-177178.700112S331 E335 A336 F337S331-E333 PolarHBondContact O-N 2.94Å; S331-E333 VanDerWaalsContact O-N 3.16Å; E333-E335 VanDerWaalsContact C-N 3.31Å; E333-E335 PolarHBondContact O-N 3.01Å; E333-A336 PolarHBondContact O-N 3.22Å; E333-F337 VanDerWaalsContact O-CB 3.32Å; E333-F337 WeakPolarHBondContact O-CB 3.41Å; E333-F337 PolarHBondContact O-N 3.43Å
334D85.9Confident84.8Confident19 Ų1946.6 Ų46.610%0.10227%0.267CS..Hα-helixtrans-64.3-38.8177.2-60.8-46000110.7R300 F330 S331 F337 L338R300-D334 IonicContact CZ-OD2 3.49Å; R300-D334 IonicContact NH1-OD2 3.7Å; R300-D334 PolarHBondContact NH1-OD2 2.92Å; R300-D334 IonicContact NH2-OD2 3.81Å; F330-D334 HydrophobicContact CD1-CB 4.08Å; S331-D334 WeakPolarHBondContact CB-OD2 3.27Å; S331-D334 PolarHBondContact N-OD2 3.36Å; S331-D334 WeakPolarHBondContact O-CB 3.45Å; S331-D334 PolarHBondContact O-N 3.26Å; S331-D334 PolarHBondContact OG-N 2.95Å; S331-D334 PolarHBondContact OG-OD2 3.35Å; D334-F337 PolarHBondContact O-N 3Å; D334-L338 WeakPolarHBondContact O-CB 3.4Å; D334-L338 WeakPolarHBondContact O-CG 3.38Å; D334-L338 PolarHBondContact O-N 3.38Å
335E85.8Confident85.3Confident16 Ų1645.1 Ų45.18%0.07525%0.249CC..Hα-helixtrans-67.6-48.3177.1-68.3173.1-149.500112.3K322 F330 S331 E333 F337 L338 L339 L384K322-E335 HydrophobicContact CD-CG 4.16Å; K322-E335 WeakPolarHBondContact CE-OE1 3.4Å; K322-E335 IonicContact NZ-OE1 3.71Å; K322-E335 PolarHBondContact NZ-OE1 3.4Å; K322-E335 IonicContact NZ-OE2 3.06Å; K322-E335 PolarHBondContact NZ-OE2 3.49Å; F330-E335 HydrophobicContact CB-CG 4.08Å; S331-E335 PolarHBondContact O-N 2.87Å; E333-E335 VanDerWaalsContact C-N 3.31Å; E333-E335 PolarHBondContact O-N 3.01Å; E335-F337 PolarHBondContact O-N 3.15Å; E335-L338 PolarHBondContact O-N 3.39Å; E335-L339 WeakPolarHBondContact O-CB 3.49Å; E335-L339 PolarHBondContact O-N 3.12Å; E335-L384 HydrophobicContact CB-CD1 3.66Å
336A84.4Confident85.6Confident40 Ų4044.1 Ų44.133%0.33125%0.245SC..Hα-helixtrans-59.7-37.1175.100000111.4A332 E333 K340A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.37Å; E333-A336 PolarHBondContact O-N 3.22Å; A336-K340 VanDerWaalsContact O-CB 3.3Å; A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 PolarHBondContact O-N 2.89Å
337F87.4Confident85.8Confident105 Ų10544.9 Ų44.946%0.46125%0.246SC..Hα-helixtrans-67.6-46.1175.6-176.8-96.5000112.6L307 E333 D334 E335 L339 K340 R341L307-F337 HydrophobicContact CB-CD1 4.29Å; L307-F337 HydrophobicContact CB-CE1 4.03Å; L307-F337 HydrophobicContact CD2-CD1 4.47Å; L307-F337 WeakPolarHBondContact O-CE1 3.37Å; E333-F337 VanDerWaalsContact O-CB 3.32Å; E333-F337 WeakPolarHBondContact O-CB 3.41Å; E333-F337 PolarHBondContact O-N 3.43Å; D334-F337 PolarHBondContact O-N 3Å; E335-F337 PolarHBondContact O-N 3.15Å; F337-L339 VanDerWaalsContact C-N 3.33Å; F337-L339 PolarHBondContact O-N 3.23Å; F337-K340 PolarHBondContact O-N 2.83Å; F337-R341 WeakPolarHBondContact O-CB 3.36Å; F337-R341 PolarHBondContact O-N 2.86Å
338L87.8Confident86.3Confident0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-57.4-46.4175-85.7178.8000111.9L307 L315 T318 F330 D334 E335 R341 L342L307-L338 HydrophobicContact CD2-CD1 4.09Å; L307-L338 HydrophobicContact CD2-CD2 3.35Å; L307-L338 HydrophobicContact CD2-CG 3.46Å; L307-L338 VanDerWaalsContact CD2-CG 3.46Å; L315-L338 HydrophobicContact CD1-CD2 4.27Å; T318-L338 HydrophobicContact CG2-CD1 4.29Å; T318-L338 HydrophobicContact CG2-CD2 4.17Å; F330-L338 HydrophobicContact CD1-CD1 3.98Å; F330-L338 HydrophobicContact CE1-CD1 3.54Å; F330-L338 HydrophobicContact CZ-CD1 4.42Å; D334-L338 WeakPolarHBondContact O-CB 3.4Å; D334-L338 WeakPolarHBondContact O-CG 3.38Å; D334-L338 PolarHBondContact O-N 3.38Å; E335-L338 PolarHBondContact O-N 3.39Å; L338-R341 WeakPolarHBondContact O-CB 3.13Å; L338-R341 PolarHBondContact O-N 3.43Å; L338-R341 VanDerWaalsContact O-N 3.14Å; L338-L342 PolarHBondContact O-N 3.46Å
339L88Confident86.5Confident0 Ų044.8 Ų44.80%024%0.244CC..Hα-helixtrans-64.6-47.5-179.9-174.363.3000111.5E335 F337 R341 L342 V343 I363 P382 L384 L385E335-L339 WeakPolarHBondContact O-CB 3.49Å; E335-L339 PolarHBondContact O-N 3.12Å; F337-L339 VanDerWaalsContact C-N 3.33Å; F337-L339 PolarHBondContact O-N 3.23Å; L339-R341 PolarHBondContact O-N 2.88Å; L339-R341 VanDerWaalsContact O-N 3.16Å; L339-L342 PolarHBondContact O-N 3.4Å; L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 2.87Å; L339-I363 HydrophobicContact CD1-CG1 4.49Å; L339-I363 HydrophobicContact CD1-CG2 3.99Å; L339-P382 HydrophobicContact CD1-CG 3.94Å; L339-P382 HydrophobicContact CD2-CB 4.35Å; L339-P382 HydrophobicContact CD2-CG 4.39Å; L339-L384 VanDerWaalsContact CD2-C 3.45Å; L339-L384 HydrophobicContact CD2-CB 3.8Å; L339-L385 HydrophobicContact CD1-CD1 4.34Å; L339-L385 HydrophobicContact CD2-CB 3.93Å; L339-L385 HydrophobicContact CD2-CD1 4.15Å; L339-L385 HydrophobicContact CG-CD1 4.21Å
340K88.4Confident86.7Confident119 Ų11951.9 Ų51.952%0.51728%0.281SS..Hα-helixtrans-54.8-35.5173.4-178.6177.7-179.6179.90111.5A336 F337 V344 L389A336-K340 VanDerWaalsContact O-CB 3.3Å; A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 PolarHBondContact O-N 2.89Å; F337-K340 PolarHBondContact O-N 2.83Å; K340-V344 WeakPolarHBondContact O-CG2 3.32Å; K340-V344 PolarHBondContact O-N 3.25Å; K340-V344 VanDerWaalsContact O-N 3.15Å; K340-L389 HydrophobicContact CG-CD2 4.2Å
341R88.7Confident86.7Confident31 Ų3153 Ų5312%0.11729%0.287CS..Hα-helixtrans-73.4-43.7180-168168.1-167.7-135.3-7.6113.2L307 G308 T309 N310 F337 L338 L339 V343 V344 L345L307-R341 VanDerWaalsContact O-CD 3.25Å; L307-R341 WeakPolarHBondContact O-CD 3.41Å; L307-R341 VanDerWaalsContact O-CZ 3.23Å; L307-R341 PolarHBondContact O-NE 3.13Å; L307-R341 PolarHBondContact O-NH1 3.12Å; G308-R341 VanDerWaalsContact CA-NH1 3.32Å; G308-R341 PolarHBondContact O-NH2 3.01Å; T309-R341 PolarHBondContact O-NH1 2.87Å; T309-R341 PolarHBondContact O-NH2 2.92Å; N310-R341 PolarHBondContact OD1-NH2 3.21Å; F337-R341 WeakPolarHBondContact O-CB 3.36Å; F337-R341 PolarHBondContact O-N 2.86Å; L338-R341 WeakPolarHBondContact O-CB 3.13Å; L338-R341 PolarHBondContact O-N 3.43Å; L338-R341 VanDerWaalsContact O-N 3.14Å; L339-R341 PolarHBondContact O-N 2.88Å; L339-R341 VanDerWaalsContact O-N 3.16Å; R341-V343 PolarHBondContact O-N 3.41Å; R341-V344 PolarHBondContact O-N 3.08Å; R341-V344 VanDerWaalsContact O-N 3.12Å; R341-L345 HydrophobicContact CG-CD1 4.14Å; R341-L345 HydrophobicContact CG-CG 4.38Å; R341-L345 WeakPolarHBondContact O-CG 3.22Å; R341-L345 PolarHBondContact O-N 3.02Å
342L89.4Confident86.9Confident0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-56.9-41.6172.8-73.4167.9000111.3L315 L319 L338 L339 V344 L345 S346 Y359 C362 I363 F366L315-L342 HydrophobicContact CD2-CD2 3.42Å; L315-L342 VanDerWaalsContact CD2-CD2 3.42Å; L315-L342 HydrophobicContact CD2-CG 4.41Å; L315-L342 HydrophobicContact CG-CD2 4.32Å; L319-L342 HydrophobicContact CD2-CD1 4.27Å; L338-L342 PolarHBondContact O-N 3.46Å; L339-L342 PolarHBondContact O-N 3.4Å; L342-V344 VanDerWaalsContact C-N 3.35Å; L342-V344 PolarHBondContact O-N 3.46Å; L342-L345 PolarHBondContact O-N 3.3Å; L342-S346 WeakPolarHBondContact O-CB 3.45Å; L342-S346 PolarHBondContact O-N 2.69Å; L342-S346 PolarHBondContact O-OG 2.76Å; L342-Y359 HydrophobicContact CD2-CD1 3.87Å; L342-C362 HydrophobicContact CD1-CB 4.46Å; L342-C362 HydrophobicContact CD2-CB 4.08Å; L342-I363 HydrophobicContact CB-CD1 3.96Å; L342-I363 HydrophobicContact CB-CG1 3.64Å; L342-I363 HydrophobicContact CD1-CG1 4.19Å; L342-I363 HydrophobicContact CG-CG1 4.47Å; L342-F366 HydrophobicContact CD1-CD2 4.08Å; L342-F366 HydrophobicContact CD1-CE2 4.32Å
343V89.6Confident87.1Confident4 Ų452.3 Ų52.32%0.02428%0.278CS..Hα-helixtrans-60.3-41.9174.9170.40000111.9L339 R341 S346 Q347 I363 L385 L389 V392 L393L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 2.87Å; R341-V343 PolarHBondContact O-N 3.41Å; V343-S346 PolarHBondContact O-OG 3.44Å; V343-Q347 PolarHBondContact O-NE2 3.37Å; V343-I363 HydrophobicContact CG2-CD1 4.17Å; V343-L385 HydrophobicContact CG2-CD1 3.96Å; V343-L389 WeakPolarHBondContact CG1-O 3.44Å; V343-V392 HydrophobicContact CG1-CB 4.25Å; V343-L393 HydrophobicContact CG1-CD1 4.27Å; V343-L393 HydrophobicContact CG1-CD2 4.23Å; V343-L393 HydrophobicContact CG1-CG 3.99Å; V343-L393 HydrophobicContact CG2-CD1 4.13Å
344V88.9Confident87.4Confident83 Ų8348.8 Ų48.850%0.50327%0.269SS..Hα-helixtrans-70.4-42.3177.2171.90000111.6K340 R341 L342 Q347 H348K340-V344 WeakPolarHBondContact O-CG2 3.32Å; K340-V344 PolarHBondContact O-N 3.25Å; K340-V344 VanDerWaalsContact O-N 3.15Å; R341-V344 PolarHBondContact O-N 3.08Å; R341-V344 VanDerWaalsContact O-N 3.12Å; L342-V344 VanDerWaalsContact C-N 3.35Å; L342-V344 PolarHBondContact O-N 3.46Å; V344-Q347 PolarHBondContact O-N 3.43Å; V344-H348 PolarHBondContact O-N 3.08Å
345L88.1Confident87.6Confident7 Ų750.9 Ų50.94%0.03728%0.279CS..Hα-helixtrans-67.8-38.8-177.9-70.8174.8000112.2L315 R341 L342 Q347 H348 L351 Y359L315-L345 HydrophobicContact CD2-CD1 3.89Å; R341-L345 HydrophobicContact CG-CD1 4.14Å; R341-L345 HydrophobicContact CG-CG 4.38Å; R341-L345 WeakPolarHBondContact O-CG 3.22Å; R341-L345 PolarHBondContact O-N 3.02Å; L342-L345 PolarHBondContact O-N 3.3Å; L345-Q347 PolarHBondContact O-N 3.22Å; L345-H348 PolarHBondContact O-N 3.48Å; L345-H348 VanDerWaalsContact O-N 3.08Å; L345-L351 HydrophobicContact CB-CD1 4.45Å; L345-L351 HydrophobicContact CD2-CD1 4.42Å; L345-L351 VanDerWaalsContact O-CD1 3.29Å; L345-L351 WeakPolarHBondContact O-CD1 3.42Å; L345-Y359 HydrophobicContact CB-CD2 3.69Å; L345-Y359 HydrophobicContact CB-CE2 3.77Å; L345-Y359 HydrophobicContact CB-CG 4.19Å; L345-Y359 HydrophobicContact CD1-CE1 4.36Å; L345-Y359 HydrophobicContact CD1-CE2 4.34Å
346S87.9Confident87.7Confident0 Ų051.6 Ų51.60%028%0.282CS..THydrogen-bonded Turntrans-61.4-10.5175.956.20000114.4L342 V343 L393 R407L342-S346 WeakPolarHBondContact O-CB 3.45Å; L342-S346 PolarHBondContact O-N 2.69Å; L342-S346 PolarHBondContact O-OG 2.76Å; V343-S346 PolarHBondContact O-OG 3.44Å; S346-L393 WeakPolarHBondContact OG-CD2 3.17Å; S346-R407 PolarHBondContact O-NH2 3.46Å
347Q85.8Confident88Confident56 Ų5652.3 Ų52.326%0.26228%0.279SS..THydrogen-bonded Turntrans-111.9-9.3176.4-62.9172.236.400114.7V343 V344 L345 V392 L393V343-Q347 PolarHBondContact O-NE2 3.37Å; V344-Q347 PolarHBondContact O-N 3.43Å; L345-Q347 PolarHBondContact O-N 3.22Å; Q347-V392 VanDerWaalsContact CD-CG1 3.5Å; Q347-V392 VanDerWaalsContact NE2-CB 3.27Å; Q347-V392 PolarHBondContact NE2-O 3.02Å; Q347-V392 PolarHBondContact OE1-O 3.17Å; Q347-L393 HydrophobicContact CG-CD2 3.8Å
348H87.1Confident88.1Confident64 Ų6449.9 Ų49.930%0.29627%0.269SS..  trans-61.6126.6-169.5-170-90000111V344 L345 L350 L351 K356V344-H348 PolarHBondContact O-N 3.08Å; L345-H348 PolarHBondContact O-N 3.48Å; L345-H348 VanDerWaalsContact O-N 3.08Å; H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact ND1-N 2.98Å; H348-L350 PolarHBondContact O-N 3.27Å; H348-L351 HydrophobicContact CB-CD1 3.85Å; H348-L351 HydrophobicContact CB-CG 3.99Å; H348-L351 PolarHBondContact O-N 3.37Å; H348-K356 WeakPolarHBondContact O-CE 3.41Å
349P84.1Confident88.2Confident110 Ų11049.9 Ų49.971%0.71427%0.269SS*.THydrogen-bonded Turntrans-67.7-27.8-169.924.8-34.2000113.3L351P349-L351 VanDerWaalsContact C-N 3.28Å; P349-L351 PolarHBondContact O-N 3.36Å
350L86.4Confident88.2Confident153 Ų15350 Ų5080%0.80127%0.269SS*.THydrogen-bonded Turntrans-78.2-9.9179.4-54.6-178000113.9H348H348-L350 VanDerWaalsContact C-N 3.29Å; H348-L350 PolarHBondContact ND1-N 2.98Å; H348-L350 PolarHBondContact O-N 3.27Å
351L86.4Confident88.1Confident30 Ų3048 Ų4816%0.15727%0.265CS..SBendtrans-86.5147.7-179.6-66.4-179.1000111.6L345 H348 P349 E355 K356 Y359L345-L351 HydrophobicContact CB-CD1 4.45Å; L345-L351 HydrophobicContact CD2-CD1 4.42Å; L345-L351 VanDerWaalsContact O-CD1 3.29Å; L345-L351 WeakPolarHBondContact O-CD1 3.42Å; H348-L351 HydrophobicContact CB-CD1 3.85Å; H348-L351 HydrophobicContact CB-CG 3.99Å; H348-L351 PolarHBondContact O-N 3.37Å; P349-L351 VanDerWaalsContact C-N 3.28Å; P349-L351 PolarHBondContact O-N 3.36Å; L351-E355 HydrophobicContact CB-CB 4.45Å; L351-K356 HydrophobicContact CB-CG 4.29Å; L351-K356 WeakPolarHBondContact O-CE 3.49Å; L351-K356 PolarHBondContact O-NZ 3.16Å; L351-Y359 HydrophobicContact CD1-CD2 4.19Å; L351-Y359 HydrophobicContact CD1-CE2 3.63Å
352S89.2Confident88Confident54 Ų5447.2 Ų47.238%0.37826%0.263SS..  trans-72.2158.5176.767.40000111.7E355 K356S352-E355 WeakPolarHBondContact CB-OE2 3.39Å; S352-E355 PolarHBondContact N-OE2 3.11Å; S352-E355 PolarHBondContact O-N 2.97Å; S352-E355 VanDerWaalsContact OG-CG 3.22Å; S352-E355 WeakPolarHBondContact OG-CG 3.16Å; S352-E355 PolarHBondContact OG-OE2 3.17Å; S352-K356 WeakPolarHBondContact O-CG 3.35Å; S352-K356 PolarHBondContact O-N 3.42Å; S352-K356 VanDerWaalsContact O-N 3.08Å
353S87Confident88Confident43 Ų4347.2 Ų47.230%0.30126%0.263SS..Hα-helixtrans-58.7-41.1178.1-40.60000113.2E355 K356 L357 D400S353-E355 PolarHBondContact O-N 3.45Å; S353-K356 PolarHBondContact O-N 3.33Å; S353-L357 WeakPolarHBondContact O-CG 3.28Å; S353-L357 PolarHBondContact O-N 3.42Å; S353-D400 VanDerWaalsContact CB-OD2 3.29Å; S353-D400 WeakPolarHBondContact CB-OD2 3.19Å; S353-D400 PolarHBondContact OG-OD2 2.92Å
354P89.8Confident87.6Confident90 Ų9048.1 Ų48.158%0.58427%0.268SS*.Hα-helixtrans-60.7-41.1174.9-24.735.4000113.5L357 F358P354-L357 PolarHBondContact O-N 2.94Å; P354-F358 WeakPolarHBondContact O-CB 3.19Å; P354-F358 PolarHBondContact O-N 3.05Å
355E88.8Confident87.2Confident63 Ų6349.7 Ų49.729%0.29427%0.27SS..Hα-helixtrans-66.2-40177.6-66.7166.4141.900111.4V312 L351 S352 S353 F358 Y359V312-E355 HydrophobicContact CG2-CB 4.49Å; V312-E355 HydrophobicContact CG2-CG 3.99Å; L351-E355 HydrophobicContact CB-CB 4.45Å; S352-E355 WeakPolarHBondContact CB-OE2 3.39Å; S352-E355 PolarHBondContact N-OE2 3.11Å; S352-E355 PolarHBondContact O-N 2.97Å; S352-E355 VanDerWaalsContact OG-CG 3.22Å; S352-E355 WeakPolarHBondContact OG-CG 3.16Å; S352-E355 PolarHBondContact OG-OE2 3.17Å; S353-E355 PolarHBondContact O-N 3.45Å; E355-F358 PolarHBondContact O-N 2.83Å; E355-Y359 HydrophobicContact CB-CE2 4.44Å; E355-Y359 WeakPolarHBondContact O-CD2 3.49Å; E355-Y359 PolarHBondContact O-N 3.13Å
356K89.5Confident87Confident32 Ų3249.9 Ų49.914%0.13927%0.27CS..Hα-helixtrans-62.8-43.5175-69169.7-177.1155.70111.4H348 L351 S352 S353 Y359 M360 T403H348-K356 WeakPolarHBondContact O-CE 3.41Å; L351-K356 HydrophobicContact CB-CG 4.29Å; L351-K356 WeakPolarHBondContact O-CE 3.49Å; L351-K356 PolarHBondContact O-NZ 3.16Å; S352-K356 WeakPolarHBondContact O-CG 3.35Å; S352-K356 PolarHBondContact O-N 3.42Å; S352-K356 VanDerWaalsContact O-N 3.08Å; S353-K356 PolarHBondContact O-N 3.33Å; K356-Y359 PolarHBondContact O-N 3.35Å; K356-M360 VanDerWaalsContact O-CG 3.29Å; K356-M360 WeakPolarHBondContact O-CG 3.42Å; K356-M360 PolarHBondContact O-N 2.96Å; K356-T403 HydrophobicContact CB-CG2 4.3Å
357L89.4Confident86.3Confident54 Ų5451.1 Ų51.128%0.28328%0.278SS..Hα-helixtrans-62.9-44175.9-72.6172.7000111.5S353 P354 Y359 M360 D361 A402 T403S353-L357 WeakPolarHBondContact O-CG 3.28Å; S353-L357 PolarHBondContact O-N 3.42Å; P354-L357 PolarHBondContact O-N 2.94Å; L357-Y359 VanDerWaalsContact C-N 3.32Å; L357-Y359 PolarHBondContact O-N 2.92Å; L357-M360 WeakPolarHBondContact O-CB 3.49Å; L357-M360 PolarHBondContact O-N 3.06Å; L357-M360 VanDerWaalsContact O-N 3.14Å; L357-D361 WeakPolarHBondContact O-CB 3.35Å; L357-D361 PolarHBondContact O-N 3.48Å; L357-A402 HydrophobicContact CD1-CB 3.86Å; L357-A402 HydrophobicContact CD2-CB 4.17Å; L357-T403 HydrophobicContact CD2-CG2 3.97Å; L357-T403 HydrophobicContact CG-CG2 3.97Å
358F90.3Very high85.6Confident55 Ų5550 Ų5024%0.24127%0.273CS..Hα-helixtrans-56.9-45.3175173.7-96.3000111.7V312 H316 P354 E355 M360 D361 C362V312-F358 HydrophobicContact CG1-CD1 3.53Å; V312-F358 HydrophobicContact CG1-CE1 3.46Å; V312-F358 VanDerWaalsContact CG1-CE1 3.46Å; V312-F358 HydrophobicContact CG1-CG 4.24Å; V312-F358 HydrophobicContact CG1-CZ 4.12Å; H316-F358 HydrophobicContact CB-CE1 4.45Å; H316-F358 HydrophobicContact CB-CZ 3.83Å; H316-F358 AromaticContact CD2-CZ 3.7Å; H316-F358 AromaticContact CG-CZ 3.79Å; P354-F358 WeakPolarHBondContact O-CB 3.19Å; P354-F358 PolarHBondContact O-N 3.05Å; E355-F358 PolarHBondContact O-N 2.83Å; F358-M360 VanDerWaalsContact C-N 3.35Å; F358-M360 PolarHBondContact O-N 3.4Å; F358-D361 PolarHBondContact O-N 3.21Å; F358-C362 WeakPolarHBondContact CE1-SG 3.41Å; F358-C362 WeakPolarHBondContact CZ-SG 3.37Å; F358-C362 PolarHBondContact O-N 3.27Å; F358-C362 PolarHBondContact O-SG 2.74Å
359Y89.6Confident84.3Confident0 Ų050.8 Ų50.80%028%0.28CS..Hα-helixtrans-67.3-33.9177-64.5-43.5000113.2N310 V312 L315 L342 L345 L351 E355 K356 L357 C362 I363N310-Y359 PolarHBondContact O-OH 3.09Å; V312-Y359 VanDerWaalsContact CG2-OH 3.32Å; V312-Y359 WeakPolarHBondContact CG2-OH 3.25Å; L315-Y359 HydrophobicContact CD2-CD1 3.7Å; L315-Y359 HydrophobicContact CD2-CE1 3.29Å; L342-Y359 HydrophobicContact CD2-CD1 3.87Å; L345-Y359 HydrophobicContact CB-CD2 3.69Å; L345-Y359 HydrophobicContact CB-CE2 3.77Å; L345-Y359 HydrophobicContact CB-CG 4.19Å; L345-Y359 HydrophobicContact CD1-CE1 4.36Å; L345-Y359 HydrophobicContact CD1-CE2 4.34Å; L351-Y359 HydrophobicContact CD1-CD2 4.19Å; L351-Y359 HydrophobicContact CD1-CE2 3.63Å; E355-Y359 HydrophobicContact CB-CE2 4.44Å; E355-Y359 WeakPolarHBondContact O-CD2 3.49Å; E355-Y359 PolarHBondContact O-N 3.13Å; K356-Y359 PolarHBondContact O-N 3.35Å; L357-Y359 VanDerWaalsContact C-N 3.32Å; L357-Y359 PolarHBondContact O-N 2.92Å; Y359-C362 PolarHBondContact O-N 3.4Å; Y359-I363 VanDerWaalsContact O-CG1 3.26Å; Y359-I363 WeakPolarHBondContact O-CG1 3.45Å; Y359-I363 PolarHBondContact O-N 3.09Å
360M87.1Confident83.1Confident2 Ų249.2 Ų49.21%0.0126%0.259CS..Hα-helixtrans-65.7-42.8173.6-70.5-63.6-58.900111.5K356 L357 F358 C362 I363 L364 L393 R407 L410K356-M360 VanDerWaalsContact O-CG 3.29Å; K356-M360 WeakPolarHBondContact O-CG 3.42Å; K356-M360 PolarHBondContact O-N 2.96Å; L357-M360 WeakPolarHBondContact O-CB 3.49Å; L357-M360 PolarHBondContact O-N 3.06Å; L357-M360 VanDerWaalsContact O-N 3.14Å; F358-M360 VanDerWaalsContact C-N 3.35Å; F358-M360 PolarHBondContact O-N 3.4Å; M360-C362 VanDerWaalsContact C-N 3.34Å; M360-I363 PolarHBondContact O-N 2.85Å; M360-I363 VanDerWaalsContact O-N 3.11Å; M360-I363 HydrophobicContact SD-CD1 4.4Å; M360-L364 PolarHBondContact O-N 3.41Å; M360-L393 HydrophobicContact CE-CD1 4.41Å; M360-L393 HydrophobicContact SD-CD1 4.22Å; M360-L393 HydrophobicContact SD-CD2 4Å; M360-R407 HydrophobicContact CE-CB 4.32Å; M360-R407 HydrophobicContact CE-CG 3.75Å; M360-R407 HydrophobicContact SD-CG 4.07Å; M360-L410 HydrophobicContact CE-CB 3.86Å; M360-L410 HydrophobicContact CE-CD1 3.63Å; M360-L410 HydrophobicContact CE-CG 4.23Å
361D87.4Confident81.3Confident78 Ų7846.6 Ų46.642%0.41725%0.251SS..Hα-helixtrans-62.5-41.9176.2-169.931.1000111.6L357 F358 I363 L364 H365L357-D361 WeakPolarHBondContact O-CB 3.35Å; L357-D361 PolarHBondContact O-N 3.48Å; F358-D361 PolarHBondContact O-N 3.21Å; D361-I363 PolarHBondContact O-N 3.11Å; D361-L364 PolarHBondContact O-N 2.95Å; D361-H365 PolarHBondContact O-N 3.03Å; D361-H365 PolarHBondContact O-ND1 3.36Å; D361-H365 IonicContact OD1-CE1 3.28Å; D361-H365 PolarHBondContact OD1-CE1 3.48Å; D361-H365 IonicContact OD1-ND1 3.99Å; D361-H365 PolarHBondContact OD1-ND1 3.24Å
362C87.3Confident79.4Confident13 Ų1353.8 Ų53.89%0.08829%0.288CS..Hα-helixtrans-61.3-28.3172.9-68.80000113.8L319 L342 F358 Y359 M360 F366L319-C362 HydrophobicContact CD1-CB 3.71Å; L342-C362 HydrophobicContact CD1-CB 4.46Å; L342-C362 HydrophobicContact CD2-CB 4.08Å; F358-C362 WeakPolarHBondContact CE1-SG 3.41Å; F358-C362 WeakPolarHBondContact CZ-SG 3.37Å; F358-C362 PolarHBondContact O-N 3.27Å; F358-C362 PolarHBondContact O-SG 2.74Å; Y359-C362 PolarHBondContact O-N 3.4Å; M360-C362 VanDerWaalsContact C-N 3.34Å; C362-F366 WeakPolarHBondContact O-CA 3.31Å; C362-F366 PolarHBondContact O-N 3.45Å
363I87.5Confident77Confident0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-77.8-42.4175.8-62.6161.7000110.1L339 L342 V343 Y359 M360 D361 H365 F366 P382 L385 L393 L410L339-I363 HydrophobicContact CD1-CG1 4.49Å; L339-I363 HydrophobicContact CD1-CG2 3.99Å; L342-I363 HydrophobicContact CB-CD1 3.96Å; L342-I363 HydrophobicContact CB-CG1 3.64Å; L342-I363 HydrophobicContact CD1-CG1 4.19Å; L342-I363 HydrophobicContact CG-CG1 4.47Å; V343-I363 HydrophobicContact CG2-CD1 4.17Å; Y359-I363 VanDerWaalsContact O-CG1 3.26Å; Y359-I363 WeakPolarHBondContact O-CG1 3.45Å; Y359-I363 PolarHBondContact O-N 3.09Å; M360-I363 PolarHBondContact O-N 2.85Å; M360-I363 VanDerWaalsContact O-N 3.11Å; M360-I363 HydrophobicContact SD-CD1 4.4Å; D361-I363 PolarHBondContact O-N 3.11Å; I363-H365 VanDerWaalsContact C-N 3.33Å; I363-H365 PolarHBondContact O-N 3.45Å; I363-F366 WeakPolarHBondContact O-CB 3.43Å; I363-F366 PolarHBondContact O-N 3.49Å; I363-P382 HydrophobicContact CG2-CG 4.08Å; I363-P382 WeakPolarHBondContact O-CD 3.39Å; I363-P382 VanDerWaalsContact O-CG 3.31Å; I363-P382 WeakPolarHBondContact O-CG 3.36Å; I363-L385 HydrophobicContact CG2-CD2 4.1Å; I363-L393 HydrophobicContact CD1-CD1 4.29Å; I363-L410 HydrophobicContact CB-CD1 3.99Å; I363-L410 HydrophobicContact CG2-CD1 3.6Å
364L82.3Confident74.9Confident23 Ų2357.6 Ų57.612%0.1231%0.314CS..Hα-helixtrans-62.4-41.8177.5-70.2173000111.6M360 D361 L410 L413M360-L364 PolarHBondContact O-N 3.41Å; D361-L364 PolarHBondContact O-N 2.95Å; L364-L410 HydrophobicContact CD2-CB 4.03Å; L364-L410 HydrophobicContact CD2-CD1 4.02Å; L364-L410 HydrophobicContact CD2-CG 4.14Å; L364-L410 HydrophobicContact CG-CD1 4.27Å; L364-L413 HydrophobicContact CD2-CD1 3.95Å
365H80.5Confident72.6Confident117 Ų11755.7 Ų55.754%0.54231%0.311SS..THydrogen-bonded Turntrans-100.731.7-179.7-57.6100.8000112.6D361 I363D361-H365 PolarHBondContact O-N 3.03Å; D361-H365 PolarHBondContact O-ND1 3.36Å; D361-H365 IonicContact OD1-CE1 3.28Å; D361-H365 PolarHBondContact OD1-CE1 3.48Å; D361-H365 IonicContact OD1-ND1 3.99Å; D361-H365 PolarHBondContact OD1-ND1 3.24Å; I363-H365 VanDerWaalsContact C-N 3.33Å; I363-H365 PolarHBondContact O-N 3.45Å
366F83.9Confident70.5Confident11 Ų1161.1 Ų61.15%0.04834%0.342CS..  trans-63.9128-177.6-173.6-103.6000110.4L319 L342 C362 I363 E368 P382L319-F366 HydrophobicContact CD2-CD2 3.93Å; L319-F366 HydrophobicContact CD2-CE2 3.71Å; L342-F366 HydrophobicContact CD1-CD2 4.08Å; L342-F366 HydrophobicContact CD1-CE2 4.32Å; C362-F366 WeakPolarHBondContact O-CA 3.31Å; C362-F366 PolarHBondContact O-N 3.45Å; I363-F366 WeakPolarHBondContact O-CB 3.43Å; I363-F366 PolarHBondContact O-N 3.49Å; F366-E368 VanDerWaalsContact C-N 3.35Å; F366-E368 HydrophobicContact CD1-CG 3.75Å; F366-E368 HydrophobicContact CE1-CG 4.01Å; F366-E368 PolarHBondContact O-N 2.85Å; F366-P382 HydrophobicContact CB-CB 4.18Å; F366-P382 HydrophobicContact CB-CG 3.99Å; F366-P382 HydrophobicContact CD1-CB 4.12Å
367P73.4Confident68.1Low26 Ų2665.4 Ų65.417%0.16937%0.374CS..  trans-74.183.9-174.629.4-36.7000112.2K322 C323K322-P367 HydrophobicContact CB-CG 4.15Å; K322-P367 VanDerWaalsContact CE-O 3.29Å; K322-P367 WeakPolarHBondContact CE-O 3.22Å; K322-P367 HydrophobicContact CG-CB 4.44Å; K322-P367 HydrophobicContact CG-CG 3.73Å; C323-P367 HydrophobicContact CB-CB 4.24Å; C323-P367 WeakPolarHBondContact SG-CB 3.37Å; C323-P367 VanDerWaalsContact SG-CG 3.53Å
368E71.1Confident66.5Low31 Ų3168.9 Ų68.915%0.14539%0.393CS..  trans-94.6151.2171.6-90170.5-17400112F366 R370 P382 V383 L384F366-E368 VanDerWaalsContact C-N 3.35Å; F366-E368 HydrophobicContact CD1-CG 3.75Å; F366-E368 HydrophobicContact CE1-CG 4.01Å; F366-E368 PolarHBondContact O-N 2.85Å; E368-R370 HydrophobicContact CB-CG 4.42Å; E368-R370 PolarHBondContact O-N 3.49Å; E368-P382 VanDerWaalsContact CD-CB 3.48Å; E368-P382 WeakPolarHBondContact OE1-CA 3.33Å; E368-P382 WeakPolarHBondContact OE1-CB 3.5Å; E368-P382 VanDerWaalsContact OE2-CA 3.25Å; E368-P382 WeakPolarHBondContact OE2-CA 3.35Å; E368-V383 VanDerWaalsContact CD-N 3.26Å; E368-V383 PolarHBondContact OE1-N 3.3Å; E368-V383 PolarHBondContact OE2-N 3.26Å; E368-L384 PolarHBondContact OE1-N 3.36Å
369N60.4Low65.2Low82 Ų8270.9 Ų70.944%0.43940%0.404SS..  trans-73.772.3170.9-60.5-42.2000109.5T326 D327T326-N369 VanDerWaalsContact CB-OD1 3.28Å; T326-N369 WeakPolarHBondContact CB-OD1 3.37Å; T326-N369 VanDerWaalsContact CG2-OD1 3.24Å; T326-N369 WeakPolarHBondContact CG2-OD1 3.48Å; T326-N369 PolarHBondContact OG1-OD1 3.07Å; D327-N369 VanDerWaalsContact CG-ND2 3.3Å; D327-N369 PolarHBondContact OD1-ND2 2.87Å; D327-N369 PolarHBondContact OD2-ND2 3.45Å
370R57.2Low64Low77 Ų7772 Ų7229%0.29141%0.413SS..  trans-72.9143.1171.6-70.1-169.4-176.6165.76.6109.9E368 A380 P381E368-R370 HydrophobicContact CB-CG 4.42Å; E368-R370 PolarHBondContact O-N 3.49Å; R370-A380 VanDerWaalsContact NH2-C 3.25Å; R370-A380 PolarHBondContact NH2-O 3Å; R370-P381 PolarHBondContact NH2-O 3.38Å
371P49Very low63.3Low97 Ų9772.1 Ų72.163%0.6341%0.413SS*.  trans-59.9141.916825.1-31000109.6S373 C374P371-S373 PolarHBondContact O-N 3.37Å; P371-C374 PolarHBondContact O-N 2.89Å
372I47.7Very low62.6Low182 Ų18268.4 Ų68.493%0.93339%0.394SS*.THydrogen-bonded Turntrans-57.61.9-173.2-57.1158.8000113.9
373S38.3Very low61.9Low108 Ų10873.3 Ų73.376%0.75542%0.423SS*.THydrogen-bonded Turntrans-95.2-3.8-177.678.70000115.4P371P371-S373 PolarHBondContact O-N 3.37Å
374C41.7Very low61.1Low68 Ų6876 Ų7646%0.45944%0.437SS..SBendtrans-85.6113.7166.2-83.70000107.8P371P371-C374 PolarHBondContact O-N 2.89Å
375G42.2Very low61Low51 Ų5175.3 Ų75.353%0.52643%0.433SS..  trans-60.3145.4173.700000110.4C377 D378G375-C377 PolarHBondContact O-N 3.28Å; G375-D378 PolarHBondContact O-N 3.42Å
376D44.2Very low60.9Low176 Ų17672.9 Ų72.994%0.94143%0.427SS*.THydrogen-bonded Turntrans-58.63.5-179.2-63-45000114.7
377C40.5Very low60.4Low122 Ų12274.3 Ų74.382%0.82444%0.437SS*.THydrogen-bonded Turntrans-104.3-14.7-177-69.70000115.2G375G375-C377 PolarHBondContact O-N 3.28Å
378D55Low60.6Low128 Ų12883.5 Ų83.568%0.68447%0.469SS*.  trans-95.3104.2-179.7-74.6-19.2000110.5G375 A380G375-D378 PolarHBondContact O-N 3.42Å; D378-A380 PolarHBondContact O-N 2.93Å
379E62.4Low61.1Low97 Ų9784.3 Ų84.345%0.45347%0.474SS..  trans-58.7104.5167.7-70.9-177.9-172.900108.6N409 L413E379-N409 PolarHBondContact OE2-ND2 2.82Å; E379-L413 HydrophobicContact CB-CD1 4.17Å; E379-L413 WeakPolarHBondContact O-CD2 3.43Å
380A65.6Low62.1Low24 Ų2480.4 Ų80.420%0.19845%0.453CS..  trans-118.6149172.300000109.2R370 D378R370-A380 VanDerWaalsContact NH2-C 3.25Å; R370-A380 PolarHBondContact NH2-O 3Å; D378-A380 PolarHBondContact O-N 2.93Å
381P71.8Confident63.3Low3 Ų379.4 Ų79.42%0.01946%0.457CS..  trans-71.2159.9177.333.3-34000111.1R370 L385 L413 V414 E417R370-P381 PolarHBondContact NH2-O 3.38Å; P381-L385 HydrophobicContact CB-CD2 4.28Å; P381-L413 HydrophobicContact CG-CB 4.28Å; P381-V414 HydrophobicContact CB-CG2 3.96Å; P381-V414 HydrophobicContact CG-CG2 4.36Å; P381-E417 VanDerWaalsContact CD-OE1 3.22Å; P381-E417 WeakPolarHBondContact CD-OE1 3.45Å; P381-E417 HydrophobicContact CG-CG 4.02Å; P381-E417 WeakPolarHBondContact CG-OE1 3.25Å; P381-E417 VanDerWaalsContact CG-OE2 3.31Å; P381-E417 WeakPolarHBondContact CG-OE2 3.28Å
382P72.2Confident64.9Low1 Ų178.4 Ų78.41%0.00645%0.449CS..  trans-65.2139174.55-2.3000111.7L339 I363 F366 E368 L384 L385L339-P382 HydrophobicContact CD1-CG 3.94Å; L339-P382 HydrophobicContact CD2-CB 4.35Å; L339-P382 HydrophobicContact CD2-CG 4.39Å; I363-P382 HydrophobicContact CG2-CG 4.08Å; I363-P382 WeakPolarHBondContact O-CD 3.39Å; I363-P382 VanDerWaalsContact O-CG 3.31Å; I363-P382 WeakPolarHBondContact O-CG 3.36Å; F366-P382 HydrophobicContact CB-CB 4.18Å; F366-P382 HydrophobicContact CB-CG 3.99Å; F366-P382 HydrophobicContact CD1-CB 4.12Å; E368-P382 VanDerWaalsContact CD-CB 3.48Å; E368-P382 WeakPolarHBondContact OE1-CA 3.33Å; E368-P382 WeakPolarHBondContact OE1-CB 3.5Å; E368-P382 VanDerWaalsContact OE2-CA 3.25Å; E368-P382 WeakPolarHBondContact OE2-CA 3.35Å; P382-L384 PolarHBondContact O-N 2.9Å; P382-L385 HydrophobicContact CB-CB 4.29Å; P382-L385 HydrophobicContact CG-CB 3.92Å; P382-L385 HydrophobicContact CG-CD2 4.35Å; P382-L385 WeakPolarHBondContact O-CA 3.39Å; P382-L385 WeakPolarHBondContact O-CB 3.22Å; P382-L385 PolarHBondContact O-N 3.13Å
383V72.1Confident66.6Low115 Ų11569.7 Ų69.770%0.69741%0.405SS*.THydrogen-bonded Turntrans-57.3-34.5179.11780000111.8E368 L385E368-V383 VanDerWaalsContact CD-N 3.26Å; E368-V383 PolarHBondContact OE1-N 3.3Å; E368-V383 PolarHBondContact OE2-N 3.26Å; V383-L385 PolarHBondContact O-N 3.11Å
384L72.1Confident68.7Low58 Ų5866.8 Ų66.830%0.30438%0.38SS..THydrogen-bonded Turntrans-77.6-8.1177.9-64.9177.7000113.1E335 L339 E368 P382 T386E335-L384 HydrophobicContact CB-CD1 3.66Å; L339-L384 VanDerWaalsContact CD2-C 3.45Å; L339-L384 HydrophobicContact CD2-CB 3.8Å; E368-L384 PolarHBondContact OE1-N 3.36Å; P382-L384 PolarHBondContact O-N 2.9Å; L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 3.42Å
385L79.5Confident70.7Confident7 Ų763.5 Ų63.54%0.03736%0.359CS..  trans-78.381.2178.4-169.465.7000110.5L339 V343 I363 P381 P382 V383 L389 A390 L410 V414L339-L385 HydrophobicContact CD1-CD1 4.34Å; L339-L385 HydrophobicContact CD2-CB 3.93Å; L339-L385 HydrophobicContact CD2-CD1 4.15Å; L339-L385 HydrophobicContact CG-CD1 4.21Å; V343-L385 HydrophobicContact CG2-CD1 3.96Å; I363-L385 HydrophobicContact CG2-CD2 4.1Å; P381-L385 HydrophobicContact CB-CD2 4.28Å; P382-L385 HydrophobicContact CB-CB 4.29Å; P382-L385 HydrophobicContact CG-CB 3.92Å; P382-L385 HydrophobicContact CG-CD2 4.35Å; P382-L385 WeakPolarHBondContact O-CA 3.39Å; P382-L385 WeakPolarHBondContact O-CB 3.22Å; P382-L385 PolarHBondContact O-N 3.13Å; V383-L385 PolarHBondContact O-N 3.11Å; L385-L389 HydrophobicContact CD1-CB 4.41Å; L385-A390 HydrophobicContact CG-CB 4.35Å; L385-L410 HydrophobicContact CD2-CD2 4Å; L385-L410 HydrophobicContact CD2-CG 4.46Å; L385-V414 HydrophobicContact CD2-CG2 3.63Å; L385-V414 HydrophobicContact CG-CG2 4.31Å
386T78.1Confident72.6Confident67 Ų6763 Ų6341%0.41135%0.347SS..  trans-62.9145.7175.462.60000111.3L384 R388 L389 A390L384-T386 VanDerWaalsContact C-N 3.32Å; L384-T386 PolarHBondContact O-N 3.42Å; T386-R388 PolarHBondContact O-N 2.92Å; T386-L389 WeakPolarHBondContact O-CA 3.48Å; T386-L389 WeakPolarHBondContact O-CB 3.28Å; T386-L389 PolarHBondContact O-N 2.85Å; T386-L389 WeakPolarHBondContact OG1-CG 3.48Å; T386-L389 PolarHBondContact OG1-N 3.01Å; T386-A390 PolarHBondContact O-N 3.06Å
387P74.5Confident74.2Confident40 Ų4057.5 Ų57.526%0.2632%0.32SS..Hα-helixtrans-53.4-30.4175.6-29.635.9000113.8A390 S391 V414 E418P387-A390 PolarHBondContact O-N 2.87Å; P387-S391 PolarHBondContact O-N 3.14Å; P387-V414 HydrophobicContact CB-CG1 4.14Å; P387-V414 HydrophobicContact CG-CG1 3.99Å; P387-E418 HydrophobicContact CB-CG 4.3Å; P387-E418 WeakPolarHBondContact CB-OE1 3.42Å; P387-E418 VanDerWaalsContact CG-CD 3.43Å; P387-E418 HydrophobicContact CG-CG 3.56Å; P387-E418 WeakPolarHBondContact CG-OE1 3.32Å
388R78.3Confident76.1Confident220 Ų22061 Ų6183%0.8332%0.321SS*.Hα-helixtrans-65.7-40.6172.8-66.8-175.4178.6-177.40.8113T386 S391T386-R388 PolarHBondContact O-N 2.92Å; R388-S391 PolarHBondContact O-OG 2.84Å
389L80.6Confident77.4Confident47 Ų4756.7 Ų56.725%0.24630%0.298CS..Hα-helixtrans-70.8-39.9173.7-69.6172.4000110.8K340 V343 L385 T386 S391 V392K340-L389 HydrophobicContact CG-CD2 4.2Å; V343-L389 WeakPolarHBondContact CG1-O 3.44Å; L385-L389 HydrophobicContact CD1-CB 4.41Å; T386-L389 WeakPolarHBondContact O-CA 3.48Å; T386-L389 WeakPolarHBondContact O-CB 3.28Å; T386-L389 PolarHBondContact O-N 2.85Å; T386-L389 WeakPolarHBondContact OG1-CG 3.48Å; T386-L389 PolarHBondContact OG1-N 3.01Å; L389-S391 VanDerWaalsContact C-N 3.28Å; L389-S391 PolarHBondContact O-N 2.94Å; L389-V392 WeakPolarHBondContact O-CG2 3.36Å; L389-V392 PolarHBondContact O-N 2.67Å
390A82.2Confident78.5Confident0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-62.8-33.2176.600000112.3L385 T386 P387 V392 L393 Q411 V414L385-A390 HydrophobicContact CG-CB 4.35Å; T386-A390 PolarHBondContact O-N 3.06Å; P387-A390 PolarHBondContact O-N 2.87Å; A390-V392 PolarHBondContact O-N 3.39Å; A390-L393 WeakPolarHBondContact O-CA 3.42Å; A390-L393 WeakPolarHBondContact O-CB 3.32Å; A390-L393 PolarHBondContact O-N 3.32Å; A390-Q411 PolarHBondContact O-NE2 3.24Å; A390-Q411 PolarHBondContact O-OE1 3.48Å; A390-V414 HydrophobicContact CB-CB 4.32Å; A390-V414 HydrophobicContact CB-CG1 3.85Å; A390-V414 HydrophobicContact CB-CG2 4.02Å
391S81.4Confident79.5Confident56 Ų5657.2 Ų57.239%0.39231%0.305SS..G310 helixtrans-55.9-21.1-179.474.90000114.9P387 R388 L389 L393 L394P387-S391 PolarHBondContact O-N 3.14Å; R388-S391 PolarHBondContact O-OG 2.84Å; L389-S391 VanDerWaalsContact C-N 3.28Å; L389-S391 PolarHBondContact O-N 2.94Å; S391-L393 VanDerWaalsContact C-N 3.28Å; S391-L394 VanDerWaalsContact O-CD1 3.25Å; S391-L394 WeakPolarHBondContact O-CD1 3.35Å; S391-L394 WeakPolarHBondContact O-CG 3.26Å
392V82.8Confident80.2Confident76 Ų7659.3 Ų59.346%0.46132%0.323SS..G310 helixtrans-72.7-28176.6-159.90000110.6V343 Q347 L389 A390 L394V343-V392 HydrophobicContact CG1-CB 4.25Å; Q347-V392 VanDerWaalsContact CD-CG1 3.5Å; Q347-V392 VanDerWaalsContact NE2-CB 3.27Å; Q347-V392 PolarHBondContact NE2-O 3.02Å; Q347-V392 PolarHBondContact OE1-O 3.17Å; L389-V392 WeakPolarHBondContact O-CG2 3.36Å; L389-V392 PolarHBondContact O-N 2.67Å; A390-V392 PolarHBondContact O-N 3.39Å; V392-L394 PolarHBondContact O-N 2.97Å
393L83.1Confident80.9Confident0 Ų059.3 Ų59.30%032%0.323CS..G310 helixtrans-85.211.8-178.9-60.2171.5000113.7V343 S346 Q347 M360 I363 A390 S391 L410V343-L393 HydrophobicContact CG1-CD1 4.27Å; V343-L393 HydrophobicContact CG1-CD2 4.23Å; V343-L393 HydrophobicContact CG1-CG 3.99Å; V343-L393 HydrophobicContact CG2-CD1 4.13Å; S346-L393 WeakPolarHBondContact OG-CD2 3.17Å; Q347-L393 HydrophobicContact CG-CD2 3.8Å; M360-L393 HydrophobicContact CE-CD1 4.41Å; M360-L393 HydrophobicContact SD-CD1 4.22Å; M360-L393 HydrophobicContact SD-CD2 4Å; I363-L393 HydrophobicContact CD1-CD1 4.29Å; A390-L393 WeakPolarHBondContact O-CA 3.42Å; A390-L393 WeakPolarHBondContact O-CB 3.32Å; A390-L393 PolarHBondContact O-N 3.32Å; S391-L393 VanDerWaalsContact C-N 3.28Å; L393-L410 HydrophobicContact CD1-CD1 4.44Å; L393-L410 HydrophobicContact CD1-CD2 3.82Å
394L82.8Confident81.7Confident46 Ų4654 Ų5424%0.24129%0.291CS..  trans-55.5131.9179.4-75.1171.7000110.8S391 V392 S396 Q411 F415 Y428S391-L394 VanDerWaalsContact O-CD1 3.25Å; S391-L394 WeakPolarHBondContact O-CD1 3.35Å; S391-L394 WeakPolarHBondContact O-CG 3.26Å; V392-L394 PolarHBondContact O-N 2.97Å; L394-S396 PolarHBondContact O-N 2.85Å; L394-Q411 HydrophobicContact CD2-CG 4.36Å; L394-F415 HydrophobicContact CD2-CZ 4.41Å; L394-Y428 HydrophobicContact CB-CD1 4.42Å; L394-Y428 HydrophobicContact CB-CE1 3.68Å; L394-Y428 HydrophobicContact CD1-CD1 4.32Å; L394-Y428 HydrophobicContact CD1-CE1 4.15Å; L394-Y428 HydrophobicContact CD1-CE2 4.38Å; L394-Y428 HydrophobicContact CD2-CD1 3.6Å; L394-Y428 HydrophobicContact CD2-CE1 3.75Å; L394-Y428 HydrophobicContact CD2-CG 4.33Å; L394-Y428 HydrophobicContact CG-CD1 4.31Å; L394-Y428 HydrophobicContact CG-CE1 4.05Å
395P83.2Confident82.5Confident0 Ų052.5 Ų52.50%028%0.282CS..  trans-66.4135.8-176.526.8-34.1000110.5L404 Y428 H432P395-L404 HydrophobicContact CB-CG 4.26Å; P395-Y428 PolarHBondContact O-OH 3.47Å; P395-H432 PolarHBondContact O-CE1 3.49Å; P395-H432 PolarHBondContact O-ND1 3.42Å; P395-H432 VanDerWaalsContact O-ND1 3.08Å
396S83.3Confident82.9Confident40 Ų4053.2 Ų53.228%0.2829%0.288SS..  trans-116.9150.2173.678.60000110.2L394 F398 N399L394-S396 PolarHBondContact O-N 2.85Å; S396-F398 PolarHBondContact O-N 2.91Å; S396-F398 VanDerWaalsContact O-N 3.1Å; S396-N399 WeakPolarHBondContact CA-OD1 3.34Å; S396-N399 WeakPolarHBondContact CB-OD1 3.27Å; S396-N399 PolarHBondContact N-OD1 2.85Å; S396-N399 WeakPolarHBondContact O-CB 3.49Å; S396-N399 PolarHBondContact O-N 3.47Å; S396-N399 PolarHBondContact O-OD1 2.95Å; S396-N399 VanDerWaalsContact O-OD1 3.09Å; S396-N399 VanDerWaalsContact OG-CG 3.22Å; S396-N399 PolarHBondContact OG-ND2 3.43Å; S396-N399 PolarHBondContact OG-OD1 3.41Å
397V78.1Confident83.4Confident61 Ų6150.7 Ų50.737%0.3727%0.271SS..THydrogen-bonded Turntrans-62.3-20.4-178.31770000112.2N399 A435 I439V397-N399 VanDerWaalsContact C-N 3.27Å; V397-N399 PolarHBondContact O-N 3.3Å; V397-A435 HydrophobicContact CG2-CB 4.22Å; V397-I439 HydrophobicContact CG1-CD1 3.31Å; V397-I439 HydrophobicContact CG2-CD1 4.47Å
398F79.5Confident84Confident195 Ų19548.9 Ų48.986%0.85526%0.259SS*.THydrogen-bonded Turntrans-82.5-1.4178-59.3-72.6000113.7S396S396-F398 PolarHBondContact O-N 2.91Å; S396-F398 VanDerWaalsContact O-N 3.1Å
399N83.1Confident84.5Confident38 Ų3839.3 Ų39.320%0.20323%0.225CC..SBendtrans-81.2149177.9-61.7129.6000111.7S396 V397 L404 R407S396-N399 WeakPolarHBondContact CA-OD1 3.34Å; S396-N399 WeakPolarHBondContact CB-OD1 3.27Å; S396-N399 PolarHBondContact N-OD1 2.85Å; S396-N399 WeakPolarHBondContact O-CB 3.49Å; S396-N399 PolarHBondContact O-N 3.47Å; S396-N399 PolarHBondContact O-OD1 2.95Å; S396-N399 VanDerWaalsContact O-OD1 3.09Å; S396-N399 VanDerWaalsContact OG-CG 3.22Å; S396-N399 PolarHBondContact OG-ND2 3.43Å; S396-N399 PolarHBondContact OG-OD1 3.41Å; V397-N399 VanDerWaalsContact C-N 3.27Å; V397-N399 PolarHBondContact O-N 3.3Å; N399-L404 HydrophobicContact CB-CB 4.21Å; N399-R407 VanDerWaalsContact CG-NH1 3.28Å; N399-R407 PolarHBondContact ND2-NH1 3.1Å; N399-R407 VanDerWaalsContact ND2-NH1 3.14Å; N399-R407 PolarHBondContact OD1-NH1 2.81Å
400D85.1Confident84.8Confident74 Ų7437.1 Ų37.140%0.39621%0.213SC..  trans-62146.3173.8-43.6-48.7000109.5S353 A402 T403 L404S353-D400 VanDerWaalsContact CB-OD2 3.29Å; S353-D400 WeakPolarHBondContact CB-OD2 3.19Å; S353-D400 PolarHBondContact OG-OD2 2.92Å; D400-A402 VanDerWaalsContact C-N 3.32Å; D400-A402 PolarHBondContact O-N 3.47Å; D400-T403 HydrophobicContact CB-CG2 4.39Å; D400-T403 PolarHBondContact N-OG1 2.92Å; D400-T403 PolarHBondContact O-N 3.26Å; D400-T403 PolarHBondContact O-OG1 3.29Å; D400-L404 WeakPolarHBondContact O-CB 3.49Å; D400-L404 PolarHBondContact O-N 3.44Å
401S86Confident84.9Confident57 Ų5737.1 Ų37.140%0.39921%0.213SC..Hα-helixtrans-49.1-47.5-174.751.70000113.9L404 L405 T451S401-L404 PolarHBondContact O-N 3.43Å; S401-L405 WeakPolarHBondContact O-CG 2.95Å; S401-L405 PolarHBondContact O-N 2.91Å; S401-L405 VanDerWaalsContact O-N 3.13Å; S401-T451 WeakPolarHBondContact CB-OG1 3.23Å
402A86.9Confident85.1Confident47 Ų4734.4 Ų34.439%0.38819%0.194SC..Hα-helixtrans-65-46179.300000112.2L357 D400 L404 L405 S406L357-A402 HydrophobicContact CD1-CB 3.86Å; L357-A402 HydrophobicContact CD2-CB 4.17Å; D400-A402 VanDerWaalsContact C-N 3.32Å; D400-A402 PolarHBondContact O-N 3.47Å; A402-L404 VanDerWaalsContact C-N 3.3Å; A402-L404 PolarHBondContact O-N 2.84Å; A402-L405 PolarHBondContact O-N 3.38Å; A402-S406 PolarHBondContact O-N 2.83Å; A402-S406 PolarHBondContact O-OG 3.41Å
403T86.6Confident85.1Confident2 Ų231.1 Ų31.11%0.01217%0.174CC..Hα-helixtrans-67.4-31.9179.763.40000112.6K356 L357 D400 S406 R407K356-T403 HydrophobicContact CB-CG2 4.3Å; L357-T403 HydrophobicContact CD2-CG2 3.97Å; L357-T403 HydrophobicContact CG-CG2 3.97Å; D400-T403 HydrophobicContact CB-CG2 4.39Å; D400-T403 PolarHBondContact N-OG1 2.92Å; D400-T403 PolarHBondContact O-N 3.26Å; D400-T403 PolarHBondContact O-OG1 3.29Å; T403-S406 PolarHBondContact O-OG 3.32Å; T403-S406 VanDerWaalsContact O-OG 3.06Å; T403-R407 WeakPolarHBondContact O-CB 3.24Å; T403-R407 WeakPolarHBondContact O-CD 3.42Å; T403-R407 WeakPolarHBondContact O-CG 3.47Å; T403-R407 PolarHBondContact O-N 2.95Å; T403-R407 VanDerWaalsContact O-N 3.11Å
404L88.3Confident85Confident4 Ų431.3 Ų31.32%0.02118%0.175CC..Hα-helixtrans-66.4-48.9176.3-175.2160.5000110P395 N399 D400 S401 A402 R407 L408 L436 T451P395-L404 HydrophobicContact CB-CG 4.26Å; N399-L404 HydrophobicContact CB-CB 4.21Å; D400-L404 WeakPolarHBondContact O-CB 3.49Å; D400-L404 PolarHBondContact O-N 3.44Å; S401-L404 PolarHBondContact O-N 3.43Å; A402-L404 VanDerWaalsContact C-N 3.3Å; A402-L404 PolarHBondContact O-N 2.84Å; L404-R407 PolarHBondContact O-N 3.42Å; L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 PolarHBondContact O-N 2.86Å; L404-L436 HydrophobicContact CD1-CD1 4.36Å; L404-L436 HydrophobicContact CD1-CD2 4.25Å; L404-L436 HydrophobicContact CD2-CD1 4.18Å; L404-T451 HydrophobicContact CD2-CG2 4.08Å
405L89.4Confident84.8Confident25 Ų2530 Ų3013%0.13117%0.168CC..Hα-helixtrans-63-43.6179.7-69.6171.8000112S401 A402 R407 L408 N409 T451 R454 A455 L458S401-L405 WeakPolarHBondContact O-CG 2.95Å; S401-L405 PolarHBondContact O-N 2.91Å; S401-L405 VanDerWaalsContact O-N 3.13Å; A402-L405 PolarHBondContact O-N 3.38Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.96Å; L405-L408 PolarHBondContact O-N 3.43Å; L405-N409 WeakPolarHBondContact O-CB 2.76Å; L405-N409 PolarHBondContact O-N 2.98Å; L405-T451 HydrophobicContact CD1-CG2 4.42Å; L405-T451 HydrophobicContact CD2-CG2 4.18Å; L405-T451 HydrophobicContact CG-CG2 4.07Å; L405-R454 HydrophobicContact CD1-CB 3.96Å; L405-R454 HydrophobicContact CD2-CB 3.76Å; L405-A455 HydrophobicContact CD2-CB 4.01Å; L405-L458 HydrophobicContact CD2-CD1 4.14Å
406S87.9Confident84.5Confident23 Ų2334 Ų3416%0.16119%0.188CC..Hα-helixtrans-64.5-37.8178.168.90000112.2A402 T403 L410A402-S406 PolarHBondContact O-N 2.83Å; A402-S406 PolarHBondContact O-OG 3.41Å; T403-S406 PolarHBondContact O-OG 3.32Å; T403-S406 VanDerWaalsContact O-OG 3.06Å; S406-L410 WeakPolarHBondContact O-CB 2.97Å; S406-L410 PolarHBondContact O-N 3.08Å; S406-L410 VanDerWaalsContact O-N 3.1Å
407R88.6Confident84Confident14 Ų1437.4 Ų37.45%0.05320%0.2CC..Hα-helixtrans-66.8-44174.1-74.7171.8-176.2-166.91.2111.8S346 M360 N399 T403 L404 L405 N409 L410 Q411S346-R407 PolarHBondContact O-NH2 3.46Å; M360-R407 HydrophobicContact CE-CB 4.32Å; M360-R407 HydrophobicContact CE-CG 3.75Å; M360-R407 HydrophobicContact SD-CG 4.07Å; N399-R407 VanDerWaalsContact CG-NH1 3.28Å; N399-R407 PolarHBondContact ND2-NH1 3.1Å; N399-R407 VanDerWaalsContact ND2-NH1 3.14Å; N399-R407 PolarHBondContact OD1-NH1 2.81Å; T403-R407 WeakPolarHBondContact O-CB 3.24Å; T403-R407 WeakPolarHBondContact O-CD 3.42Å; T403-R407 WeakPolarHBondContact O-CG 3.47Å; T403-R407 PolarHBondContact O-N 2.95Å; T403-R407 VanDerWaalsContact O-N 3.11Å; L404-R407 PolarHBondContact O-N 3.42Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.96Å; R407-N409 VanDerWaalsContact C-N 3.32Å; R407-N409 PolarHBondContact O-N 3.31Å; R407-L410 PolarHBondContact O-N 2.9Å; R407-Q411 WeakPolarHBondContact O-CB 3.35Å; R407-Q411 VanDerWaalsContact O-CG 3.26Å; R407-Q411 WeakPolarHBondContact O-CG 3.3Å; R407-Q411 PolarHBondContact O-N 2.83Å
408L87.8Confident83.4Confident1 Ų138.2 Ų38.21%0.00520%0.2CC..Hα-helixtrans-61.3-42.8177.2-172.5149.9000111.1L404 L405 Q411 A412 I429 A455 L458L404-L408 WeakPolarHBondContact O-CB 3.35Å; L404-L408 PolarHBondContact O-N 2.86Å; L405-L408 PolarHBondContact O-N 3.43Å; L408-Q411 PolarHBondContact O-N 3.42Å; L408-A412 VanDerWaalsContact O-CB 3.3Å; L408-A412 WeakPolarHBondContact O-CB 3.45Å; L408-A412 PolarHBondContact O-N 3.42Å; L408-I429 HydrophobicContact CD1-CG2 4.42Å; L408-I429 HydrophobicContact CG-CG2 4.45Å; L408-A455 HydrophobicContact CD1-CB 3.85Å; L408-L458 HydrophobicContact CD2-CB 3.63Å; L408-L458 HydrophobicContact CD2-CD1 3.98Å; L408-L458 HydrophobicContact CD2-CG 4.47Å
409N88.4Confident82.4Confident20 Ų2031.8 Ų31.811%0.10719%0.189CC..Hα-helixtrans-57.6-53.4175.2-165.942.9000111.5E379 L405 R407 Q411 A412 L413 L458 Y462E379-N409 PolarHBondContact OE2-ND2 2.82Å; L405-N409 WeakPolarHBondContact O-CB 2.76Å; L405-N409 PolarHBondContact O-N 2.98Å; R407-N409 VanDerWaalsContact C-N 3.32Å; R407-N409 PolarHBondContact O-N 3.31Å; N409-Q411 PolarHBondContact O-N 3.22Å; N409-A412 WeakPolarHBondContact O-CB 3.4Å; N409-A412 PolarHBondContact O-N 3.47Å; N409-L413 WeakPolarHBondContact O-CG 3.26Å; N409-L413 PolarHBondContact O-N 3.21Å; N409-L458 HydrophobicContact CB-CD1 4.49Å; N409-Y462 VanDerWaalsContact OD1-CE2 3.24Å; N409-Y462 WeakPolarHBondContact OD1-CE2 3.39Å; N409-Y462 PolarHBondContact OD1-OH 3.5Å
410L86.3Confident81.4Confident0 Ų035.6 Ų35.60%021%0.209CC..Hα-helixtrans-61.3-42.2-179.7-175.9149.5000112.3M360 I363 L364 L385 L393 S406 R407 L413 V414M360-L410 HydrophobicContact CE-CB 3.86Å; M360-L410 HydrophobicContact CE-CD1 3.63Å; M360-L410 HydrophobicContact CE-CG 4.23Å; I363-L410 HydrophobicContact CB-CD1 3.99Å; I363-L410 HydrophobicContact CG2-CD1 3.6Å; L364-L410 HydrophobicContact CD2-CB 4.03Å; L364-L410 HydrophobicContact CD2-CD1 4.02Å; L364-L410 HydrophobicContact CD2-CG 4.14Å; L364-L410 HydrophobicContact CG-CD1 4.27Å; L385-L410 HydrophobicContact CD2-CD2 4Å; L385-L410 HydrophobicContact CD2-CG 4.46Å; L393-L410 HydrophobicContact CD1-CD1 4.44Å; L393-L410 HydrophobicContact CD1-CD2 3.82Å; S406-L410 WeakPolarHBondContact O-CB 2.97Å; S406-L410 PolarHBondContact O-N 3.08Å; S406-L410 VanDerWaalsContact O-N 3.1Å; R407-L410 PolarHBondContact O-N 2.9Å; L410-L413 PolarHBondContact O-N 2.92Å; L410-V414 HydrophobicContact CD2-CG2 4.27Å; L410-V414 WeakPolarHBondContact O-CG2 3.46Å; L410-V414 PolarHBondContact O-N 3.41Å; L410-V414 VanDerWaalsContact O-N 3.08Å
411Q85Confident79.9Confident0 Ų039.2 Ų39.20%022%0.224CC..Hα-helixtrans-66-40.3176.5-69.1-58-6400112A390 L394 R407 L408 N409 L413 V414 F415 I429A390-Q411 PolarHBondContact O-NE2 3.24Å; A390-Q411 PolarHBondContact O-OE1 3.48Å; L394-Q411 HydrophobicContact CD2-CG 4.36Å; R407-Q411 WeakPolarHBondContact O-CB 3.35Å; R407-Q411 VanDerWaalsContact O-CG 3.26Å; R407-Q411 WeakPolarHBondContact O-CG 3.3Å; R407-Q411 PolarHBondContact O-N 2.83Å; L408-Q411 PolarHBondContact O-N 3.42Å; N409-Q411 PolarHBondContact O-N 3.22Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.47Å; Q411-V414 PolarHBondContact O-N 2.77Å; Q411-F415 HydrophobicContact CB-CD2 4.36Å; Q411-F415 HydrophobicContact CB-CE2 4.01Å; Q411-F415 WeakPolarHBondContact O-CD2 3.39Å; Q411-F415 WeakPolarHBondContact O-CG 3.19Å; Q411-F415 PolarHBondContact O-N 3.38Å; Q411-I429 HydrophobicContact CB-CD1 4.12Å
412A85Confident78.6Confident0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-60.2-43.3177.300000111.2L408 N409 F415 L416 Y462 F463L408-A412 VanDerWaalsContact O-CB 3.3Å; L408-A412 WeakPolarHBondContact O-CB 3.45Å; L408-A412 PolarHBondContact O-N 3.42Å; N409-A412 WeakPolarHBondContact O-CB 3.4Å; N409-A412 PolarHBondContact O-N 3.47Å; A412-F415 PolarHBondContact O-N 2.96Å; A412-L416 WeakPolarHBondContact O-CB 3.08Å; A412-L416 PolarHBondContact O-N 3.17Å; A412-Y462 HydrophobicContact CB-CD2 3.47Å; A412-Y462 VanDerWaalsContact CB-CD2 3.47Å; A412-Y462 HydrophobicContact CB-CE2 4.03Å; A412-Y462 HydrophobicContact CB-CG 4Å; A412-F463 HydrophobicContact CB-CE2 3.65Å; A412-F463 HydrophobicContact CB-CZ 4.09Å; A412-F463 WeakPolarHBondContact O-CZ 3.32Å
413L83.3Confident77.6Confident7 Ų743.7 Ų43.74%0.03723%0.232CC..Hα-helixtrans-60.6-45.1174.4-74.3176.3000112.9L364 E379 P381 N409 L410 Q411 F415 L416 E417 Y462L364-L413 HydrophobicContact CD2-CD1 3.95Å; E379-L413 HydrophobicContact CB-CD1 4.17Å; E379-L413 WeakPolarHBondContact O-CD2 3.43Å; P381-L413 HydrophobicContact CG-CB 4.28Å; N409-L413 WeakPolarHBondContact O-CG 3.26Å; N409-L413 PolarHBondContact O-N 3.21Å; L410-L413 PolarHBondContact O-N 2.92Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.47Å; L413-F415 PolarHBondContact O-N 3.3Å; L413-L416 WeakPolarHBondContact O-CB 3.31Å; L413-L416 PolarHBondContact O-N 3.39Å; L413-E417 PolarHBondContact O-N 2.92Å; L413-Y462 HydrophobicContact CD2-CD1 4.28Å; L413-Y462 HydrophobicContact CD2-CE1 3.43Å; L413-Y462 VanDerWaalsContact CD2-CE1 3.43Å; L413-Y462 HydrophobicContact CG-CE1 4.21Å
414V81.6Confident76.8Confident4 Ų451.3 Ų51.32%0.02427%0.272CS..Hα-helixtrans-64.1-41.7178.6172.90000111.9P381 L385 P387 A390 L410 Q411 L416 E417 E418P381-V414 HydrophobicContact CB-CG2 3.96Å; P381-V414 HydrophobicContact CG-CG2 4.36Å; L385-V414 HydrophobicContact CD2-CG2 3.63Å; L385-V414 HydrophobicContact CG-CG2 4.31Å; P387-V414 HydrophobicContact CB-CG1 4.14Å; P387-V414 HydrophobicContact CG-CG1 3.99Å; A390-V414 HydrophobicContact CB-CB 4.32Å; A390-V414 HydrophobicContact CB-CG1 3.85Å; A390-V414 HydrophobicContact CB-CG2 4.02Å; L410-V414 HydrophobicContact CD2-CG2 4.27Å; L410-V414 WeakPolarHBondContact O-CG2 3.46Å; L410-V414 PolarHBondContact O-N 3.41Å; L410-V414 VanDerWaalsContact O-N 3.08Å; Q411-V414 PolarHBondContact O-N 2.77Å; V414-L416 VanDerWaalsContact C-N 3.34Å; V414-E417 PolarHBondContact O-N 3.28Å; V414-E418 PolarHBondContact O-N 2.8Å
415F77.8Confident76.2Confident18 Ų1851.7 Ų51.78%0.07928%0.276CS..Hα-helixtrans-74.5-23.7178.6-63.2-48.5000113.3L394 Q411 A412 L413 E417 E418 G425 I429 F463L394-F415 HydrophobicContact CD2-CZ 4.41Å; Q411-F415 HydrophobicContact CB-CD2 4.36Å; Q411-F415 HydrophobicContact CB-CE2 4.01Å; Q411-F415 WeakPolarHBondContact O-CD2 3.39Å; Q411-F415 WeakPolarHBondContact O-CG 3.19Å; Q411-F415 PolarHBondContact O-N 3.38Å; A412-F415 PolarHBondContact O-N 2.96Å; L413-F415 PolarHBondContact O-N 3.3Å; F415-E417 VanDerWaalsContact C-N 3.34Å; F415-E418 WeakPolarHBondContact CD1-OE2 3.19Å; F415-G425 VanDerWaalsContact CZ-CA 3.45Å; F415-I429 HydrophobicContact CD2-CD1 3.51Å; F415-I429 HydrophobicContact CD2-CG1 4.35Å; F415-I429 HydrophobicContact CE2-CD1 3.76Å; F415-I429 HydrophobicContact CE2-CG1 4.17Å; F415-F463 HydrophobicContact CB-CZ 4.14Å
416L77.3Confident75.9Confident83 Ų8350.7 Ų50.744%0.43527%0.271SS..Hα-helixtrans-65-39.2171.9-167.181.2000111.1A412 L413 V414 G419 Y462A412-L416 WeakPolarHBondContact O-CB 3.08Å; A412-L416 PolarHBondContact O-N 3.17Å; L413-L416 WeakPolarHBondContact O-CB 3.31Å; L413-L416 PolarHBondContact O-N 3.39Å; V414-L416 VanDerWaalsContact C-N 3.34Å; L416-G419 PolarHBondContact O-N 2.75Å; L416-Y462 HydrophobicContact CD2-CD1 4.37Å
417E72.2Confident75.7Confident113 Ų11350.9 Ų50.953%0.52827%0.274SS..Hα-helixtrans-72.6-26179.1-69.6-167.5160.400114.1P381 L413 V414 F415 G419P381-E417 VanDerWaalsContact CD-OE1 3.22Å; P381-E417 WeakPolarHBondContact CD-OE1 3.45Å; P381-E417 HydrophobicContact CG-CG 4.02Å; P381-E417 WeakPolarHBondContact CG-OE1 3.25Å; P381-E417 VanDerWaalsContact CG-OE2 3.31Å; P381-E417 WeakPolarHBondContact CG-OE2 3.28Å; L413-E417 PolarHBondContact O-N 2.92Å; V414-E417 PolarHBondContact O-N 3.28Å; F415-E417 VanDerWaalsContact C-N 3.34Å; E417-G419 PolarHBondContact O-N 2.97Å
418E65.9Low75.5Confident77 Ų7754.5 Ų54.536%0.3629%0.289SS..Hα-helixtrans-65.9-22.3177-75.4-168.1138.700112.8P387 V414 F415 D420P387-E418 HydrophobicContact CB-CG 4.3Å; P387-E418 WeakPolarHBondContact CB-OE1 3.42Å; P387-E418 VanDerWaalsContact CG-CD 3.43Å; P387-E418 HydrophobicContact CG-CG 3.56Å; P387-E418 WeakPolarHBondContact CG-OE1 3.32Å; V414-E418 PolarHBondContact O-N 2.8Å; F415-E418 WeakPolarHBondContact CD1-OE2 3.19Å; E418-D420 PolarHBondContact O-N 3.09Å
419G58.6Low75.5Confident61 Ų6154.5 Ų54.563%0.62929%0.289SS*.  trans68.2-0.8174.200000116.1L416 E417L416-G419 PolarHBondContact O-N 2.75Å; E417-G419 PolarHBondContact O-N 2.97Å
420D60.7Low75.5Confident117 Ų11754.2 Ų54.263%0.62629%0.286SS*.  trans-88108178.8-80.3-19.7000111E418 E422 S423E418-D420 PolarHBondContact O-N 3.09Å; D420-E422 PolarHBondContact O-N 3.41Å; D420-S423 PolarHBondContact O-N 2.71Å; D420-S423 VanDerWaalsContact O-N 3.15Å
421E54.5Low75.7Confident150 Ų15059.3 Ų59.370%0.70131%0.313SS*.THydrogen-bonded Turntrans-58.9-15.5-179-64.7-174.8166.700114.3
422E58Low75.8Confident182 Ų18259.8 Ų59.885%0.8532%0.316SS*.THydrogen-bonded Turntrans-124.636.7178.5-62.2-170157.800112.9D420 L424D420-E422 PolarHBondContact O-N 3.41Å; E422-L424 PolarHBondContact O-N 3.45Å
423S65.7Low76.1Confident16 Ų1659.9 Ų59.911%0.11232%0.316CS..  trans-62138.7176.671.50000111.8D420 G425 L426 A427D420-S423 PolarHBondContact O-N 2.71Å; D420-S423 VanDerWaalsContact O-N 3.15Å; S423-G425 PolarHBondContact O-N 2.73Å; S423-G425 VanDerWaalsContact O-N 3.09Å; S423-L426 PolarHBondContact O-N 2.73Å; S423-L426 VanDerWaalsContact O-N 3.12Å; S423-L426 PolarHBondContact OG-N 3Å; S423-A427 PolarHBondContact O-N 3.36Å
424L71.1Confident76.5Confident163 Ų16360.1 Ų60.185%0.85332%0.319SS*.Hα-helixtrans-55.2-25.6171.7-76.1161.7000112.1E422 Y428E422-L424 PolarHBondContact O-N 3.45Å; L424-Y428 PolarHBondContact O-N 3.24Å
425G75.9Confident76.9Confident11 Ų1161.6 Ų61.611%0.11333%0.332CS..Hα-helixtrans-67.8-43176.400000113.5F415 S423 A427 Y428 I429F415-G425 VanDerWaalsContact CZ-CA 3.45Å; S423-G425 PolarHBondContact O-N 2.73Å; S423-G425 VanDerWaalsContact O-N 3.09Å; G425-A427 VanDerWaalsContact C-N 3.33Å; G425-A427 PolarHBondContact O-N 2.99Å; G425-Y428 WeakPolarHBondContact O-CB 3.45Å; G425-Y428 PolarHBondContact O-N 3.37Å; G425-Y428 VanDerWaalsContact O-N 3.16Å; G425-I429 PolarHBondContact O-N 3.39Å
426L81.5Confident77.5Confident4 Ų461 Ų612%0.02133%0.329CS..Hα-helixtrans-61.8-42.5176.9-177.665.7000111.7S423 Y428 I429 Y430 F459 F463 V466 Y469S423-L426 PolarHBondContact O-N 2.73Å; S423-L426 VanDerWaalsContact O-N 3.12Å; S423-L426 PolarHBondContact OG-N 3Å; L426-Y428 VanDerWaalsContact C-N 3.3Å; L426-Y428 PolarHBondContact O-N 3.12Å; L426-I429 PolarHBondContact O-N 3.09Å; L426-Y430 PolarHBondContact O-N 3.46Å; L426-F459 HydrophobicContact CD1-CE2 3.71Å; L426-F459 HydrophobicContact CD1-CZ 4.2Å; L426-F463 HydrophobicContact CD1-CB 4.04Å; L426-F463 HydrophobicContact CD1-CD1 3.62Å; L426-F463 HydrophobicContact CD1-CD2 3.7Å; L426-F463 HydrophobicContact CD1-CE1 3.93Å; L426-F463 HydrophobicContact CD1-CE2 3.99Å; L426-F463 HydrophobicContact CD1-CG 3.5Å; L426-F463 VanDerWaalsContact CD1-CG 3.5Å; L426-F463 HydrophobicContact CD1-CZ 4.1Å; L426-V466 HydrophobicContact CD2-CB 4.43Å; L426-V466 HydrophobicContact CD2-CG1 4.22Å; L426-V466 HydrophobicContact CD2-CG2 3.92Å; L426-Y469 HydrophobicContact CD2-CD2 3.9Å; L426-Y469 HydrophobicContact CD2-CE2 3.65Å; L426-Y469 HydrophobicContact CG-CD2 4.12Å; L426-Y469 HydrophobicContact CG-CE2 3.81Å
427A84.4Confident78.1Confident28 Ų2857.6 Ų57.623%0.23131%0.311CS..Hα-helixtrans-59.3-41.7174.900000111.6S423 G425 Y430 D431S423-A427 PolarHBondContact O-N 3.36Å; G425-A427 VanDerWaalsContact C-N 3.33Å; G425-A427 PolarHBondContact O-N 2.99Å; A427-Y430 PolarHBondContact O-N 2.99Å; A427-D431 WeakPolarHBondContact O-CB 3.38Å; A427-D431 VanDerWaalsContact O-CG 3.28Å; A427-D431 PolarHBondContact O-N 3.11Å
428Y85.3Confident79Confident90 Ų9057.5 Ų57.535%0.35331%0.311SS..Hα-helixtrans-64.8-43.8177-176.6-83.8000112.9L394 P395 L424 G425 L426 Y430 D431 H432L394-Y428 HydrophobicContact CB-CD1 4.42Å; L394-Y428 HydrophobicContact CB-CE1 3.68Å; L394-Y428 HydrophobicContact CD1-CD1 4.32Å; L394-Y428 HydrophobicContact CD1-CE1 4.15Å; L394-Y428 HydrophobicContact CD1-CE2 4.38Å; L394-Y428 HydrophobicContact CD2-CD1 3.6Å; L394-Y428 HydrophobicContact CD2-CE1 3.75Å; L394-Y428 HydrophobicContact CD2-CG 4.33Å; L394-Y428 HydrophobicContact CG-CD1 4.31Å; L394-Y428 HydrophobicContact CG-CE1 4.05Å; P395-Y428 PolarHBondContact O-OH 3.47Å; L424-Y428 PolarHBondContact O-N 3.24Å; G425-Y428 WeakPolarHBondContact O-CB 3.45Å; G425-Y428 PolarHBondContact O-N 3.37Å; G425-Y428 VanDerWaalsContact O-N 3.16Å; L426-Y428 VanDerWaalsContact C-N 3.3Å; L426-Y428 PolarHBondContact O-N 3.12Å; Y428-Y430 VanDerWaalsContact C-N 3.26Å; Y428-Y430 PolarHBondContact O-N 3Å; Y428-D431 PolarHBondContact O-N 3.44Å; Y428-H432 WeakPolarHBondContact O-CB 3.41Å; Y428-H432 PolarHBondContact O-N 3.16Å
429I86.8Confident80Confident1 Ų156.4 Ų56.41%0.00531%0.307CS..Hα-helixtrans-60.4-42.4176.8-67.4179.6000109.9L408 Q411 F415 G425 L426 H432 L433 F459 F463L408-I429 HydrophobicContact CD1-CG2 4.42Å; L408-I429 HydrophobicContact CG-CG2 4.45Å; Q411-I429 HydrophobicContact CB-CD1 4.12Å; F415-I429 HydrophobicContact CD2-CD1 3.51Å; F415-I429 HydrophobicContact CD2-CG1 4.35Å; F415-I429 HydrophobicContact CE2-CD1 3.76Å; F415-I429 HydrophobicContact CE2-CG1 4.17Å; G425-I429 PolarHBondContact O-N 3.39Å; L426-I429 PolarHBondContact O-N 3.09Å; I429-H432 WeakPolarHBondContact O-CB 3.33Å; I429-H432 PolarHBondContact O-N 3.08Å; I429-L433 PolarHBondContact O-N 3.1Å; I429-F459 HydrophobicContact CG2-CD2 3.78Å; I429-F459 HydrophobicContact CG2-CE2 4.29Å; I429-F463 HydrophobicContact CD1-CE2 4.35Å
430Y88.9Confident81.5Confident14 Ų1453.7 Ų53.76%0.05528%0.278CS..Hα-helixtrans-66.4-43.4177.3-170.4-94.9000112.4L426 A427 Y428 H432 L433 A434 F459 Y469 C472 L473 Q476L426-Y430 PolarHBondContact O-N 3.46Å; A427-Y430 PolarHBondContact O-N 2.99Å; Y428-Y430 VanDerWaalsContact C-N 3.26Å; Y428-Y430 PolarHBondContact O-N 3Å; Y430-H432 PolarHBondContact O-N 3.09Å; Y430-L433 HydrophobicContact CD2-CD2 4.39Å; Y430-L433 HydrophobicContact CE2-CD2 4.4Å; Y430-L433 WeakPolarHBondContact O-CB 3.41Å; Y430-L433 PolarHBondContact O-N 3.34Å; Y430-L433 VanDerWaalsContact O-N 3.16Å; Y430-A434 WeakPolarHBondContact O-CB 3.31Å; Y430-A434 PolarHBondContact O-N 2.97Å; Y430-F459 HydrophobicContact CD2-CE1 4.22Å; Y430-F459 HydrophobicContact CD2-CE2 4.37Å; Y430-F459 AromaticContact CD2-CZ 3.9Å; Y430-F459 HydrophobicContact CD2-CZ 3.9Å; Y430-Y469 AromaticContact CD1-CD1 3.51Å; Y430-Y469 HydrophobicContact CD1-CD1 3.51Å; Y430-Y469 AromaticContact CD1-CE1 3.71Å; Y430-Y469 HydrophobicContact CD1-CE1 3.71Å; Y430-Y469 AromaticContact CD2-CD1 3.43Å; Y430-Y469 HydrophobicContact CD2-CD1 3.43Å; Y430-Y469 VanDerWaalsContact CD2-CD1 3.43Å; Y430-Y469 HydrophobicContact CD2-CE1 4.29Å; Y430-Y469 AromaticContact CD2-CG 3.83Å; Y430-Y469 HydrophobicContact CD2-CG 3.83Å; Y430-Y469 AromaticContact CE1-CD1 3.9Å; Y430-Y469 HydrophobicContact CE1-CD1 3.9Å; Y430-Y469 HydrophobicContact CE1-CE1 4.38Å; Y430-Y469 AromaticContact CE2-CD1 3.83Å; Y430-Y469 HydrophobicContact CE2-CD1 3.83Å; Y430-Y469 HydrophobicContact CE2-CG 4.26Å; Y430-Y469 AromaticContact CG-CD1 3.25Å; Y430-Y469 HydrophobicContact CG-CD1 3.25Å; Y430-Y469 AromaticContact CG-CE1 3.66Å; Y430-Y469 HydrophobicContact CG-CE1 3.66Å; Y430-Y469 HydrophobicContact CG-CG 4.03Å; Y430-C472 WeakPolarHBondContact OH-CB 3.5Å; Y430-C472 PolarHBondContact OH-SG 3.07Å; Y430-L473 HydrophobicContact CE2-CB 4.35Å; Y430-L473 PolarHBondContact OH-N 3.05Å; Y430-Q476 PolarHBondContact OH-OE1 3.37Å
431D89.3Confident82.8Confident106 Ų10650 Ų5057%0.56726%0.259SS*.Hα-helixtrans-60.3-36.4174.9-75.1-20.1000111.5A427 Y428 A434 A435A427-D431 WeakPolarHBondContact O-CB 3.38Å; A427-D431 VanDerWaalsContact O-CG 3.28Å; A427-D431 PolarHBondContact O-N 3.11Å; Y428-D431 PolarHBondContact O-N 3.44Å; D431-A434 PolarHBondContact O-N 3.37Å; D431-A435 WeakPolarHBondContact O-CB 3.27Å; D431-A435 PolarHBondContact O-N 3.24Å
432H88.5Confident84.4Confident11 Ų1153.8 Ų53.85%0.05127%0.266CS..Hα-helixtrans-67.1-44.2174.1-172.982.9000112.1P395 Y428 I429 Y430 A434 A435 L436P395-H432 PolarHBondContact O-CE1 3.49Å; P395-H432 PolarHBondContact O-ND1 3.42Å; P395-H432 VanDerWaalsContact O-ND1 3.08Å; Y428-H432 WeakPolarHBondContact O-CB 3.41Å; Y428-H432 PolarHBondContact O-N 3.16Å; I429-H432 WeakPolarHBondContact O-CB 3.33Å; I429-H432 PolarHBondContact O-N 3.08Å; Y430-H432 PolarHBondContact O-N 3.09Å; H432-A434 VanDerWaalsContact C-N 3.29Å; H432-A434 PolarHBondContact O-N 2.95Å; H432-A435 WeakPolarHBondContact O-CB 3.48Å; H432-A435 PolarHBondContact O-N 3.07Å; H432-L436 PolarHBondContact O-N 3.44Å
433L91.5Very high85.4Confident1 Ų147.9 Ų47.91%0.00525%0.254CS..Hα-helixtrans-58.3-43.3173.3-171.881.9000110.9I429 Y430 L436 L437 F452 A455 A456 L473I429-L433 PolarHBondContact O-N 3.1Å; Y430-L433 HydrophobicContact CD2-CD2 4.39Å; Y430-L433 HydrophobicContact CE2-CD2 4.4Å; Y430-L433 WeakPolarHBondContact O-CB 3.41Å; Y430-L433 PolarHBondContact O-N 3.34Å; Y430-L433 VanDerWaalsContact O-N 3.16Å; L433-L436 PolarHBondContact O-N 3.41Å; L433-L437 WeakPolarHBondContact O-CB 3.19Å; L433-L437 PolarHBondContact O-N 2.82Å; L433-F452 HydrophobicContact CD1-CD2 4.24Å; L433-F452 HydrophobicContact CD1-CE2 4.04Å; L433-F452 HydrophobicContact CG-CE2 4.03Å; L433-A455 HydrophobicContact CD1-CB 4.05Å; L433-A456 HydrophobicContact CD1-CB 4.06Å; L433-L473 HydrophobicContact CD2-CD1 3.63Å; L433-L473 HydrophobicContact CD2-CD2 4.09Å; L433-L473 HydrophobicContact CD2-CG 4.42Å
434A90.7Very high86Confident13 Ų1348.2 Ų48.211%0.10726%0.261CS..Hα-helixtrans-64.8-37.5175.900000112.1Y430 D431 H432 L437 H438Y430-A434 WeakPolarHBondContact O-CB 3.31Å; Y430-A434 PolarHBondContact O-N 2.97Å; D431-A434 PolarHBondContact O-N 3.37Å; H432-A434 VanDerWaalsContact C-N 3.29Å; H432-A434 PolarHBondContact O-N 2.95Å; A434-L437 WeakPolarHBondContact O-CB 3.37Å; A434-L437 PolarHBondContact O-N 3.37Å; A434-H438 PolarHBondContact O-CD2 2.82Å; A434-H438 PolarHBondContact O-N 2.91Å
435A90.5Very high86.7Confident34 Ų3443.4 Ų43.428%0.28124%0.241SC..Hα-helixtrans-63.2-43.8173.300000111.9V397 D431 H432 L437 H438 I439V397-A435 HydrophobicContact CG2-CB 4.22Å; D431-A435 WeakPolarHBondContact O-CB 3.27Å; D431-A435 PolarHBondContact O-N 3.24Å; H432-A435 WeakPolarHBondContact O-CB 3.48Å; H432-A435 PolarHBondContact O-N 3.07Å; A435-L437 VanDerWaalsContact C-N 3.35Å; A435-H438 PolarHBondContact O-N 2.82Å; A435-I439 WeakPolarHBondContact O-CG1 3.42Å; A435-I439 PolarHBondContact O-N 3.07Å
436L89.9Confident87.2Confident6 Ų652.5 Ų52.53%0.03127%0.271CS..Hα-helixtrans-62.5-42.6174.1-69.7177.5000111.5L404 H432 L433 H438 I439 V440 F452 A455L404-L436 HydrophobicContact CD1-CD1 4.36Å; L404-L436 HydrophobicContact CD1-CD2 4.25Å; L404-L436 HydrophobicContact CD2-CD1 4.18Å; H432-L436 PolarHBondContact O-N 3.44Å; L433-L436 PolarHBondContact O-N 3.41Å; L436-H438 VanDerWaalsContact C-N 3.34Å; L436-H438 PolarHBondContact O-N 3.31Å; L436-I439 WeakPolarHBondContact O-CB 3.27Å; L436-I439 PolarHBondContact O-N 3.25Å; L436-I439 VanDerWaalsContact O-N 3.13Å; L436-V440 WeakPolarHBondContact O-CG2 3.48Å; L436-V440 PolarHBondContact O-N 3.29Å; L436-F452 HydrophobicContact CB-CB 4.42Å; L436-F452 HydrophobicContact CB-CD2 3.93Å; L436-A455 HydrophobicContact CD1-CB 4.4Å
437L91.2Very high87.4Confident11 Ų1157.6 Ų57.66%0.05830%0.299CS..Hα-helixtrans-56.7-46.7174.617771.7000111.6L433 A434 A435 I439 V440 D441 F452 Q476 L480L433-L437 WeakPolarHBondContact O-CB 3.19Å; L433-L437 PolarHBondContact O-N 2.82Å; A434-L437 WeakPolarHBondContact O-CB 3.37Å; A434-L437 PolarHBondContact O-N 3.37Å; A435-L437 VanDerWaalsContact C-N 3.35Å; L437-I439 PolarHBondContact O-N 2.95Å; L437-V440 PolarHBondContact O-N 3.48Å; L437-V440 VanDerWaalsContact O-N 3.13Å; L437-D441 PolarHBondContact O-N 3.48Å; L437-F452 HydrophobicContact CB-CD2 4.31Å; L437-F452 HydrophobicContact CB-CE2 3.69Å; L437-F452 HydrophobicContact CB-CZ 4.13Å; L437-F452 HydrophobicContact CD1-CE1 4.08Å; L437-F452 HydrophobicContact CD1-CE2 4.06Å; L437-F452 HydrophobicContact CD1-CZ 3.59Å; L437-F452 HydrophobicContact CG-CE2 4.46Å; L437-F452 HydrophobicContact CG-CZ 4.43Å; L437-Q476 HydrophobicContact CD2-CB 3.57Å; L437-Q476 HydrophobicContact CD2-CG 3.84Å; L437-Q476 VanDerWaalsContact CD2-OE1 3.24Å; L437-L480 HydrophobicContact CD1-CB 4.22Å; L437-L480 HydrophobicContact CD1-CD1 4.12Å; L437-L480 HydrophobicContact CD1-CD2 3.73Å; L437-L480 HydrophobicContact CD1-CG 4.23Å
438H89.6Confident87.6Confident112 Ų11259 Ų5952%0.51930%0.302SS..Hα-helixtrans-61.8-31.1178.2-76.5-52.6000113.1A434 A435 L436 R442A434-H438 PolarHBondContact O-CD2 2.82Å; A434-H438 PolarHBondContact O-N 2.91Å; A435-H438 PolarHBondContact O-N 2.82Å; L436-H438 VanDerWaalsContact C-N 3.34Å; L436-H438 PolarHBondContact O-N 3.31Å; H438-R442 WeakPolarHBondContact O-CG 3.26Å; H438-R442 PolarHBondContact O-N 2.79Å
439I87.8Confident87.8Confident54 Ų5455.3 Ų55.328%0.27729%0.289SS..Hα-helixtrans-72.5-42174.7-63.6163.2000110.4V397 A435 L436 L437 D441 R442 G443 G444 I448V397-I439 HydrophobicContact CG1-CD1 3.31Å; V397-I439 HydrophobicContact CG2-CD1 4.47Å; A435-I439 WeakPolarHBondContact O-CG1 3.42Å; A435-I439 PolarHBondContact O-N 3.07Å; L436-I439 WeakPolarHBondContact O-CB 3.27Å; L436-I439 PolarHBondContact O-N 3.25Å; L436-I439 VanDerWaalsContact O-N 3.13Å; L437-I439 PolarHBondContact O-N 2.95Å; I439-D441 VanDerWaalsContact C-N 3.35Å; I439-R442 PolarHBondContact O-N 3.33Å; I439-G443 PolarHBondContact O-N 3.47Å; I439-G444 PolarHBondContact O-N 3.34Å; I439-G444 VanDerWaalsContact O-N 3.15Å; I439-I448 HydrophobicContact CG2-CD1 4.24Å; I439-I448 HydrophobicContact CG2-CG2 4.01Å
440V89.6Confident88Confident4 Ų457 Ų572%0.02430%0.299CS..Hα-helixtrans-62-43.3175.41740000110.7L436 L437 R442 G443 I448 V449 F452 L480 L487L436-V440 WeakPolarHBondContact O-CG2 3.48Å; L436-V440 PolarHBondContact O-N 3.29Å; L437-V440 PolarHBondContact O-N 3.48Å; L437-V440 VanDerWaalsContact O-N 3.13Å; V440-R442 VanDerWaalsContact C-N 3.25Å; V440-R442 PolarHBondContact O-N 3.13Å; V440-G443 PolarHBondContact O-N 3.27Å; V440-I448 HydrophobicContact CG2-CG2 4.22Å; V440-V449 HydrophobicContact CG1-CG2 4.14Å; V440-V449 HydrophobicContact CG2-CG2 4.3Å; V440-F452 HydrophobicContact CG2-CB 3.87Å; V440-F452 HydrophobicContact CG2-CD1 4.43Å; V440-F452 HydrophobicContact CG2-CG 4.17Å; V440-L480 HydrophobicContact CG1-CD1 4.08Å; V440-L480 HydrophobicContact CG1-CD2 4.04Å; V440-L487 HydrophobicContact CG1-CD1 3.89Å
441D88.9Confident88.1Confident40 Ų4056.8 Ų56.821%0.21430%0.299CS..Hα-helixtrans-60.6-33.3177.1-174.428.4000112.6L437 I439 G443 L480 Q483 H484L437-D441 PolarHBondContact O-N 3.48Å; I439-D441 VanDerWaalsContact C-N 3.35Å; D441-G443 PolarHBondContact O-N 3Å; D441-L480 HydrophobicContact CB-CD1 3.88Å; D441-Q483 PolarHBondContact OD1-NE2 2.9Å; D441-Q483 PolarHBondContact OD1-OE1 2.9Å; D441-Q483 PolarHBondContact OD2-NE2 3.42Å; D441-H484 PolarHBondContact O-NE2 3.34Å; D441-H484 IonicContact OD1-CD2 3.67Å; D441-H484 IonicContact OD1-NE2 2.76Å; D441-H484 PolarHBondContact OD1-NE2 3.1Å
442R87.3Confident88.2Confident228 Ų22851.7 Ų51.786%0.8627%0.272SS*.THydrogen-bonded Turntrans-81.85.4176-67.6-173.6-175.9-166.33.9114.4H438 I439 V440H438-R442 WeakPolarHBondContact O-CG 3.26Å; H438-R442 PolarHBondContact O-N 2.79Å; I439-R442 PolarHBondContact O-N 3.33Å; V440-R442 VanDerWaalsContact C-N 3.25Å; V440-R442 PolarHBondContact O-N 3.13Å
443G78.8Confident88.4Confident58 Ų5851.8 Ų51.860%0.59827%0.272SS*.THydrogen-bonded Turntrans87.751.9179.100000113.6I439 V440 D441I439-G443 PolarHBondContact O-N 3.47Å; V440-G443 PolarHBondContact O-N 3.27Å; D441-G443 PolarHBondContact O-N 3Å
444G79.3Confident88.5Confident24 Ų2459.1 Ų59.125%0.24730%0.299CS..  trans-60.2164.2175.600000114.4I439I439-G444 PolarHBondContact O-N 3.34Å; I439-G444 VanDerWaalsContact O-N 3.15Å
445S84.9Confident88.5Confident62 Ų6258.5 Ų58.543%0.43429%0.294SS..  trans-63.4157.6174.265.60000111.5D447 I448 V449S445-D447 PolarHBondContact O-N 3.04Å; S445-D447 VanDerWaalsContact O-N 3.13Å; S445-I448 PolarHBondContact O-N 3.48Å; S445-I448 VanDerWaalsContact O-N 3.08Å; S445-I448 WeakPolarHBondContact OG-CG1 3.17Å; S445-V449 WeakPolarHBondContact O-CG2 3.46Å; S445-V449 PolarHBondContact O-N 3.39Å; S445-V449 VanDerWaalsContact O-N 3.08Å
446R86.3Confident88.6Confident202 Ų20256.9 Ų56.976%0.76228%0.281SS*.Hα-helixtrans-51.5-38.6177.5-175.7179.8178.8-175.9-1.5112.1V449 V450R446-V449 PolarHBondContact O-N 3.37Å; R446-V450 WeakPolarHBondContact O-CG2 3.45Å; R446-V450 PolarHBondContact O-N 3.45Å
447D86.5Confident88.7Confident111 Ų11158.7 Ų58.759%0.59429%0.289SS*.Hα-helixtrans-66.6-41.5-178.5-59.5-18.2000111.9S445 V450 T451S445-D447 PolarHBondContact O-N 3.04Å; S445-D447 VanDerWaalsContact O-N 3.13Å; D447-V450 PolarHBondContact O-N 3.46Å; D447-T451 WeakPolarHBondContact O-CB 3.46Å; D447-T451 PolarHBondContact O-N 3.21Å; D447-T451 PolarHBondContact O-OG1 2.96Å
448I87.6Confident88.5Confident57 Ų5759.7 Ų59.729%0.29229%0.294SS..Hα-helixtrans-68.1-39.1177.3-64.3169.9000110.5I439 V440 S445 T451 F452I439-I448 HydrophobicContact CG2-CD1 4.24Å; I439-I448 HydrophobicContact CG2-CG2 4.01Å; V440-I448 HydrophobicContact CG2-CG2 4.22Å; S445-I448 PolarHBondContact O-N 3.48Å; S445-I448 VanDerWaalsContact O-N 3.08Å; S445-I448 WeakPolarHBondContact OG-CG1 3.17Å; I448-T451 PolarHBondContact O-N 3.06Å; I448-F452 WeakPolarHBondContact O-CB 3.35Å; I448-F452 PolarHBondContact O-N 3.03Å
449V89.6Confident88.5Confident13 Ų1354.4 Ų54.48%0.07927%0.269CS..Hα-helixtrans-57.6-51.7174.5175.60000110.3V440 S445 R446 T451 F452 F453 L487V440-V449 HydrophobicContact CG1-CG2 4.14Å; V440-V449 HydrophobicContact CG2-CG2 4.3Å; S445-V449 WeakPolarHBondContact O-CG2 3.46Å; S445-V449 PolarHBondContact O-N 3.39Å; S445-V449 VanDerWaalsContact O-N 3.08Å; R446-V449 PolarHBondContact O-N 3.37Å; V449-T451 VanDerWaalsContact C-N 3.29Å; V449-T451 PolarHBondContact O-N 3.01Å; V449-F452 PolarHBondContact O-N 3.14Å; V449-F453 HydrophobicContact CG1-CD2 3.94Å; V449-F453 HydrophobicContact CG1-CE2 3.84Å; V449-F453 VanDerWaalsContact O-CD2 3.22Å; V449-F453 WeakPolarHBondContact O-CD2 3.35Å; V449-F453 PolarHBondContact O-N 3.47Å; V449-F453 VanDerWaalsContact O-N 3.14Å; V449-L487 HydrophobicContact CG1-CD2 3.53Å; V449-L487 HydrophobicContact CG2-CD2 4.47Å
450V90.5Very high88.5Confident37 Ų3751.9 Ų51.922%0.22426%0.257CS..Hα-helixtrans-61.9-39.9178.31740000111.2R446 D447 F453 R454R446-V450 WeakPolarHBondContact O-CG2 3.45Å; R446-V450 PolarHBondContact O-N 3.45Å; D447-V450 PolarHBondContact O-N 3.46Å; V450-F453 PolarHBondContact O-N 3.04Å; V450-R454 HydrophobicContact CG1-CG 4.42Å; V450-R454 WeakPolarHBondContact O-CB 3.49Å; V450-R454 WeakPolarHBondContact O-CG 3.39Å; V450-R454 PolarHBondContact O-N 3.02Å
451T91.1Very high88.4Confident8 Ų855.3 Ų55.35%0.04927%0.271CS..Hα-helixtrans-62.4-43.9177.8-54.70000111.4S401 L404 L405 D447 I448 V449 R454 A455S401-T451 WeakPolarHBondContact CB-OG1 3.23Å; L404-T451 HydrophobicContact CD2-CG2 4.08Å; L405-T451 HydrophobicContact CD1-CG2 4.42Å; L405-T451 HydrophobicContact CD2-CG2 4.18Å; L405-T451 HydrophobicContact CG-CG2 4.07Å; D447-T451 WeakPolarHBondContact O-CB 3.46Å; D447-T451 PolarHBondContact O-N 3.21Å; D447-T451 PolarHBondContact O-OG1 2.96Å; I448-T451 PolarHBondContact O-N 3.06Å; V449-T451 VanDerWaalsContact C-N 3.29Å; V449-T451 PolarHBondContact O-N 3.01Å; T451-R454 PolarHBondContact O-N 3.32Å; T451-A455 VanDerWaalsContact O-CB 3.28Å; T451-A455 WeakPolarHBondContact O-CB 3.47Å; T451-A455 PolarHBondContact O-N 2.79Å
452F93.2Very high88.1Confident0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-60.1-48.9176.6167-101.4000111.8L433 L436 L437 V440 I448 V449 R454 A455 A456 L473 L477 L480L433-F452 HydrophobicContact CD1-CD2 4.24Å; L433-F452 HydrophobicContact CD1-CE2 4.04Å; L433-F452 HydrophobicContact CG-CE2 4.03Å; L436-F452 HydrophobicContact CB-CB 4.42Å; L436-F452 HydrophobicContact CB-CD2 3.93Å; L437-F452 HydrophobicContact CB-CD2 4.31Å; L437-F452 HydrophobicContact CB-CE2 3.69Å; L437-F452 HydrophobicContact CB-CZ 4.13Å; L437-F452 HydrophobicContact CD1-CE1 4.08Å; L437-F452 HydrophobicContact CD1-CE2 4.06Å; L437-F452 HydrophobicContact CD1-CZ 3.59Å; L437-F452 HydrophobicContact CG-CE2 4.46Å; L437-F452 HydrophobicContact CG-CZ 4.43Å; V440-F452 HydrophobicContact CG2-CB 3.87Å; V440-F452 HydrophobicContact CG2-CD1 4.43Å; V440-F452 HydrophobicContact CG2-CG 4.17Å; I448-F452 WeakPolarHBondContact O-CB 3.35Å; I448-F452 PolarHBondContact O-N 3.03Å; V449-F452 PolarHBondContact O-N 3.14Å; F452-R454 VanDerWaalsContact C-N 3.33Å; F452-R454 PolarHBondContact O-N 3.29Å; F452-A455 PolarHBondContact O-N 2.84Å; F452-A456 WeakPolarHBondContact O-CB 3.49Å; F452-A456 PolarHBondContact O-N 2.86Å; F452-L473 HydrophobicContact CZ-CD1 4.48Å; F452-L477 HydrophobicContact CE1-CD2 3.72Å; F452-L477 HydrophobicContact CZ-CD2 3.87Å; F452-L480 HydrophobicContact CE1-CD2 4.4Å
453F92.5Very high88Confident13 Ų1344.2 Ų44.26%0.05723%0.227CC..Hα-helixtrans-65.1-36.2179.9-78.9-75.8000112.6V449 V450 F457 L477 L487 H490 I491 L494V449-F453 HydrophobicContact CG1-CD2 3.94Å; V449-F453 HydrophobicContact CG1-CE2 3.84Å; V449-F453 VanDerWaalsContact O-CD2 3.22Å; V449-F453 WeakPolarHBondContact O-CD2 3.35Å; V449-F453 PolarHBondContact O-N 3.47Å; V449-F453 VanDerWaalsContact O-N 3.14Å; V450-F453 PolarHBondContact O-N 3.04Å; F453-F457 PolarHBondContact O-N 2.84Å; F453-L477 HydrophobicContact CE1-CD2 4.22Å; F453-L487 HydrophobicContact CE2-CD2 4.43Å; F453-L487 HydrophobicContact CZ-CB 4.44Å; F453-H490 HydrophobicContact CD1-CB 4.06Å; F453-H490 HydrophobicContact CD2-CB 3.41Å; F453-H490 VanDerWaalsContact CD2-CB 3.41Å; F453-H490 AromaticContact CD2-CG 3.97Å; F453-H490 HydrophobicContact CE1-CB 4.02Å; F453-H490 HydrophobicContact CE2-CB 3.37Å; F453-H490 HydrophobicContact CG-CB 3.79Å; F453-H490 HydrophobicContact CZ-CB 3.69Å; F453-I491 HydrophobicContact CE1-CB 4.39Å; F453-I491 HydrophobicContact CE1-CG1 3.58Å; F453-I491 HydrophobicContact CZ-CG1 3.7Å; F453-L494 HydrophobicContact CD1-CB 4.3Å; F453-L494 HydrophobicContact CD1-CD2 4.17Å
454R92.2Very high88.1Confident154 Ų15445 Ų4558%0.58122%0.215SC*.Hα-helixtrans-67.1-41.3172.6-71.8177.1178.2-174.4-1.2112.1L405 V450 T451 F452 F457 L458L405-R454 HydrophobicContact CD1-CB 3.96Å; L405-R454 HydrophobicContact CD2-CB 3.76Å; V450-R454 HydrophobicContact CG1-CG 4.42Å; V450-R454 WeakPolarHBondContact O-CB 3.49Å; V450-R454 WeakPolarHBondContact O-CG 3.39Å; V450-R454 PolarHBondContact O-N 3.02Å; T451-R454 PolarHBondContact O-N 3.32Å; F452-R454 VanDerWaalsContact C-N 3.33Å; F452-R454 PolarHBondContact O-N 3.29Å; R454-F457 PolarHBondContact O-N 3.37Å; R454-L458 WeakPolarHBondContact O-CG 3.34Å; R454-L458 PolarHBondContact O-N 3.05Å
455A91.8Very high88.2Confident0 Ų048.5 Ų48.50%022%0.224CC..Hα-helixtrans-64.7-40.7175.600000111.9L405 L408 L433 L436 T451 F452 F457 L458 F459L405-A455 HydrophobicContact CD2-CB 4.01Å; L408-A455 HydrophobicContact CD1-CB 3.85Å; L433-A455 HydrophobicContact CD1-CB 4.05Å; L436-A455 HydrophobicContact CD1-CB 4.4Å; T451-A455 VanDerWaalsContact O-CB 3.28Å; T451-A455 WeakPolarHBondContact O-CB 3.47Å; T451-A455 PolarHBondContact O-N 2.79Å; F452-A455 PolarHBondContact O-N 2.84Å; A455-F457 VanDerWaalsContact C-N 3.35Å; A455-L458 PolarHBondContact O-N 2.86Å; A455-F459 WeakPolarHBondContact O-CB 3.3Å; A455-F459 PolarHBondContact O-N 2.89Å
456A92Very high88.1Confident0 Ų046.7 Ų46.70%021%0.211CC..Hα-helixtrans-62.7-41.8174.500000111.4L433 F452 F459 L460 L473 L494L433-A456 HydrophobicContact CD1-CB 4.06Å; F452-A456 WeakPolarHBondContact O-CB 3.49Å; F452-A456 PolarHBondContact O-N 2.86Å; A456-F459 PolarHBondContact O-N 2.91Å; A456-L460 VanDerWaalsContact O-CG 3.27Å; A456-L460 WeakPolarHBondContact O-CG 3.43Å; A456-L460 PolarHBondContact O-N 3.44Å; A456-L473 HydrophobicContact CB-CD2 4.42Å; A456-L494 HydrophobicContact CB-CD2 4.28Å
457F91.4Very high88Confident44 Ų4444.5 Ų44.519%0.19321%0.209CC..Hα-helixtrans-60.9-49.4173.8179.1-101.2000111.9F453 R454 A455 F459 L460 F461 L494 Q497 T498 R501F453-F457 PolarHBondContact O-N 2.84Å; R454-F457 PolarHBondContact O-N 3.37Å; A455-F457 VanDerWaalsContact C-N 3.35Å; F457-F459 VanDerWaalsContact C-N 3.32Å; F457-F459 PolarHBondContact O-N 3Å; F457-L460 PolarHBondContact O-N 3.27Å; F457-F461 HydrophobicContact CZ-CD2 4.41Å; F457-F461 WeakPolarHBondContact O-CB 3.49Å; F457-F461 PolarHBondContact O-N 3.45Å; F457-L494 HydrophobicContact CB-CD1 3.57Å; F457-L494 HydrophobicContact CD2-CD1 4.06Å; F457-L494 HydrophobicContact CG-CD1 4.32Å; F457-Q497 HydrophobicContact CD2-CB 4.19Å; F457-Q497 HydrophobicContact CE2-CB 3.86Å; F457-T498 HydrophobicContact CD2-CG2 3.82Å; F457-T498 HydrophobicContact CE2-CG2 4.02Å; F457-R501 HydrophobicContact CZ-CB 4.26Å; F457-R501 HydrophobicContact CZ-CG 4.12Å
458L88.3Confident87.9Confident32 Ų3248 Ų4817%0.16821%0.214CC..Hα-helixtrans-59.6-42.5177.3-71.8172.9000111.9L405 L408 N409 R454 A455 L460 F461 Y462L405-L458 HydrophobicContact CD2-CD1 4.14Å; L408-L458 HydrophobicContact CD2-CB 3.63Å; L408-L458 HydrophobicContact CD2-CD1 3.98Å; L408-L458 HydrophobicContact CD2-CG 4.47Å; N409-L458 HydrophobicContact CB-CD1 4.49Å; R454-L458 WeakPolarHBondContact O-CG 3.34Å; R454-L458 PolarHBondContact O-N 3.05Å; A455-L458 PolarHBondContact O-N 2.86Å; L458-L460 PolarHBondContact O-N 2.72Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.31Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.38Å; L458-Y462 PolarHBondContact O-N 3.26Å
459F89.6Confident87.9Confident1 Ų147 Ų470%0.00421%0.207CC..Hα-helixtrans-59.6-46.8175.8179.3-93.9000111.8L426 I429 Y430 A455 A456 F457 F461 F463 Y469L426-F459 HydrophobicContact CD1-CE2 3.71Å; L426-F459 HydrophobicContact CD1-CZ 4.2Å; I429-F459 HydrophobicContact CG2-CD2 3.78Å; I429-F459 HydrophobicContact CG2-CE2 4.29Å; Y430-F459 HydrophobicContact CD2-CE1 4.22Å; Y430-F459 HydrophobicContact CD2-CE2 4.37Å; Y430-F459 AromaticContact CD2-CZ 3.9Å; Y430-F459 HydrophobicContact CD2-CZ 3.9Å; A455-F459 WeakPolarHBondContact O-CB 3.3Å; A455-F459 PolarHBondContact O-N 2.89Å; A456-F459 PolarHBondContact O-N 2.91Å; F457-F459 VanDerWaalsContact C-N 3.32Å; F457-F459 PolarHBondContact O-N 3Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F463 AromaticContact CD2-CD2 3.86Å; F459-F463 HydrophobicContact CD2-CD2 3.86Å; F459-F463 HydrophobicContact CE1-CB 4.44Å; F459-F463 HydrophobicContact CE2-CB 4.22Å; F459-F463 AromaticContact CE2-CD2 3.96Å; F459-F463 HydrophobicContact CE2-CD2 3.96Å; F459-F463 HydrophobicContact CE2-CG 4.4Å; F459-F463 HydrophobicContact CZ-CB 4.14Å; F459-F463 WeakPolarHBondContact O-CA 3.32Å; F459-F463 WeakPolarHBondContact O-CB 3.25Å; F459-F463 PolarHBondContact O-N 3.35Å; F459-Y469 HydrophobicContact CZ-CD2 4.38Å; F459-Y469 HydrophobicContact CZ-CG 4.14Å
460L88.2Confident87.7Confident2 Ų246.7 Ų46.71%0.0121%0.206CC..Hα-helixtrans-66.3-36.6177.5-69.3166.7000111.7A456 F457 L458 Y462 H464 L473 L494 T498 W507A456-L460 VanDerWaalsContact O-CG 3.27Å; A456-L460 WeakPolarHBondContact O-CG 3.43Å; A456-L460 PolarHBondContact O-N 3.44Å; F457-L460 PolarHBondContact O-N 3.27Å; L458-L460 PolarHBondContact O-N 2.72Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 2.91Å; L460-H464 WeakPolarHBondContact O-CB 3.49Å; L460-H464 PolarHBondContact O-N 2.94Å; L460-H464 VanDerWaalsContact O-N 3.11Å; L460-L473 HydrophobicContact CD1-CD2 4.21Å; L460-L473 HydrophobicContact CD2-CD2 4.19Å; L460-L473 HydrophobicContact CG-CD2 4.17Å; L460-L494 HydrophobicContact CD1-CD1 4.39Å; L460-T498 HydrophobicContact CD1-CG2 4.17Å; L460-W507 HydrophobicContact CD1-CD2 3.97Å; L460-W507 HydrophobicContact CD1-CE3 3.75Å; L460-W507 HydrophobicContact CD1-CH2 3.39Å; L460-W507 HydrophobicContact CD1-CZ2 3.61Å; L460-W507 HydrophobicContact CD1-CZ3 3.47Å; L460-W507 VanDerWaalsContact CD1-CZ3 3.47Å; L460-W507 HydrophobicContact CD2-CD2 3.81Å; L460-W507 HydrophobicContact CD2-CE3 4.38Å; L460-W507 HydrophobicContact CD2-CG 4.05Å; L460-W507 HydrophobicContact CD2-CZ2 4.17Å
461F86.4Confident87.6Confident75 Ų7548.7 Ų48.733%0.32922%0.218SC..Hα-helixtrans-57.1-47178.7-172-102.5000112.1F457 L458 F459 L502F457-F461 HydrophobicContact CZ-CD2 4.41Å; F457-F461 WeakPolarHBondContact O-CB 3.49Å; F457-F461 PolarHBondContact O-N 3.45Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.31Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F461-L502 HydrophobicContact CD2-CD1 4.25Å; F461-L502 HydrophobicContact CD2-CD2 4.19Å; F461-L502 HydrophobicContact CD2-CG 4.31Å; F461-L502 HydrophobicContact CE2-CD2 4.27Å
462Y83.4Confident87.5Confident27 Ų2750.3 Ų50.311%0.10623%0.229CC..Hα-helixtrans-87.4-38.2179.7-63.7-67.4000114N409 A412 L413 L416 L458 L460 H465N409-Y462 VanDerWaalsContact OD1-CE2 3.24Å; N409-Y462 WeakPolarHBondContact OD1-CE2 3.39Å; N409-Y462 PolarHBondContact OD1-OH 3.5Å; A412-Y462 HydrophobicContact CB-CD2 3.47Å; A412-Y462 VanDerWaalsContact CB-CD2 3.47Å; A412-Y462 HydrophobicContact CB-CE2 4.03Å; A412-Y462 HydrophobicContact CB-CG 4Å; L413-Y462 HydrophobicContact CD2-CD1 4.28Å; L413-Y462 HydrophobicContact CD2-CE1 3.43Å; L413-Y462 VanDerWaalsContact CD2-CE1 3.43Å; L413-Y462 HydrophobicContact CG-CE1 4.21Å; L416-Y462 HydrophobicContact CD2-CD1 4.37Å; L458-Y462 VanDerWaalsContact O-CD2 3.24Å; L458-Y462 WeakPolarHBondContact O-CD2 3.38Å; L458-Y462 PolarHBondContact O-N 3.26Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-Y462 PolarHBondContact O-N 2.91Å; Y462-H465 PolarHBondContact O-CE1 3.4Å; Y462-H465 PolarHBondContact O-ND1 3.06Å
463F84.8Confident87.4Confident8 Ų850.3 Ų50.34%0.03523%0.229CC..Hα-helixtrans-116.921.9-166-54.8-68.4000115A412 F415 L426 I429 F459 H465 V466A412-F463 HydrophobicContact CB-CE2 3.65Å; A412-F463 HydrophobicContact CB-CZ 4.09Å; A412-F463 WeakPolarHBondContact O-CZ 3.32Å; F415-F463 HydrophobicContact CB-CZ 4.14Å; L426-F463 HydrophobicContact CD1-CB 4.04Å; L426-F463 HydrophobicContact CD1-CD1 3.62Å; L426-F463 HydrophobicContact CD1-CD2 3.7Å; L426-F463 HydrophobicContact CD1-CE1 3.93Å; L426-F463 HydrophobicContact CD1-CE2 3.99Å; L426-F463 HydrophobicContact CD1-CG 3.5Å; L426-F463 VanDerWaalsContact CD1-CG 3.5Å; L426-F463 HydrophobicContact CD1-CZ 4.1Å; I429-F463 HydrophobicContact CD1-CE2 4.35Å; F459-F463 AromaticContact CD2-CD2 3.86Å; F459-F463 HydrophobicContact CD2-CD2 3.86Å; F459-F463 HydrophobicContact CE1-CB 4.44Å; F459-F463 HydrophobicContact CE2-CB 4.22Å; F459-F463 AromaticContact CE2-CD2 3.96Å; F459-F463 HydrophobicContact CE2-CD2 3.96Å; F459-F463 HydrophobicContact CE2-CG 4.4Å; F459-F463 HydrophobicContact CZ-CB 4.14Å; F459-F463 WeakPolarHBondContact O-CA 3.32Å; F459-F463 WeakPolarHBondContact O-CB 3.25Å; F459-F463 PolarHBondContact O-N 3.35Å; F463-H465 PolarHBondContact O-N 2.87Å; F463-H465 VanDerWaalsContact O-N 3.13Å; F463-V466 PolarHBondContact O-N 3.18Å; F463-V466 VanDerWaalsContact O-N 3.1Å
464H81.1Confident87.3Confident75 Ų7550.3 Ų50.335%0.34723%0.231SC..THydrogen-bonded Turntrans-56.8-27.4177.765.1-73.1000114.4L460 V466L460-H464 WeakPolarHBondContact O-CB 3.49Å; L460-H464 PolarHBondContact O-N 2.94Å; L460-H464 VanDerWaalsContact O-N 3.11Å; H464-V466 PolarHBondContact O-N 2.85Å
465H80.9Confident87.2Confident97 Ų9749.7 Ų49.745%0.44923%0.234SC..THydrogen-bonded Turntrans-66.2-20.9179.258.1-87000113Y462 F463 E467Y462-H465 PolarHBondContact O-CE1 3.4Å; Y462-H465 PolarHBondContact O-ND1 3.06Å; F463-H465 PolarHBondContact O-N 2.87Å; F463-H465 VanDerWaalsContact O-N 3.13Å; H465-E467 PolarHBondContact O-N 2.98Å; H465-E467 VanDerWaalsContact O-N 3.11Å
466V83.8Confident87.2Confident24 Ų2451.9 Ų51.915%0.14525%0.245CC..  trans-85.686179.2-1690000110.4L426 F463 H464 R468 Y469 A470L426-V466 HydrophobicContact CD2-CB 4.43Å; L426-V466 HydrophobicContact CD2-CG1 4.22Å; L426-V466 HydrophobicContact CD2-CG2 3.92Å; F463-V466 PolarHBondContact O-N 3.18Å; F463-V466 VanDerWaalsContact O-N 3.1Å; H464-V466 PolarHBondContact O-N 2.85Å; V466-R468 PolarHBondContact O-N 3.37Å; V466-R468 VanDerWaalsContact O-N 3.1Å; V466-Y469 HydrophobicContact CB-CD2 4.31Å; V466-Y469 HydrophobicContact CG1-CD2 3.58Å; V466-Y469 HydrophobicContact CG1-CE2 4.15Å; V466-Y469 PolarHBondContact O-N 3.37Å; V466-A470 PolarHBondContact O-N 3.39Å
467E82.4Confident87.1Confident156 Ų15651.9 Ų51.973%0.72925%0.245SC*.Hα-helixtrans-54.2-35.3-172.3-65.7-171.1168.100114H465 Y469 A470 T471H465-E467 PolarHBondContact O-N 2.98Å; H465-E467 VanDerWaalsContact O-N 3.11Å; E467-Y469 PolarHBondContact O-N 3.1Å; E467-A470 PolarHBondContact O-N 2.99Å; E467-T471 WeakPolarHBondContact O-CB 3.22Å; E467-T471 VanDerWaalsContact O-CG2 3.25Å; E467-T471 WeakPolarHBondContact O-CG2 3.48Å; E467-T471 PolarHBondContact O-N 3.24Å; E467-T471 PolarHBondContact O-OG1 3.43Å
468R86.1Confident87.1Confident184 Ų18450.1 Ų50.169%0.69424%0.238SC*.Hα-helixtrans-59.3-46.7-179.1177.5-178.8172.7-174.1-4.4112.6V466 T471 C472V466-R468 PolarHBondContact O-N 3.37Å; V466-R468 VanDerWaalsContact O-N 3.1Å; R468-T471 PolarHBondContact O-OG1 2.94Å; R468-C472 WeakPolarHBondContact O-CB 3.38Å; R468-C472 PolarHBondContact O-N 3.31Å
469Y86.2Confident87.2Confident38 Ų3853.9 Ų53.915%0.14925%0.254CS..Hα-helixtrans-76.8-38.1-179-68.5-59000111.2L426 Y430 F459 V466 E467 T471 C472 L473L426-Y469 HydrophobicContact CD2-CD2 3.9Å; L426-Y469 HydrophobicContact CD2-CE2 3.65Å; L426-Y469 HydrophobicContact CG-CD2 4.12Å; L426-Y469 HydrophobicContact CG-CE2 3.81Å; Y430-Y469 AromaticContact CD1-CD1 3.51Å; Y430-Y469 HydrophobicContact CD1-CD1 3.51Å; Y430-Y469 AromaticContact CD1-CE1 3.71Å; Y430-Y469 HydrophobicContact CD1-CE1 3.71Å; Y430-Y469 AromaticContact CD2-CD1 3.43Å; Y430-Y469 HydrophobicContact CD2-CD1 3.43Å; Y430-Y469 VanDerWaalsContact CD2-CD1 3.43Å; Y430-Y469 HydrophobicContact CD2-CE1 4.29Å; Y430-Y469 AromaticContact CD2-CG 3.83Å; Y430-Y469 HydrophobicContact CD2-CG 3.83Å; Y430-Y469 AromaticContact CE1-CD1 3.9Å; Y430-Y469 HydrophobicContact CE1-CD1 3.9Å; Y430-Y469 HydrophobicContact CE1-CE1 4.38Å; Y430-Y469 AromaticContact CE2-CD1 3.83Å; Y430-Y469 HydrophobicContact CE2-CD1 3.83Å; Y430-Y469 HydrophobicContact CE2-CG 4.26Å; Y430-Y469 AromaticContact CG-CD1 3.25Å; Y430-Y469 HydrophobicContact CG-CD1 3.25Å; Y430-Y469 AromaticContact CG-CE1 3.66Å; Y430-Y469 HydrophobicContact CG-CE1 3.66Å; Y430-Y469 HydrophobicContact CG-CG 4.03Å; F459-Y469 HydrophobicContact CZ-CD2 4.38Å; F459-Y469 HydrophobicContact CZ-CG 4.14Å; V466-Y469 HydrophobicContact CB-CD2 4.31Å; V466-Y469 HydrophobicContact CG1-CD2 3.58Å; V466-Y469 HydrophobicContact CG1-CE2 4.15Å; V466-Y469 PolarHBondContact O-N 3.37Å; E467-Y469 PolarHBondContact O-N 3.1Å; Y469-T471 PolarHBondContact O-N 3.12Å; Y469-C472 PolarHBondContact O-N 3.48Å; Y469-L473 VanDerWaalsContact O-CB 3.31Å; Y469-L473 WeakPolarHBondContact O-CB 3.4Å; Y469-L473 PolarHBondContact O-N 3.25Å
470A86.3Confident87.1Confident6 Ų654 Ų545%0.0526%0.255CS..Hα-helixtrans-63.2-41.7178.100000111.9V466 E467 S474 W507V466-A470 PolarHBondContact O-N 3.39Å; E467-A470 PolarHBondContact O-N 2.99Å; A470-S474 PolarHBondContact O-N 2.83Å; A470-S474 VanDerWaalsContact O-N 3.08Å; A470-S474 PolarHBondContact O-OG 2.82Å; A470-W507 PolarHBondContact O-NE1 2.92Å
471T87.6Confident87.2Confident78 Ų7853.9 Ų53.948%0.47925%0.254SS..Hα-helixtrans-67.9-45.217551.10000112.1E467 R468 Y469 L473 S474 E475E467-T471 WeakPolarHBondContact O-CB 3.22Å; E467-T471 VanDerWaalsContact O-CG2 3.25Å; E467-T471 WeakPolarHBondContact O-CG2 3.48Å; E467-T471 PolarHBondContact O-N 3.24Å; E467-T471 PolarHBondContact O-OG1 3.43Å; R468-T471 PolarHBondContact O-OG1 2.94Å; Y469-T471 PolarHBondContact O-N 3.12Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 2.87Å; T471-S474 WeakPolarHBondContact O-CB 3.28Å; T471-S474 PolarHBondContact O-N 3.13Å; T471-S474 VanDerWaalsContact O-N 3.08Å; T471-E475 PolarHBondContact O-N 3.2Å
472C89.5Confident87.1Confident42 Ų4254 Ų5428%0.28426%0.258SS..Hα-helixtrans-61.5-41177-1700000112.1Y430 R468 Y469 S474 E475 Q476Y430-C472 WeakPolarHBondContact OH-CB 3.5Å; Y430-C472 PolarHBondContact OH-SG 3.07Å; R468-C472 WeakPolarHBondContact O-CB 3.38Å; R468-C472 PolarHBondContact O-N 3.31Å; Y469-C472 PolarHBondContact O-N 3.48Å; C472-S474 VanDerWaalsContact C-N 3.29Å; C472-S474 PolarHBondContact O-N 3.3Å; C472-E475 PolarHBondContact O-N 3.07Å; C472-Q476 WeakPolarHBondContact O-CB 3.48Å; C472-Q476 WeakPolarHBondContact O-CG 3.4Å; C472-Q476 PolarHBondContact O-N 3.27Å
473L90.9Very high87.1Confident0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-61.2-39.6173.6-177.860000111.4Y430 L433 F452 A456 L460 Y469 T471 Q476 L477 W507Y430-L473 HydrophobicContact CE2-CB 4.35Å; Y430-L473 PolarHBondContact OH-N 3.05Å; L433-L473 HydrophobicContact CD2-CD1 3.63Å; L433-L473 HydrophobicContact CD2-CD2 4.09Å; L433-L473 HydrophobicContact CD2-CG 4.42Å; F452-L473 HydrophobicContact CZ-CD1 4.48Å; A456-L473 HydrophobicContact CB-CD2 4.42Å; L460-L473 HydrophobicContact CD1-CD2 4.21Å; L460-L473 HydrophobicContact CD2-CD2 4.19Å; L460-L473 HydrophobicContact CG-CD2 4.17Å; Y469-L473 VanDerWaalsContact O-CB 3.31Å; Y469-L473 WeakPolarHBondContact O-CB 3.4Å; Y469-L473 PolarHBondContact O-N 3.25Å; T471-L473 VanDerWaalsContact C-N 3.34Å; T471-L473 PolarHBondContact O-N 2.87Å; L473-Q476 PolarHBondContact O-N 3.03Å; L473-L477 HydrophobicContact CD1-CD1 4.32Å; L473-L477 HydrophobicContact CD1-CG 4.17Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.34Å; L473-L477 WeakPolarHBondContact O-CB 3.35Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.15Å; L473-W507 HydrophobicContact CD2-CZ2 4.19Å; L473-W507 HydrophobicContact CG-CZ2 4.37Å
474S90.5Very high87.1Confident14 Ų1459.2 Ų59.210%0.09828%0.283CS..Hα-helixtrans-62.6-46177.6-56.50000111.8A470 T471 C472 Q476 L477 C478 W507A470-S474 PolarHBondContact O-N 2.83Å; A470-S474 VanDerWaalsContact O-N 3.08Å; A470-S474 PolarHBondContact O-OG 2.82Å; T471-S474 WeakPolarHBondContact O-CB 3.28Å; T471-S474 PolarHBondContact O-N 3.13Å; T471-S474 VanDerWaalsContact O-N 3.08Å; C472-S474 VanDerWaalsContact C-N 3.29Å; C472-S474 PolarHBondContact O-N 3.3Å; S474-Q476 VanDerWaalsContact C-N 3.34Å; S474-L477 PolarHBondContact O-N 3.24Å; S474-C478 WeakPolarHBondContact O-CB 3.44Å; S474-C478 PolarHBondContact O-N 3.1Å; S474-C478 PolarHBondContact O-SG 2.88Å; S474-W507 PolarHBondContact OG-NE1 3.47Å
475E90.6Very high87.2Confident140 Ų14056.2 Ų56.265%0.65427%0.27SS*.Hα-helixtrans-61.8-43.5176.9-68.4-179.6168.900111.6T471 C472 C478 H479T471-E475 PolarHBondContact O-N 3.2Å; C472-E475 PolarHBondContact O-N 3.07Å; E475-C478 WeakPolarHBondContact O-CB 3.23Å; E475-C478 PolarHBondContact O-N 2.97Å; E475-H479 PolarHBondContact O-N 3.3Å
476Q90.4Very high87.3Confident46 Ų4660.9 Ų60.922%0.21528%0.284CS..Hα-helixtrans-64-44177.4-80.1-176.9-6.200113Y430 L437 C472 L473 S474 C478 H479 L480Y430-Q476 PolarHBondContact OH-OE1 3.37Å; L437-Q476 HydrophobicContact CD2-CB 3.57Å; L437-Q476 HydrophobicContact CD2-CG 3.84Å; L437-Q476 VanDerWaalsContact CD2-OE1 3.24Å; C472-Q476 WeakPolarHBondContact O-CB 3.48Å; C472-Q476 WeakPolarHBondContact O-CG 3.4Å; C472-Q476 PolarHBondContact O-N 3.27Å; L473-Q476 PolarHBondContact O-N 3.03Å; S474-Q476 VanDerWaalsContact C-N 3.34Å; Q476-C478 VanDerWaalsContact C-N 3.32Å; Q476-C478 PolarHBondContact O-N 3.38Å; Q476-H479 PolarHBondContact O-N 3.42Å; Q476-L480 WeakPolarHBondContact O-CB 3.17Å; Q476-L480 PolarHBondContact O-N 3.27Å
477L91.8Very high87.4Confident0 Ų060.6 Ų60.60%028%0.282CS..Hα-helixtrans-64.3-37175.1-72.7174.7000111.8F452 F453 L473 S474 L480 F481 L494 W507 L511F452-L477 HydrophobicContact CE1-CD2 3.72Å; F452-L477 HydrophobicContact CZ-CD2 3.87Å; F453-L477 HydrophobicContact CE1-CD2 4.22Å; L473-L477 HydrophobicContact CD1-CD1 4.32Å; L473-L477 HydrophobicContact CD1-CG 4.17Å; L473-L477 HydrophobicContact CG-CD1 4.05Å; L473-L477 HydrophobicContact CG-CG 4.34Å; L473-L477 WeakPolarHBondContact O-CB 3.35Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.45Å; L473-L477 PolarHBondContact O-N 3.15Å; S474-L477 PolarHBondContact O-N 3.24Å; L477-L480 HydrophobicContact CD2-CD2 4.5Å; L477-L480 PolarHBondContact O-N 2.97Å; L477-F481 WeakPolarHBondContact O-CB 3.48Å; L477-F481 PolarHBondContact O-N 2.99Å; L477-L494 HydrophobicContact CD1-CD2 4.04Å; L477-W507 HydrophobicContact CD1-CH2 3.98Å; L477-W507 HydrophobicContact CD1-CZ2 3.96Å; L477-L511 HydrophobicContact CB-CD1 3.95Å; L477-L511 HydrophobicContact CD1-CD1 4.33Å; L477-L511 HydrophobicContact CD1-CD2 4.06Å
478C90.9Very high87.5Confident7 Ų753.3 Ų53.35%0.04725%0.248CC..Hα-helixtrans-63.9-41.7174.3-69.40000112S474 E475 Q476 L482 L515 V518S474-C478 WeakPolarHBondContact O-CB 3.44Å; S474-C478 PolarHBondContact O-N 3.1Å; S474-C478 PolarHBondContact O-SG 2.88Å; E475-C478 WeakPolarHBondContact O-CB 3.23Å; E475-C478 PolarHBondContact O-N 2.97Å; Q476-C478 VanDerWaalsContact C-N 3.32Å; Q476-C478 PolarHBondContact O-N 3.38Å; C478-L482 PolarHBondContact O-N 3.42Å; C478-L515 HydrophobicContact CB-CD2 4.47Å; C478-L515 PolarHBondContact SG-N 3.41Å; C478-V518 HydrophobicContact CB-CG2 4.09Å
479H89.6Confident87.5Confident112 Ų11248.4 Ų48.452%0.51924%0.24SC..Hα-helixtrans-64.9-45.5175.1-173.7-87.2000111.6E475 Q476 F481 L482 Q483E475-H479 PolarHBondContact O-N 3.3Å; Q476-H479 PolarHBondContact O-N 3.42Å; H479-F481 VanDerWaalsContact C-N 3.3Å; H479-F481 PolarHBondContact O-N 3.08Å; H479-L482 WeakPolarHBondContact O-CB 3.38Å; H479-L482 PolarHBondContact O-N 3.26Å; H479-Q483 PolarHBondContact CE1-NE2 2.9Å; H479-Q483 VanDerWaalsContact CE1-NE2 3.28Å; H479-Q483 PolarHBondContact CE1-OE1 3.36Å; H479-Q483 VanDerWaalsContact ND1-CD 3.34Å; H479-Q483 PolarHBondContact ND1-OE1 3.48Å; H479-Q483 PolarHBondContact O-N 3.44Å; H479-Q483 PolarHBondContact O-OE1 3.31Å
480L88.5Confident87.6Confident2 Ų249.1 Ų49.11%0.0125%0.245CC..Hα-helixtrans-59-42.3177.6-175.774.4000111.7L437 V440 D441 F452 Q476 L477 L482 Q483 H484 L487L437-L480 HydrophobicContact CD1-CB 4.22Å; L437-L480 HydrophobicContact CD1-CD1 4.12Å; L437-L480 HydrophobicContact CD1-CD2 3.73Å; L437-L480 HydrophobicContact CD1-CG 4.23Å; V440-L480 HydrophobicContact CG1-CD1 4.08Å; V440-L480 HydrophobicContact CG1-CD2 4.04Å; D441-L480 HydrophobicContact CB-CD1 3.88Å; F452-L480 HydrophobicContact CE1-CD2 4.4Å; Q476-L480 WeakPolarHBondContact O-CB 3.17Å; Q476-L480 PolarHBondContact O-N 3.27Å; L477-L480 HydrophobicContact CD2-CD2 4.5Å; L477-L480 PolarHBondContact O-N 2.97Å; L480-L482 VanDerWaalsContact C-N 3.34Å; L480-L482 PolarHBondContact O-N 3.23Å; L480-Q483 PolarHBondContact O-N 3.46Å; L480-H484 PolarHBondContact O-N 3.11Å; L480-L487 HydrophobicContact CD1-CD1 4.3Å; L480-L487 HydrophobicContact CD2-CD1 3.69Å; L480-L487 HydrophobicContact CG-CD1 3.85Å
481F88.6Confident87.7Confident0 Ų048.9 Ų48.90%024%0.242CC..Hα-helixtrans-61.6-40178.4174.1-101.2000112.7L477 H479 Q483 H484 T485 A488 I491 L515 I519 H535 V538L477-F481 WeakPolarHBondContact O-CB 3.48Å; L477-F481 PolarHBondContact O-N 2.99Å; H479-F481 VanDerWaalsContact C-N 3.3Å; H479-F481 PolarHBondContact O-N 3.08Å; F481-Q483 VanDerWaalsContact C-N 3.33Å; F481-Q483 PolarHBondContact O-N 2.67Å; F481-H484 CarbonylContact O-C 3.27Å; F481-H484 VanDerWaalsContact O-C 3.27Å; F481-H484 PolarHBondContact O-N 2.59Å; F481-T485 PolarHBondContact O-N 3.5Å; F481-A488 HydrophobicContact CE2-CB 3.98Å; F481-I491 HydrophobicContact CB-CD1 3.76Å; F481-I491 HydrophobicContact CD2-CD1 3.81Å; F481-I491 HydrophobicContact CG-CD1 4.18Å; F481-L515 HydrophobicContact CB-CD2 3.9Å; F481-L515 HydrophobicContact CD1-CD2 3.82Å; F481-L515 HydrophobicContact CG-CD2 3.86Å; F481-I519 HydrophobicContact CE1-CD1 3.74Å; F481-I519 HydrophobicContact CE1-CG1 3.7Å; F481-I519 HydrophobicContact CZ-CD1 4.13Å; F481-I519 HydrophobicContact CZ-CG1 4.49Å; F481-H535 AromaticContact CE1-CD2 3.44Å; F481-H535 VanDerWaalsContact CE1-CD2 3.44Å; F481-H535 WeakPolarHBondContact CE1-CD2 3.48Å; F481-H535 AromaticContact CE1-NE2 3.72Å; F481-H535 AromaticContact CZ-CD2 3.52Å; F481-H535 AromaticContact CZ-NE2 3.99Å; F481-V538 HydrophobicContact CE2-CG2 3.76Å; F481-V538 HydrophobicContact CZ-CB 4.43Å; F481-V538 HydrophobicContact CZ-CG2 3.84Å
482L84.8Confident87.8Confident77 Ų7746.4 Ų46.440%0.40323%0.226SC..Hα-helixtrans-63.4-39.1175.4-77.7-179.9000112.8C478 H479 L480 V518 V522C478-L482 PolarHBondContact O-N 3.42Å; H479-L482 WeakPolarHBondContact O-CB 3.38Å; H479-L482 PolarHBondContact O-N 3.26Å; L480-L482 VanDerWaalsContact C-N 3.34Å; L480-L482 PolarHBondContact O-N 3.23Å; L482-V518 HydrophobicContact CD1-CG1 3.36Å; L482-V518 HydrophobicContact CD2-CG1 3.35Å; L482-V518 HydrophobicContact CG-CG1 3.18Å; L482-V522 HydrophobicContact CD2-CG2 3.58Å
483Q84.1Confident87.7Confident83 Ų8348.7 Ų48.739%0.38824%0.236SC..Hα-helixtrans-73.4-36.2179.1-66.7168.5-63.900111.2D441 H479 L480 F481D441-Q483 PolarHBondContact OD1-NE2 2.9Å; D441-Q483 PolarHBondContact OD1-OE1 2.9Å; D441-Q483 PolarHBondContact OD2-NE2 3.42Å; H479-Q483 PolarHBondContact CE1-NE2 2.9Å; H479-Q483 VanDerWaalsContact CE1-NE2 3.28Å; H479-Q483 PolarHBondContact CE1-OE1 3.36Å; H479-Q483 VanDerWaalsContact ND1-CD 3.34Å; H479-Q483 PolarHBondContact ND1-OE1 3.48Å; H479-Q483 PolarHBondContact O-N 3.44Å; H479-Q483 PolarHBondContact O-OE1 3.31Å; L480-Q483 PolarHBondContact O-N 3.46Å; F481-Q483 VanDerWaalsContact C-N 3.33Å; F481-Q483 PolarHBondContact O-N 2.67Å
484H84.5Confident87.7Confident63 Ų6349 Ų4929%0.29224%0.237SC..  trans-135.478.6-173.5-59.4-71.7000112.6D441 L480 F481 R486 L487D441-H484 PolarHBondContact O-NE2 3.34Å; D441-H484 IonicContact OD1-CD2 3.67Å; D441-H484 IonicContact OD1-NE2 2.76Å; D441-H484 PolarHBondContact OD1-NE2 3.1Å; L480-H484 PolarHBondContact O-N 3.11Å; F481-H484 CarbonylContact O-C 3.27Å; F481-H484 VanDerWaalsContact O-C 3.27Å; F481-H484 PolarHBondContact O-N 2.59Å; H484-R486 PolarHBondContact O-N 3.47Å; H484-L487 HydrophobicContact CB-CD1 3.78Å; H484-L487 HydrophobicContact CB-CG 3.99Å; H484-L487 WeakPolarHBondContact O-CB 3.23Å; H484-L487 PolarHBondContact O-N 3.3Å
485T83.8Confident87.5Confident11 Ų1148.4 Ų48.47%0.06723%0.233CC..G310 helixtrans-59.4-18.7179.460.90000114.5F481 L487 A488 D531 S534F481-T485 PolarHBondContact O-N 3.5Å; T485-L487 PolarHBondContact O-N 3.31Å; T485-A488 WeakPolarHBondContact O-CB 3.41Å; T485-A488 PolarHBondContact O-N 2.96Å; T485-D531 HydrophobicContact CG2-CB 3.85Å; T485-D531 PolarHBondContact OG1-OD1 2.95Å; T485-S534 WeakPolarHBondContact O-CB 3.27Å; T485-S534 PolarHBondContact O-OG 3.42Å
486R82.4Confident87.3Confident195 Ų19543.9 Ų43.974%0.73621%0.213SC*.G310 helixtrans-69.6-15.3175.6-62.7-178.2-176.6-175-0.2113.4H484 A488 P489H484-R486 PolarHBondContact O-N 3.47Å; R486-A488 VanDerWaalsContact C-N 3.26Å; R486-A488 PolarHBondContact O-N 2.96Å; R486-P489 WeakPolarHBondContact O-CD 3.32Å
487L85.1Confident87.1Confident19 Ų1944.7 Ų44.710%0.09922%0.217CC..G310 helixtrans-82.3-2.3178.2-62.1178.7000113.4V440 V449 F453 L480 H484 T485 P489 H490 I491V440-L487 HydrophobicContact CG1-CD1 3.89Å; V449-L487 HydrophobicContact CG1-CD2 3.53Å; V449-L487 HydrophobicContact CG2-CD2 4.47Å; F453-L487 HydrophobicContact CE2-CD2 4.43Å; F453-L487 HydrophobicContact CZ-CB 4.44Å; L480-L487 HydrophobicContact CD1-CD1 4.3Å; L480-L487 HydrophobicContact CD2-CD1 3.69Å; L480-L487 HydrophobicContact CG-CD1 3.85Å; H484-L487 HydrophobicContact CB-CD1 3.78Å; H484-L487 HydrophobicContact CB-CG 3.99Å; H484-L487 WeakPolarHBondContact O-CB 3.23Å; H484-L487 PolarHBondContact O-N 3.3Å; T485-L487 PolarHBondContact O-N 3.31Å; L487-P489 VanDerWaalsContact C-CD 3.47Å; L487-H490 PolarHBondContact O-N 2.9Å; L487-I491 HydrophobicContact CB-CD1 4.5Å; L487-I491 PolarHBondContact O-N 3.32Å; L487-I491 VanDerWaalsContact O-N 3.12Å
488A85.4Confident86.8Confident3 Ų344.8 Ų44.83%0.02522%0.217CC..Hα-helixtrans-42.3-52.217500000114.7F481 T485 R486 H490 I491 L492 V538F481-A488 HydrophobicContact CE2-CB 3.98Å; T485-A488 WeakPolarHBondContact O-CB 3.41Å; T485-A488 PolarHBondContact O-N 2.96Å; R486-A488 VanDerWaalsContact C-N 3.26Å; R486-A488 PolarHBondContact O-N 2.96Å; A488-H490 VanDerWaalsContact C-N 3.27Å; A488-H490 PolarHBondContact O-N 3.01Å; A488-I491 PolarHBondContact O-N 2.89Å; A488-L492 WeakPolarHBondContact O-CB 3.32Å; A488-L492 VanDerWaalsContact O-CG 3.24Å; A488-L492 WeakPolarHBondContact O-CG 3.2Å; A488-L492 PolarHBondContact O-N 3.47Å; A488-V538 HydrophobicContact CB-CG2 4.17Å
489P86.8Confident86.5Confident80 Ų8047.9 Ų47.952%0.51923%0.231SC..Hα-helixtrans-62.4-32.3-178.924.7-35.5000113.3R486 L487 N493R486-P489 WeakPolarHBondContact O-CD 3.32Å; L487-P489 VanDerWaalsContact C-CD 3.47Å; P489-N493 VanDerWaalsContact O-CB 3.24Å; P489-N493 WeakPolarHBondContact O-CB 3.49Å; P489-N493 PolarHBondContact O-N 3.13Å
490H87.6Confident86.3Confident54 Ų5449 Ų4925%0.2524%0.236CC..Hα-helixtrans-74.5-37.7178.4-65.3-65.1000112.3F453 L487 A488 N493 L494F453-H490 HydrophobicContact CD1-CB 4.06Å; F453-H490 HydrophobicContact CD2-CB 3.41Å; F453-H490 VanDerWaalsContact CD2-CB 3.41Å; F453-H490 AromaticContact CD2-CG 3.97Å; F453-H490 HydrophobicContact CE1-CB 4.02Å; F453-H490 HydrophobicContact CE2-CB 3.37Å; F453-H490 HydrophobicContact CG-CB 3.79Å; F453-H490 HydrophobicContact CZ-CB 3.69Å; L487-H490 PolarHBondContact O-N 2.9Å; A488-H490 VanDerWaalsContact C-N 3.27Å; A488-H490 PolarHBondContact O-N 3.01Å; H490-N493 PolarHBondContact O-N 2.97Å; H490-L494 WeakPolarHBondContact O-CB 3.38Å; H490-L494 PolarHBondContact O-N 3.32Å
491I89.3Confident85.9Confident0 Ų057 Ų570%027%0.267CS..Hα-helixtrans-66-44174.4-65167.6000110.3F453 F481 L487 A488 L494 V495 L511 L515F453-I491 HydrophobicContact CE1-CB 4.39Å; F453-I491 HydrophobicContact CE1-CG1 3.58Å; F453-I491 HydrophobicContact CZ-CG1 3.7Å; F481-I491 HydrophobicContact CB-CD1 3.76Å; F481-I491 HydrophobicContact CD2-CD1 3.81Å; F481-I491 HydrophobicContact CG-CD1 4.18Å; L487-I491 HydrophobicContact CB-CD1 4.5Å; L487-I491 PolarHBondContact O-N 3.32Å; L487-I491 VanDerWaalsContact O-N 3.12Å; A488-I491 PolarHBondContact O-N 2.89Å; I491-L494 WeakPolarHBondContact O-CB 3.4Å; I491-L494 PolarHBondContact O-N 3.47Å; I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.48Å; I491-L511 HydrophobicContact CG2-CD2 4.27Å; I491-L515 HydrophobicContact CG2-CD1 3.9Å
492L87.8Confident85.5Confident27 Ų2758.4 Ų58.414%0.14127%0.274CS..Hα-helixtrans-65-40.3177.5-66.8173.1000111.7A488 V495 N496 K537 V538 R541A488-L492 WeakPolarHBondContact O-CB 3.32Å; A488-L492 VanDerWaalsContact O-CG 3.24Å; A488-L492 WeakPolarHBondContact O-CG 3.2Å; A488-L492 PolarHBondContact O-N 3.47Å; L492-V495 PolarHBondContact O-N 2.9Å; L492-N496 WeakPolarHBondContact O-CB 3.33Å; L492-N496 VanDerWaalsContact O-CG 3.25Å; L492-N496 PolarHBondContact O-N 3.32Å; L492-N496 PolarHBondContact O-OD1 2.99Å; L492-K537 HydrophobicContact CD1-CB 4.48Å; L492-V538 HydrophobicContact CD1-CG2 4.47Å; L492-V538 HydrophobicContact CD2-CG2 4.35Å; L492-V538 HydrophobicContact CG-CG2 4.47Å; L492-R541 HydrophobicContact CD2-CB 3.71Å; L492-R541 HydrophobicContact CD2-CG 3.76Å
493N89Confident85.2Confident90 Ų9059.4 Ų59.448%0.48129%0.285SS..Hα-helixtrans-62.1-43.4173.5-170.85.3000111.5P489 H490 V495 N496 Q497P489-N493 VanDerWaalsContact O-CB 3.24Å; P489-N493 WeakPolarHBondContact O-CB 3.49Å; P489-N493 PolarHBondContact O-N 3.13Å; H490-N493 PolarHBondContact O-N 2.97Å; N493-V495 VanDerWaalsContact C-N 3.34Å; N493-V495 PolarHBondContact O-N 3.27Å; N493-N496 PolarHBondContact O-N 3.23Å; N493-Q497 WeakPolarHBondContact O-CB 3.34Å; N493-Q497 WeakPolarHBondContact O-CG 3.34Å; N493-Q497 PolarHBondContact O-N 3.37Å; N493-Q497 VanDerWaalsContact OD1-CG 3.27Å; N493-Q497 WeakPolarHBondContact OD1-CG 3.5Å
494L89.9Confident84.8Confident7 Ų764.2 Ų64.24%0.03731%0.307CS..Hα-helixtrans-57.6-47.3174.7179.665000111.3F453 A456 F457 L460 L477 H490 I491 T498 W507F453-L494 HydrophobicContact CD1-CB 4.3Å; F453-L494 HydrophobicContact CD1-CD2 4.17Å; A456-L494 HydrophobicContact CB-CD2 4.28Å; F457-L494 HydrophobicContact CB-CD1 3.57Å; F457-L494 HydrophobicContact CD2-CD1 4.06Å; F457-L494 HydrophobicContact CG-CD1 4.32Å; L460-L494 HydrophobicContact CD1-CD1 4.39Å; L477-L494 HydrophobicContact CD1-CD2 4.04Å; H490-L494 WeakPolarHBondContact O-CB 3.38Å; H490-L494 PolarHBondContact O-N 3.32Å; I491-L494 WeakPolarHBondContact O-CB 3.4Å; I491-L494 PolarHBondContact O-N 3.47Å; L494-T498 HydrophobicContact CD1-CG2 4.33Å; L494-T498 WeakPolarHBondContact O-CB 3.28Å; L494-T498 VanDerWaalsContact O-CG2 3.31Å; L494-T498 WeakPolarHBondContact O-CG2 3.32Å; L494-T498 PolarHBondContact O-N 3.11Å; L494-T498 PolarHBondContact O-OG1 3.43Å; L494-W507 HydrophobicContact CD2-CH2 3.86Å; L494-W507 HydrophobicContact CD2-CZ3 4.44Å; L494-W507 HydrophobicContact CG-CH2 4.33Å; L494-W507 HydrophobicContact CG-CZ3 4.43Å
495V87.1Confident84.6Confident0 Ų061.8 Ų61.80%030%0.298CS..Hα-helixtrans-58.6-51.9176.9164.60000111.4I491 L492 N493 Q497 T498 Q499 F508 L511 L512I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.48Å; L492-V495 PolarHBondContact O-N 2.9Å; N493-V495 VanDerWaalsContact C-N 3.34Å; N493-V495 PolarHBondContact O-N 3.27Å; V495-Q497 PolarHBondContact O-N 3.04Å; V495-T498 WeakPolarHBondContact CA-OG1 3.45Å; V495-T498 PolarHBondContact O-N 2.93Å; V495-T498 PolarHBondContact O-OG1 3.22Å; V495-Q499 PolarHBondContact O-N 3.4Å; V495-F508 HydrophobicContact CG1-CB 4.24Å; V495-L511 HydrophobicContact CG2-CD2 3.86Å; V495-L512 HydrophobicContact CG1-CD1 4.04Å; V495-L512 HydrophobicContact CG1-CD2 4.37Å; V495-L512 HydrophobicContact CG1-CG 4.3Å; V495-L512 HydrophobicContact CG2-CD2 4.44Å
496N86.8Confident84.7Confident45 Ų4568.6 Ų68.624%0.24133%0.326CS..Hα-helixtrans-62.9-45.1-177.5-68.2-7.2000111.5L492 N493 T498 Q499 E500 R541L492-N496 WeakPolarHBondContact O-CB 3.33Å; L492-N496 VanDerWaalsContact O-CG 3.25Å; L492-N496 PolarHBondContact O-N 3.32Å; L492-N496 PolarHBondContact O-OD1 2.99Å; N493-N496 PolarHBondContact O-N 3.23Å; N496-T498 VanDerWaalsContact C-N 3.35Å; N496-T498 PolarHBondContact O-N 3.27Å; N496-Q499 PolarHBondContact O-N 3.27Å; N496-E500 WeakPolarHBondContact O-CG 3.21Å; N496-E500 PolarHBondContact O-N 2.97Å; N496-R541 PolarHBondContact OD1-NE 2.59Å
497Q84.6Confident85Confident64 Ų6460.3 Ų60.330%0.29930%0.295SS..Hα-helixtrans-66.4-35.6178.1-69.4-61.7-58.400112.4F457 N493 V495 Q499 E500 R501F457-Q497 HydrophobicContact CD2-CB 4.19Å; F457-Q497 HydrophobicContact CE2-CB 3.86Å; N493-Q497 WeakPolarHBondContact O-CB 3.34Å; N493-Q497 WeakPolarHBondContact O-CG 3.34Å; N493-Q497 PolarHBondContact O-N 3.37Å; N493-Q497 VanDerWaalsContact OD1-CG 3.27Å; N493-Q497 WeakPolarHBondContact OD1-CG 3.5Å; V495-Q497 PolarHBondContact O-N 3.04Å; Q497-Q499 VanDerWaalsContact C-N 3.35Å; Q497-E500 PolarHBondContact NE2-OE2 2.92Å; Q497-R501 WeakPolarHBondContact O-CB 3.38Å; Q497-R501 PolarHBondContact O-N 2.87Å; Q497-R501 VanDerWaalsContact O-N 3.09Å
498T85.5Confident85.1Confident2 Ų260.1 Ų60.11%0.01229%0.294CS..Hα-helixtrans-66.2-37.5172.952.80000112.1F457 L460 L494 V495 N496 L502 W507F457-T498 HydrophobicContact CD2-CG2 3.82Å; F457-T498 HydrophobicContact CE2-CG2 4.02Å; L460-T498 HydrophobicContact CD1-CG2 4.17Å; L494-T498 HydrophobicContact CD1-CG2 4.33Å; L494-T498 WeakPolarHBondContact O-CB 3.28Å; L494-T498 VanDerWaalsContact O-CG2 3.31Å; L494-T498 WeakPolarHBondContact O-CG2 3.32Å; L494-T498 PolarHBondContact O-N 3.11Å; L494-T498 PolarHBondContact O-OG1 3.43Å; V495-T498 WeakPolarHBondContact CA-OG1 3.45Å; V495-T498 PolarHBondContact O-N 2.93Å; V495-T498 PolarHBondContact O-OG1 3.22Å; N496-T498 VanDerWaalsContact C-N 3.35Å; N496-T498 PolarHBondContact O-N 3.27Å; T498-L502 CarbonylContact O-C 3.59Å; T498-L502 VanDerWaalsContact O-CA 3.31Å; T498-L502 WeakPolarHBondContact O-CA 3.06Å; T498-L502 VanDerWaalsContact O-CB 3.28Å; T498-L502 WeakPolarHBondContact O-CB 3.47Å; T498-L502 PolarHBondContact O-N 2.99Å; T498-W507 HydrophobicContact CG2-CZ3 4.33Å
499Q85.4Confident85.2Confident72 Ų7260.4 Ų60.434%0.33630%0.295SS..Hα-helixtrans-68.9-43177-174.5-176.5800112.4V495 N496 Q497 F508V495-Q499 PolarHBondContact O-N 3.4Å; N496-Q499 PolarHBondContact O-N 3.27Å; Q497-Q499 VanDerWaalsContact C-N 3.35Å; Q499-F508 HydrophobicContact CB-CD1 4.45Å; Q499-F508 HydrophobicContact CB-CE1 4.39Å; Q499-F508 HydrophobicContact CG-CE1 4.36Å; Q499-F508 HydrophobicContact CG-CE2 4.4Å; Q499-F508 HydrophobicContact CG-CZ 4.15Å
500E85Confident85.2Confident134 Ų13458.2 Ų58.263%0.62629%0.287SS*.Hα-helixtrans-65.4-42.4179.3-75.2175.5-177.400112.5N496 Q497N496-E500 WeakPolarHBondContact O-CG 3.21Å; N496-E500 PolarHBondContact O-N 2.97Å; Q497-E500 PolarHBondContact NE2-OE2 2.92Å
501R80.1Confident85.4Confident171 Ų17155.7 Ų55.765%0.64528%0.275SS*.Hα-helixtrans-89.5-25.6-175.7-65.6-69-167.8134.90.3113.4F457 Q497F457-R501 HydrophobicContact CZ-CB 4.26Å; F457-R501 HydrophobicContact CZ-CG 4.12Å; Q497-R501 WeakPolarHBondContact O-CB 3.38Å; Q497-R501 PolarHBondContact O-N 2.87Å; Q497-R501 VanDerWaalsContact O-N 3.09Å
502L81.3Confident85.4Confident29 Ų2955.7 Ų55.715%0.15228%0.275CS..  trans-13671.9-176.8-55.7164.8000110.9F461 T498 E504 C505F461-L502 HydrophobicContact CD2-CD1 4.25Å; F461-L502 HydrophobicContact CD2-CD2 4.19Å; F461-L502 HydrophobicContact CD2-CG 4.31Å; F461-L502 HydrophobicContact CE2-CD2 4.27Å; T498-L502 CarbonylContact O-C 3.59Å; T498-L502 VanDerWaalsContact O-CA 3.31Å; T498-L502 WeakPolarHBondContact O-CA 3.06Å; T498-L502 VanDerWaalsContact O-CB 3.28Å; T498-L502 WeakPolarHBondContact O-CB 3.47Å; T498-L502 PolarHBondContact O-N 2.99Å; L502-E504 PolarHBondContact O-N 3.48Å; L502-E504 VanDerWaalsContact O-N 3.16Å; L502-C505 HydrophobicContact CB-CB 3.89Å; L502-C505 WeakPolarHBondContact O-CB 3.38Å; L502-C505 PolarHBondContact O-N 3.01Å; L502-C505 VanDerWaalsContact O-N 3.16Å
503P76.9Confident85.6Confident98 Ų9857 Ų5764%0.63628%0.281SS*.THydrogen-bonded Turntrans-64-23.2-176.625.7-34.7000113.5
504E76.7Confident85.5Confident184 Ų18453.4 Ų53.486%0.8627%0.265SS*.THydrogen-bonded Turntrans-80.6-15.8-179.7-58.8-175.3172.500113.4L502 K506L502-E504 PolarHBondContact O-N 3.48Å; L502-E504 VanDerWaalsContact O-N 3.16Å; E504-K506 PolarHBondContact O-N 3.11Å
505C81Confident85.5Confident13 Ų1353 Ų539%0.08826%0.263CS..  trans-81.3111.7-172-178.50000112.2L502 W507 F508L502-C505 HydrophobicContact CB-CB 3.89Å; L502-C505 WeakPolarHBondContact O-CB 3.38Å; L502-C505 PolarHBondContact O-N 3.01Å; L502-C505 VanDerWaalsContact O-N 3.16Å; C505-W507 PolarHBondContact O-N 3.42Å; C505-W507 VanDerWaalsContact O-N 3.14Å; C505-W507 WeakPolarHBondContact SG-CB 3.18Å; C505-F508 WeakPolarHBondContact O-CD1 3.39Å; C505-F508 WeakPolarHBondContact O-CE1 3.47Å
506K85Confident85.7Confident153 Ų15353.6 Ų53.667%0.66527%0.265SS*.THydrogen-bonded Turntrans-75.51.4-179.9-61.7-171.9178.5-171.10115.3E504 F508 V509 G510E504-K506 PolarHBondContact O-N 3.11Å; K506-F508 VanDerWaalsContact C-N 3.35Å; K506-F508 PolarHBondContact O-N 3.43Å; K506-V509 PolarHBondContact O-N 2.77Å; K506-G510 PolarHBondContact O-N 3.13Å
507W89.1Confident85.8Confident22 Ų2257.8 Ų57.88%0.08328%0.278CS..Hα-helixtrans-60.1-42.6-177.4176.982.6000112.6L460 A470 L473 S474 L477 L494 T498 C505 V509 G510 L511L460-W507 HydrophobicContact CD1-CD2 3.97Å; L460-W507 HydrophobicContact CD1-CE3 3.75Å; L460-W507 HydrophobicContact CD1-CH2 3.39Å; L460-W507 HydrophobicContact CD1-CZ2 3.61Å; L460-W507 HydrophobicContact CD1-CZ3 3.47Å; L460-W507 VanDerWaalsContact CD1-CZ3 3.47Å; L460-W507 HydrophobicContact CD2-CD2 3.81Å; L460-W507 HydrophobicContact CD2-CE3 4.38Å; L460-W507 HydrophobicContact CD2-CG 4.05Å; L460-W507 HydrophobicContact CD2-CZ2 4.17Å; A470-W507 PolarHBondContact O-NE1 2.92Å; L473-W507 HydrophobicContact CD2-CZ2 4.19Å; L473-W507 HydrophobicContact CG-CZ2 4.37Å; S474-W507 PolarHBondContact OG-NE1 3.47Å; L477-W507 HydrophobicContact CD1-CH2 3.98Å; L477-W507 HydrophobicContact CD1-CZ2 3.96Å; L494-W507 HydrophobicContact CD2-CH2 3.86Å; L494-W507 HydrophobicContact CD2-CZ3 4.44Å; L494-W507 HydrophobicContact CG-CH2 4.33Å; L494-W507 HydrophobicContact CG-CZ3 4.43Å; T498-W507 HydrophobicContact CG2-CZ3 4.33Å; C505-W507 PolarHBondContact O-N 3.42Å; C505-W507 VanDerWaalsContact O-N 3.14Å; C505-W507 WeakPolarHBondContact SG-CB 3.18Å; W507-V509 VanDerWaalsContact C-N 3.3Å; W507-V509 PolarHBondContact O-N 3.46Å; W507-G510 WeakPolarHBondContact O-CA 3.29Å; W507-G510 PolarHBondContact O-N 2.95Å; W507-L511 HydrophobicContact CH2-CB 4.44Å; W507-L511 HydrophobicContact CH2-CD2 3.45Å; W507-L511 VanDerWaalsContact CH2-CD2 3.45Å; W507-L511 HydrophobicContact CH2-CG 4.49Å; W507-L511 HydrophobicContact CZ2-CB 4.46Å; W507-L511 HydrophobicContact CZ2-CD2 4.02Å; W507-L511 HydrophobicContact CZ3-CD2 3.91Å; W507-L511 PolarHBondContact O-N 3.23Å
508F86.4Confident85.9Confident15 Ų1556.5 Ų56.57%0.06627%0.274CS..Hα-helixtrans-63.3-37.3-178.265.2-98.6000111.9V495 Q499 C505 K506 L511 L512V495-F508 HydrophobicContact CG1-CB 4.24Å; Q499-F508 HydrophobicContact CB-CD1 4.45Å; Q499-F508 HydrophobicContact CB-CE1 4.39Å; Q499-F508 HydrophobicContact CG-CE1 4.36Å; Q499-F508 HydrophobicContact CG-CE2 4.4Å; Q499-F508 HydrophobicContact CG-CZ 4.15Å; C505-F508 WeakPolarHBondContact O-CD1 3.39Å; C505-F508 WeakPolarHBondContact O-CE1 3.47Å; K506-F508 VanDerWaalsContact C-N 3.35Å; K506-F508 PolarHBondContact O-N 3.43Å; F508-L511 PolarHBondContact O-N 3.33Å; F508-L512 WeakPolarHBondContact O-CB 3.3Å; F508-L512 VanDerWaalsContact O-CG 3.29Å; F508-L512 WeakPolarHBondContact O-CG 3.33Å; F508-L512 PolarHBondContact O-N 2.78Å
509V87.9Confident86Confident8 Ų856.4 Ų56.45%0.04827%0.274CS..Hα-helixtrans-62.2-44.6172.8-176.40000110.2K506 W507 L511 L512 Q513 E547 I548K506-V509 PolarHBondContact O-N 2.77Å; W507-V509 VanDerWaalsContact C-N 3.3Å; W507-V509 PolarHBondContact O-N 3.46Å; V509-L511 PolarHBondContact O-N 2.82Å; V509-L512 PolarHBondContact O-N 3.34Å; V509-Q513 HydrophobicContact CG1-CG 4.49Å; V509-Q513 WeakPolarHBondContact O-CB 3.44Å; V509-Q513 VanDerWaalsContact O-CG 3.3Å; V509-Q513 WeakPolarHBondContact O-CG 3.2Å; V509-Q513 PolarHBondContact O-N 3.49Å; V509-E547 HydrophobicContact CG1-CB 4.21Å; V509-I548 HydrophobicContact CG1-CD1 4.21Å; V509-I548 HydrophobicContact CG1-CG1 4Å
510G87.4Confident85.9Confident35 Ų3554.6 Ų54.636%0.36127%0.268SS..Hα-helixtrans-59-44.9176.100000113.2K506 W507 Q513 G514K506-G510 PolarHBondContact O-N 3.13Å; W507-G510 WeakPolarHBondContact O-CA 3.29Å; W507-G510 PolarHBondContact O-N 2.95Å; G510-Q513 PolarHBondContact O-N 3.04Å; G510-G514 PolarHBondContact O-N 3.45Å
511L90.6Very high85.8Confident0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-64-46.8175.8176.263.2000111.7L477 I491 V495 W507 F508 V509 Q513 G514 L515L477-L511 HydrophobicContact CB-CD1 3.95Å; L477-L511 HydrophobicContact CD1-CD1 4.33Å; L477-L511 HydrophobicContact CD1-CD2 4.06Å; I491-L511 HydrophobicContact CG2-CD2 4.27Å; V495-L511 HydrophobicContact CG2-CD2 3.86Å; W507-L511 HydrophobicContact CH2-CB 4.44Å; W507-L511 HydrophobicContact CH2-CD2 3.45Å; W507-L511 VanDerWaalsContact CH2-CD2 3.45Å; W507-L511 HydrophobicContact CH2-CG 4.49Å; W507-L511 HydrophobicContact CZ2-CB 4.46Å; W507-L511 HydrophobicContact CZ2-CD2 4.02Å; W507-L511 HydrophobicContact CZ3-CD2 3.91Å; W507-L511 PolarHBondContact O-N 3.23Å; F508-L511 PolarHBondContact O-N 3.33Å; V509-L511 PolarHBondContact O-N 2.82Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.34Å; L511-G514 WeakPolarHBondContact O-CA 3.43Å; L511-G514 PolarHBondContact O-N 3.38Å; L511-G514 VanDerWaalsContact O-N 3.08Å; L511-L515 HydrophobicContact CD1-CD1 4.31Å; L511-L515 HydrophobicContact CD1-CG 4.25Å; L511-L515 HydrophobicContact CG-CD1 4.09Å; L511-L515 HydrophobicContact CG-CG 4.46Å; L511-L515 WeakPolarHBondContact O-CG 3.43Å; L511-L515 PolarHBondContact O-N 3.28Å
512L90.7Very high85.7Confident0 Ų050.9 Ų50.90%025%0.25CS..Hα-helixtrans-61.2-40.8178.3-73.6173.9000111.9V495 F508 V509 L515 Q516 R541 V542 E545 I548V495-L512 HydrophobicContact CG1-CD1 4.04Å; V495-L512 HydrophobicContact CG1-CD2 4.37Å; V495-L512 HydrophobicContact CG1-CG 4.3Å; V495-L512 HydrophobicContact CG2-CD2 4.44Å; F508-L512 WeakPolarHBondContact O-CB 3.3Å; F508-L512 VanDerWaalsContact O-CG 3.29Å; F508-L512 WeakPolarHBondContact O-CG 3.33Å; F508-L512 PolarHBondContact O-N 2.78Å; V509-L512 PolarHBondContact O-N 3.34Å; L512-L515 PolarHBondContact O-N 2.92Å; L512-Q516 WeakPolarHBondContact O-CB 3.47Å; L512-Q516 PolarHBondContact O-N 3.25Å; L512-R541 HydrophobicContact CD2-CG 4.34Å; L512-V542 HydrophobicContact CB-CG2 4.04Å; L512-V542 HydrophobicContact CD2-CG2 3.77Å; L512-V542 HydrophobicContact CG-CG2 4.46Å; L512-E545 HydrophobicContact CD1-CG 3.52Å; L512-I548 HydrophobicContact CB-CD1 3.6Å
513Q90.6Very high85.2Confident55 Ų5552.9 Ų52.926%0.25727%0.265SS..Hα-helixtrans-63-41171.6-72.1-178.49.800112.1V509 G510 L511 Q516 R517 I548V509-Q513 HydrophobicContact CG1-CG 4.49Å; V509-Q513 WeakPolarHBondContact O-CB 3.44Å; V509-Q513 VanDerWaalsContact O-CG 3.3Å; V509-Q513 WeakPolarHBondContact O-CG 3.2Å; V509-Q513 PolarHBondContact O-N 3.49Å; G510-Q513 PolarHBondContact O-N 3.04Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.34Å; Q513-Q516 PolarHBondContact O-N 3.5Å; Q513-R517 VanDerWaalsContact O-CG 3.29Å; Q513-R517 WeakPolarHBondContact O-CG 3.38Å; Q513-R517 PolarHBondContact O-N 2.83Å; Q513-I548 HydrophobicContact CG-CB 4.45Å; Q513-I548 HydrophobicContact CG-CD1 3.82Å; Q513-I548 HydrophobicContact CG-CG1 3.73Å; Q513-I548 HydrophobicContact CG-CG2 4.07Å
514G88Confident84.5Confident14 Ų1452.6 Ų52.614%0.14425%0.254CS..Hα-helixtrans-58.7-49.9174.400000111.9G510 L511 Q516 R517 V518G510-G514 PolarHBondContact O-N 3.45Å; L511-G514 WeakPolarHBondContact O-CA 3.43Å; L511-G514 PolarHBondContact O-N 3.38Å; L511-G514 VanDerWaalsContact O-N 3.08Å; G514-Q516 PolarHBondContact O-N 3.36Å; G514-R517 PolarHBondContact O-N 2.88Å; G514-V518 WeakPolarHBondContact O-CB 3.5Å; G514-V518 WeakPolarHBondContact O-CG2 3.32Å; G514-V518 PolarHBondContact O-N 2.66Å
515L89.8Confident83.7Confident0 Ų047.9 Ų47.90%026%0.255CS..Hα-helixtrans-59.9-44.9176.8-69.7169.6000111.2C478 F481 I491 L511 L512 R517 V518 I519 V538C478-L515 HydrophobicContact CB-CD2 4.47Å; C478-L515 PolarHBondContact SG-N 3.41Å; F481-L515 HydrophobicContact CB-CD2 3.9Å; F481-L515 HydrophobicContact CD1-CD2 3.82Å; F481-L515 HydrophobicContact CG-CD2 3.86Å; I491-L515 HydrophobicContact CG2-CD1 3.9Å; L511-L515 HydrophobicContact CD1-CD1 4.31Å; L511-L515 HydrophobicContact CD1-CG 4.25Å; L511-L515 HydrophobicContact CG-CD1 4.09Å; L511-L515 HydrophobicContact CG-CG 4.46Å; L511-L515 WeakPolarHBondContact O-CG 3.43Å; L511-L515 PolarHBondContact O-N 3.28Å; L512-L515 PolarHBondContact O-N 2.92Å; L515-R517 PolarHBondContact O-N 3.41Å; L515-V518 PolarHBondContact O-N 3.11Å; L515-I519 WeakPolarHBondContact O-CB 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.4Å; L515-I519 PolarHBondContact O-N 3.17Å; L515-V538 HydrophobicContact CB-CG1 4.01Å; L515-V538 HydrophobicContact CD1-CG1 3.96Å
516Q91.6Very high82.8Confident11 Ų1154.2 Ų54.25%0.05128%0.284CS..Hα-helixtrans-57.7-46.9176.2-167.3-163.13100112.2L512 Q513 G514 V518 T520 L539 V542 C549 S552 S553L512-Q516 WeakPolarHBondContact O-CB 3.47Å; L512-Q516 PolarHBondContact O-N 3.25Å; Q513-Q516 PolarHBondContact O-N 3.5Å; G514-Q516 PolarHBondContact O-N 3.36Å; Q516-V518 VanDerWaalsContact C-N 3.27Å; Q516-V518 PolarHBondContact O-N 3.39Å; Q516-T520 WeakPolarHBondContact O-CB 3.48Å; Q516-T520 WeakPolarHBondContact O-CG2 3.33Å; Q516-T520 PolarHBondContact O-N 2.9Å; Q516-T520 PolarHBondContact O-OG1 2.89Å; Q516-L539 HydrophobicContact CG-CD2 4.19Å; Q516-V542 HydrophobicContact CB-CG1 4.09Å; Q516-V542 HydrophobicContact CG-CG1 4.11Å; Q516-C549 PolarHBondContact NE2-O 3.13Å; Q516-S552 VanDerWaalsContact CD-OG 3.31Å; Q516-S552 PolarHBondContact NE2-OG 3.19Å; Q516-S552 VanDerWaalsContact NE2-OG 3.14Å; Q516-S553 PolarHBondContact NE2-OG 3.07Å
517R88.9Confident82Confident134 Ų13449 Ų4951%0.50626%0.263SS..Hα-helixtrans-62.3-37.9178.1-69.9172.4-154.9158.77.4111.8Q513 G514 L515 T520 R521Q513-R517 VanDerWaalsContact O-CG 3.29Å; Q513-R517 WeakPolarHBondContact O-CG 3.38Å; Q513-R517 PolarHBondContact O-N 2.83Å; G514-R517 PolarHBondContact O-N 2.88Å; L515-R517 PolarHBondContact O-N 3.41Å; R517-T520 PolarHBondContact O-OG1 2.94Å; R517-R521 WeakPolarHBondContact O-CB 3.4Å; R517-R521 WeakPolarHBondContact O-CD 3.37Å; R517-R521 WeakPolarHBondContact O-CG 3.45Å; R517-R521 PolarHBondContact O-N 3.46Å
518V86.6Confident81.1Confident37 Ų3756.9 Ų56.922%0.22429%0.292CS..Hα-helixtrans-73.7-44.8-177163.20000111.3C478 L482 G514 L515 Q516 R521 V522C478-V518 HydrophobicContact CB-CG2 4.09Å; L482-V518 HydrophobicContact CD1-CG1 3.36Å; L482-V518 HydrophobicContact CD2-CG1 3.35Å; L482-V518 HydrophobicContact CG-CG1 3.18Å; G514-V518 WeakPolarHBondContact O-CB 3.5Å; G514-V518 WeakPolarHBondContact O-CG2 3.32Å; G514-V518 PolarHBondContact O-N 2.66Å; L515-V518 PolarHBondContact O-N 3.11Å; Q516-V518 VanDerWaalsContact C-N 3.27Å; Q516-V518 PolarHBondContact O-N 3.39Å; V518-R521 PolarHBondContact O-N 3.45Å; V518-V522 WeakPolarHBondContact O-CG2 3.4Å
519I86.1Confident80.3Confident0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-61.9-46.2176.7-65.9173000111.4F481 L515 R521 V522 H535 V538 L539 F556F481-I519 HydrophobicContact CE1-CD1 3.74Å; F481-I519 HydrophobicContact CE1-CG1 3.7Å; F481-I519 HydrophobicContact CZ-CD1 4.13Å; F481-I519 HydrophobicContact CZ-CG1 4.49Å; L515-I519 WeakPolarHBondContact O-CB 3.27Å; L515-I519 WeakPolarHBondContact O-CG1 3.4Å; L515-I519 PolarHBondContact O-N 3.17Å; I519-R521 PolarHBondContact O-N 2.95Å; I519-V522 PolarHBondContact O-N 2.97Å; I519-H535 HydrophobicContact CG2-CB 4.09Å; I519-V538 HydrophobicContact CD1-CB 4.03Å; I519-V538 HydrophobicContact CD1-CG1 3.81Å; I519-L539 HydrophobicContact CD1-CD2 4.29Å; I519-L539 HydrophobicContact CD1-CG 4.26Å; I519-L539 HydrophobicContact CG2-CD1 3.99Å; I519-L539 HydrophobicContact CG2-CD2 4.37Å; I519-L539 HydrophobicContact CG2-CG 4.24Å; I519-F556 HydrophobicContact CG2-CD1 4.26Å; I519-F556 HydrophobicContact CG2-CE1 3.75Å; I519-F556 HydrophobicContact CG2-CZ 3.93Å
520T84.8Confident79.4Confident34 Ų3467.2 Ų67.221%0.20934%0.343CS..Hα-helixtrans-70.8-14.6-17654.90000113.6Q516 R517 S552 F556Q516-T520 WeakPolarHBondContact O-CB 3.48Å; Q516-T520 WeakPolarHBondContact O-CG2 3.33Å; Q516-T520 PolarHBondContact O-N 2.9Å; Q516-T520 PolarHBondContact O-OG1 2.89Å; R517-T520 PolarHBondContact O-OG1 2.94Å; T520-S552 WeakPolarHBondContact CG2-O 3.37Å; T520-F556 HydrophobicContact CG2-CB 3.92Å; T520-F556 HydrophobicContact CG2-CG 4.45Å
521R83.4Confident79Confident204 Ų20467.2 Ų67.277%0.7734%0.335SS*.THydrogen-bonded Turntrans-98-4177.9-73.2177.7178.4-176.40.2114.1R517 V518 I519R517-R521 WeakPolarHBondContact O-CB 3.4Å; R517-R521 WeakPolarHBondContact O-CD 3.37Å; R517-R521 WeakPolarHBondContact O-CG 3.45Å; R517-R521 PolarHBondContact O-N 3.46Å; V518-R521 PolarHBondContact O-N 3.45Å; I519-R521 PolarHBondContact O-N 2.95Å
522V76.4Confident78.5Confident22 Ų2267.6 Ų67.613%0.13334%0.337CS..SBendtrans-66.2126.5-179.6-178.50000110.2L482 V518 I519 L527L482-V522 HydrophobicContact CD2-CG2 3.58Å; V518-V522 WeakPolarHBondContact O-CG2 3.4Å; I519-V522 PolarHBondContact O-N 2.97Å; V522-L527 HydrophobicContact CB-CD2 4.19Å; V522-L527 HydrophobicContact CG1-CD2 3.67Å; V522-L527 HydrophobicContact CG1-CG 4Å
523P71.2Confident78.1Confident72 Ų7270 Ų7047%0.46835%0.354SS..  trans-68.3133.9178.426.8-33.1000111.5G525 Q526P523-G525 PolarHBondContact O-N 3.34Å; P523-Q526 HydrophobicContact CG-CG 4.39Å; P523-Q526 PolarHBondContact O-N 2.91Å
524F61.5Low77.8Confident91 Ų9168.2 Ų68.240%0.39935%0.347SS..G310 helixtrans-56.3-28.8-172.5-62.4-77.9000115.3Q526 L527 F556 T559F524-Q526 PolarHBondContact O-N 3.43Å; F524-L527 HydrophobicContact CD1-CD1 3.88Å; F524-L527 HydrophobicContact CE1-CD1 4.43Å; F524-L527 PolarHBondContact O-N 2.91Å; F524-F556 HydrophobicContact CE1-CD2 4.45Å; F524-F556 HydrophobicContact CE1-CE2 4.49Å; F524-T559 HydrophobicContact CD1-CG2 4.26Å; F524-T559 HydrophobicContact CD2-CG2 4.31Å; F524-T559 HydrophobicContact CE1-CG2 3.46Å; F524-T559 VanDerWaalsContact CE1-CG2 3.46Å; F524-T559 HydrophobicContact CE2-CG2 3.52Å; F524-T559 VanDerWaalsContact CZ-CB 3.46Å; F524-T559 HydrophobicContact CZ-CG2 3.06Å
525G60.1Low77.7Confident86 Ų8667.9 Ų67.989%0.88734%0.342SS*.G310 helixtrans-69.4-9.6178.500000115.3P523P523-G525 PolarHBondContact O-N 3.34Å
526Q62.6Low77.5Confident146 Ų14667.9 Ų67.968%0.68234%0.342SS*.G310 helixtrans-111.2-4.1-178.6-65.7177.2-3.500113.4P523 F524 R528P523-Q526 HydrophobicContact CG-CG 4.39Å; P523-Q526 PolarHBondContact O-N 2.91Å; F524-Q526 PolarHBondContact O-N 3.43Å; Q526-R528 PolarHBondContact O-N 3.43Å
527L68.9Low77.1Confident44 Ų4471.7 Ų71.723%0.2336%0.358CS..  trans-77.5113.8-178.8-71.7168.4000111V522 F524 F556V522-L527 HydrophobicContact CB-CD2 4.19Å; V522-L527 HydrophobicContact CG1-CD2 3.67Å; V522-L527 HydrophobicContact CG1-CG 4Å; F524-L527 HydrophobicContact CD1-CD1 3.88Å; F524-L527 HydrophobicContact CE1-CD1 4.43Å; F524-L527 PolarHBondContact O-N 2.91Å; L527-F556 HydrophobicContact CD1-CE2 4.11Å; L527-F556 HydrophobicContact CD1-CZ 4.36Å
528R70.2Confident77.1Confident186 Ų18665.3 Ų65.370%0.70233%0.334SS*.  trans-85.8150.5168.9-53.6177.8173.3171.8-0.4110.3Q526 Q530 D531 L532Q526-R528 PolarHBondContact O-N 3.43Å; R528-Q530 VanDerWaalsContact C-N 3.28Å; R528-Q530 PolarHBondContact O-N 3.37Å; R528-D531 HydrophobicContact CB-CB 4.41Å; R528-D531 VanDerWaalsContact CB-OD2 3.29Å; R528-D531 WeakPolarHBondContact CB-OD2 3.38Å; R528-D531 WeakPolarHBondContact O-CB 3.31Å; R528-D531 PolarHBondContact O-N 3.3Å; R528-D531 VanDerWaalsContact O-N 3.14Å; R528-L532 PolarHBondContact O-N 3.31Å; R528-L532 VanDerWaalsContact O-N 3.12Å
529L69.2Low77.1Confident101 Ų10163.5 Ų63.553%0.52932%0.323SS..Hα-helixtrans-57.7-37.6178.4-68.3171.2000113.2L532 L568 L576L529-L532 PolarHBondContact O-N 3.17Å; L529-L568 HydrophobicContact CD2-CD1 4.49Å; L529-L568 HydrophobicContact CD2-CD2 3.21Å; L529-L568 HydrophobicContact CD2-CG 3.86Å; L529-L576 HydrophobicContact CD2-CD1 4.45Å
530Q69.4Low77Confident140 Ų14064.4 Ų64.465%0.65433%0.33SS*.Hα-helixtrans-68.1-39.3178.3-66.5-179.32.100111.8R528 L532 S533R528-Q530 VanDerWaalsContact C-N 3.28Å; R528-Q530 PolarHBondContact O-N 3.37Å; Q530-L532 VanDerWaalsContact C-N 3.3Å; Q530-L532 PolarHBondContact O-N 2.65Å; Q530-S533 PolarHBondContact O-N 3.3Å; Q530-S533 PolarHBondContact O-OG 3.06Å
531D77.5Confident77.1Confident34 Ų3463.7 Ų63.718%0.18232%0.324CS..Hα-helixtrans-66.4-36.4179.3-64.6-28.2000111.1T485 R528 S533 S534 H535T485-D531 HydrophobicContact CG2-CB 3.85Å; T485-D531 PolarHBondContact OG1-OD1 2.95Å; R528-D531 HydrophobicContact CB-CB 4.41Å; R528-D531 VanDerWaalsContact CB-OD2 3.29Å; R528-D531 WeakPolarHBondContact CB-OD2 3.38Å; R528-D531 WeakPolarHBondContact O-CB 3.31Å; R528-D531 PolarHBondContact O-N 3.3Å; R528-D531 VanDerWaalsContact O-N 3.14Å; D531-S533 VanDerWaalsContact C-N 3.27Å; D531-S533 PolarHBondContact O-N 2.87Å; D531-S534 WeakPolarHBondContact O-CB 3.39Å; D531-S534 PolarHBondContact O-N 3.46Å; D531-S534 VanDerWaalsContact O-N 3.15Å; D531-H535 VanDerWaalsContact C-ND1 3.28Å; D531-H535 PolarHBondContact O-N 3.03Å; D531-H535 PolarHBondContact O-ND1 2.98Å
532L81.7Confident77.2Confident9 Ų954 Ų545%0.04729%0.287CS..Hα-helixtrans-58.8-37.1177.8-176.355.8000112.4R528 L529 Q530 S534 H535 L536 F556 I560 L568 L576R528-L532 PolarHBondContact O-N 3.31Å; R528-L532 VanDerWaalsContact O-N 3.12Å; L529-L532 PolarHBondContact O-N 3.17Å; Q530-L532 VanDerWaalsContact C-N 3.3Å; Q530-L532 PolarHBondContact O-N 2.65Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 2.78Å; L532-H535 PolarHBondContact O-N 3.25Å; L532-L536 HydrophobicContact CD1-CD1 4.3Å; L532-L536 HydrophobicContact CD1-CD2 4.44Å; L532-L536 HydrophobicContact CD1-CG 4.07Å; L532-L536 HydrophobicContact CG-CD1 4.07Å; L532-L536 HydrophobicContact CG-CG 4.33Å; L532-L536 VanDerWaalsContact O-CG 3.23Å; L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 2.83Å; L532-F556 HydrophobicContact CD1-CE1 4.45Å; L532-I560 HydrophobicContact CD1-CD1 3.64Å; L532-I560 HydrophobicContact CD2-CG2 4.01Å; L532-L568 HydrophobicContact CD2-CD1 3.89Å; L532-L576 HydrophobicContact CB-CD1 4.49Å; L532-L576 HydrophobicContact CD2-CD1 3.85Å; L532-L576 HydrophobicContact CD2-CD2 4.25Å; L532-L576 HydrophobicContact CD2-CG 4.31Å; L532-L576 HydrophobicContact CG-CD1 4.26Å
533S81.9Confident77.6Confident50 Ų5053 Ų5335%0.3528%0.282SS..Hα-helixtrans-61.1-41.7176.271.70000112.7Q530 D531 K537Q530-S533 PolarHBondContact O-N 3.3Å; Q530-S533 PolarHBondContact O-OG 3.06Å; D531-S533 VanDerWaalsContact C-N 3.27Å; D531-S533 PolarHBondContact O-N 2.87Å; S533-K537 WeakPolarHBondContact O-CG 3.12Å; S533-K537 PolarHBondContact O-N 3.23Å
534S83.1Confident78.2Confident17 Ų1755 Ų5512%0.11929%0.285CS..Hα-helixtrans-67.4-42174.9-67.20000112.3T485 D531 L532 L536 K537 V538T485-S534 WeakPolarHBondContact O-CB 3.27Å; T485-S534 PolarHBondContact O-OG 3.42Å; D531-S534 WeakPolarHBondContact O-CB 3.39Å; D531-S534 PolarHBondContact O-N 3.46Å; D531-S534 VanDerWaalsContact O-N 3.15Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 2.78Å; S534-L536 VanDerWaalsContact C-N 3.33Å; S534-L536 PolarHBondContact O-N 3.33Å; S534-K537 PolarHBondContact O-N 3.43Å; S534-V538 WeakPolarHBondContact O-CG2 3.46Å; S534-V538 PolarHBondContact O-N 3.01Å; S534-V538 VanDerWaalsContact O-N 3.08Å
535H85.9Confident79.3Confident7 Ų751.8 Ų51.83%0.03227%0.271CS..Hα-helixtrans-59.5-43.3176-67.3123.1000112F481 I519 D531 L532 V538 L539F481-H535 AromaticContact CE1-CD2 3.44Å; F481-H535 VanDerWaalsContact CE1-CD2 3.44Å; F481-H535 WeakPolarHBondContact CE1-CD2 3.48Å; F481-H535 AromaticContact CE1-NE2 3.72Å; F481-H535 AromaticContact CZ-CD2 3.52Å; F481-H535 AromaticContact CZ-NE2 3.99Å; I519-H535 HydrophobicContact CG2-CB 4.09Å; D531-H535 VanDerWaalsContact C-ND1 3.28Å; D531-H535 PolarHBondContact O-N 3.03Å; D531-H535 PolarHBondContact O-ND1 2.98Å; L532-H535 PolarHBondContact O-N 3.25Å; H535-V538 PolarHBondContact O-N 3.35Å; H535-L539 WeakPolarHBondContact O-CB 3.24Å; H535-L539 VanDerWaalsContact O-CG 3.31Å; H535-L539 WeakPolarHBondContact O-CG 2.89Å; H535-L539 PolarHBondContact O-N 3.01Å
536L85.8Confident80.3Confident0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-65.4-39.6178.3-68.1171.8000112L532 S534 L539 A540 L557 L576 L580 V583L532-L536 HydrophobicContact CD1-CD1 4.3Å; L532-L536 HydrophobicContact CD1-CD2 4.44Å; L532-L536 HydrophobicContact CD1-CG 4.07Å; L532-L536 HydrophobicContact CG-CD1 4.07Å; L532-L536 HydrophobicContact CG-CG 4.33Å; L532-L536 VanDerWaalsContact O-CG 3.23Å; L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 2.83Å; S534-L536 VanDerWaalsContact C-N 3.33Å; S534-L536 PolarHBondContact O-N 3.33Å; L536-L539 PolarHBondContact O-N 3.4Å; L536-A540 WeakPolarHBondContact O-CB 2.89Å; L536-A540 PolarHBondContact O-N 2.99Å; L536-L557 HydrophobicContact CD2-CD2 3.54Å; L536-L576 HydrophobicContact CD1-CG 4.3Å; L536-L580 HydrophobicContact CD1-CD2 4.01Å; L536-L580 HydrophobicContact CD1-CG 3.97Å; L536-L580 HydrophobicContact CD2-CD2 3.66Å; L536-L580 HydrophobicContact CD2-CG 4.41Å; L536-V583 HydrophobicContact CB-CG2 4.41Å; L536-V583 HydrophobicContact CD2-CG2 4.16Å; L536-V583 VanDerWaalsContact O-CG2 3.27Å; L536-V583 WeakPolarHBondContact O-CG2 3.33Å
537K84.8Confident81.2Confident91 Ų9153.1 Ų53.140%0.39625%0.254SS..Hα-helixtrans-62.2-42.9175.1-71.5-179.4-177.2-157.10112.4L492 S533 S534 A540 R541 E661L492-K537 HydrophobicContact CD1-CB 4.48Å; S533-K537 WeakPolarHBondContact O-CG 3.12Å; S533-K537 PolarHBondContact O-N 3.23Å; S534-K537 PolarHBondContact O-N 3.43Å; K537-A540 PolarHBondContact O-N 3.21Å; K537-R541 PolarHBondContact O-N 2.93Å; K537-E661 WeakPolarHBondContact CE-OE1 3.33Å; K537-E661 WeakPolarHBondContact CE-OE2 3.06Å; K537-E661 IonicContact NZ-OE1 2.89Å; K537-E661 PolarHBondContact NZ-OE1 3.34Å; K537-E661 IonicContact NZ-OE2 2.7Å
538V87Confident81.9Confident0 Ų051.1 Ų51.10%024%0.244CC..Hα-helixtrans-64.7-45.7174.8175.80000110.9F481 A488 L492 L515 I519 S534 H535 A540 R541 V542F481-V538 HydrophobicContact CE2-CG2 3.76Å; F481-V538 HydrophobicContact CZ-CB 4.43Å; F481-V538 HydrophobicContact CZ-CG2 3.84Å; A488-V538 HydrophobicContact CB-CG2 4.17Å; L492-V538 HydrophobicContact CD1-CG2 4.47Å; L492-V538 HydrophobicContact CD2-CG2 4.35Å; L492-V538 HydrophobicContact CG-CG2 4.47Å; L515-V538 HydrophobicContact CB-CG1 4.01Å; L515-V538 HydrophobicContact CD1-CG1 3.96Å; I519-V538 HydrophobicContact CD1-CB 4.03Å; I519-V538 HydrophobicContact CD1-CG1 3.81Å; S534-V538 WeakPolarHBondContact O-CG2 3.46Å; S534-V538 PolarHBondContact O-N 3.01Å; S534-V538 VanDerWaalsContact O-N 3.08Å; H535-V538 PolarHBondContact O-N 3.35Å; V538-A540 VanDerWaalsContact C-N 3.28Å; V538-A540 PolarHBondContact O-N 3.35Å; V538-R541 PolarHBondContact O-N 3.48Å; V538-V542 HydrophobicContact CG1-CG2 4.26Å; V538-V542 WeakPolarHBondContact O-CG2 3.41Å; V538-V542 PolarHBondContact O-N 2.93Å
539L87.2Confident82.6Confident0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-64-31.3177.8-71.1177.3000113.1Q516 I519 H535 L536 V542 A543 F556 V583Q516-L539 HydrophobicContact CG-CD2 4.19Å; I519-L539 HydrophobicContact CD1-CD2 4.29Å; I519-L539 HydrophobicContact CD1-CG 4.26Å; I519-L539 HydrophobicContact CG2-CD1 3.99Å; I519-L539 HydrophobicContact CG2-CD2 4.37Å; I519-L539 HydrophobicContact CG2-CG 4.24Å; H535-L539 WeakPolarHBondContact O-CB 3.24Å; H535-L539 VanDerWaalsContact O-CG 3.31Å; H535-L539 WeakPolarHBondContact O-CG 2.89Å; H535-L539 PolarHBondContact O-N 3.01Å; L536-L539 PolarHBondContact O-N 3.4Å; L539-V542 PolarHBondContact O-N 3.12Å; L539-A543 WeakPolarHBondContact O-CB 3.33Å; L539-A543 PolarHBondContact O-N 3.05Å; L539-F556 HydrophobicContact CD1-CD1 3.8Å; L539-F556 HydrophobicContact CD1-CE1 3.99Å; L539-V583 HydrophobicContact CB-CG1 4.27Å; L539-V583 HydrophobicContact CB-CG2 3.99Å
540A85.3Confident83.4Confident18 Ų1840.7 Ų40.715%0.14921%0.207CC..Hα-helixtrans-65.4-47.4175.400000110.4L536 K537 V538 V542 A543 E544 V583L536-A540 WeakPolarHBondContact O-CB 2.89Å; L536-A540 PolarHBondContact O-N 2.99Å; K537-A540 PolarHBondContact O-N 3.21Å; V538-A540 VanDerWaalsContact C-N 3.28Å; V538-A540 PolarHBondContact O-N 3.35Å; A540-V542 PolarHBondContact O-N 3.42Å; A540-A543 PolarHBondContact O-N 3.37Å; A540-A543 VanDerWaalsContact O-N 3.12Å; A540-E544 PolarHBondContact O-N 2.75Å; A540-V583 HydrophobicContact CB-CG2 3.98Å
541R84.9Confident84.1Confident19 Ų1941.1 Ų41.17%0.07220%0.202CC..Hα-helixtrans-62.6-40.4174.1-177.166.7-171.675.34.5112.5L492 N496 L512 K537 V538 A543 E544 E545L492-R541 HydrophobicContact CD2-CB 3.71Å; L492-R541 HydrophobicContact CD2-CG 3.76Å; N496-R541 PolarHBondContact OD1-NE 2.59Å; L512-R541 HydrophobicContact CD2-CG 4.34Å; K537-R541 PolarHBondContact O-N 2.93Å; V538-R541 PolarHBondContact O-N 3.48Å; R541-A543 PolarHBondContact O-N 3.01Å; R541-E544 VanDerWaalsContact CD-OE2 3.29Å; R541-E544 WeakPolarHBondContact CD-OE2 3.33Å; R541-E544 IonicContact NE-OE2 3.13Å; R541-E544 IonicContact NH1-OE2 2.85Å; R541-E544 WeakPolarHBondContact O-CB 3.43Å; R541-E544 PolarHBondContact O-N 2.78Å; R541-E545 IonicContact CZ-OE1 2.78Å; R541-E545 IonicContact NH1-OE1 2.59Å; R541-E545 PolarHBondContact NH1-OE1 3.44Å; R541-E545 IonicContact NH2-OE1 3.27Å; R541-E545 PolarHBondContact NH2-OE1 3.11Å
542V86.6Confident84.5Confident0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-59.8-34.3174.1170.20000111.6L512 Q516 V538 L539 A540 E544 E545 I548 Q550L512-V542 HydrophobicContact CB-CG2 4.04Å; L512-V542 HydrophobicContact CD2-CG2 3.77Å; L512-V542 HydrophobicContact CG-CG2 4.46Å; Q516-V542 HydrophobicContact CB-CG1 4.09Å; Q516-V542 HydrophobicContact CG-CG1 4.11Å; V538-V542 HydrophobicContact CG1-CG2 4.26Å; V538-V542 WeakPolarHBondContact O-CG2 3.41Å; V538-V542 PolarHBondContact O-N 2.93Å; L539-V542 PolarHBondContact O-N 3.12Å; A540-V542 PolarHBondContact O-N 3.42Å; V542-E544 VanDerWaalsContact C-N 3.31Å; V542-E545 PolarHBondContact O-N 3.22Å; V542-I548 HydrophobicContact CG1-CB 4.49Å; V542-I548 HydrophobicContact CG1-CD1 4.16Å; V542-I548 HydrophobicContact CG1-CG2 3.86Å; V542-Q550 PolarHBondContact O-NE2 2.84Å
543A84.7Confident84.7Confident2 Ų240.9 Ų40.92%0.01720%0.204CC..Hα-helixtrans-78.4-12.2-179.300000114.1L539 A540 R541 Q550 C586 V587L539-A543 WeakPolarHBondContact O-CB 3.33Å; L539-A543 PolarHBondContact O-N 3.05Å; A540-A543 PolarHBondContact O-N 3.37Å; A540-A543 VanDerWaalsContact O-N 3.12Å; R541-A543 PolarHBondContact O-N 3.01Å; A543-Q550 HydrophobicContact CB-CG 4.44Å; A543-C586 HydrophobicContact CB-CB 3.49Å; A543-C586 VanDerWaalsContact CB-CB 3.49Å; A543-V587 HydrophobicContact CB-CG2 3.87Å
544E84.5Confident84.9Confident115 Ų11538.6 Ų38.654%0.53719%0.188SC..Hα-helixtrans-78.5-23.8172.1-68168.4-175.300112.4A540 R541 V542 C586A540-E544 PolarHBondContact O-N 2.75Å; R541-E544 VanDerWaalsContact CD-OE2 3.29Å; R541-E544 WeakPolarHBondContact CD-OE2 3.33Å; R541-E544 IonicContact NE-OE2 3.13Å; R541-E544 IonicContact NH1-OE2 2.85Å; R541-E544 WeakPolarHBondContact O-CB 3.43Å; R541-E544 PolarHBondContact O-N 2.78Å; V542-E544 VanDerWaalsContact C-N 3.31Å; E544-C586 HydrophobicContact CG-CB 4.26Å
545E84.2Confident85Confident23 Ų2340.9 Ų40.911%0.10720%0.204CC..  trans-80.4121.4179.2-66-57.814600112.3L512 R541 V542 E547 I548 H590L512-E545 HydrophobicContact CD1-CG 3.52Å; R541-E545 IonicContact CZ-OE1 2.78Å; R541-E545 IonicContact NH1-OE1 2.59Å; R541-E545 PolarHBondContact NH1-OE1 3.44Å; R541-E545 IonicContact NH2-OE1 3.27Å; R541-E545 PolarHBondContact NH2-OE1 3.11Å; V542-E545 PolarHBondContact O-N 3.22Å; E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 3.18Å; E545-I548 HydrophobicContact CB-CD1 3.92Å; E545-I548 HydrophobicContact CB-CG1 4.08Å; E545-I548 HydrophobicContact CG-CD1 4.34Å; E545-I548 PolarHBondContact O-N 3.38Å; E545-H590 PolarHBondContact O-NE2 3.33Å
546E81.1Confident84.9Confident135 Ų13540.8 Ų40.863%0.63120%0.203SC*.THydrogen-bonded Turntrans-65.3-28.2-174.9-63.8-169.7176.400114.2I548 H590 P591E546-I548 VanDerWaalsContact C-N 3.34Å; E546-I548 PolarHBondContact O-N 3.47Å; E546-H590 PolarHBondContact O-CE1 2.92Å; E546-P591 HydrophobicContact CB-CG 3.8Å; E546-P591 HydrophobicContact CG-CG 3.89Å
547E81.9Confident84.9Confident125 Ų12540.8 Ų40.858%0.58420%0.203SC*.THydrogen-bonded Turntrans-77.9-15.1-175.1-60.9-166.8164.300113.4V509 E545V509-E547 HydrophobicContact CG1-CB 4.21Å; E545-E547 VanDerWaalsContact C-N 3.29Å; E545-E547 PolarHBondContact O-N 3.18Å
548I83.7Confident84.9Confident2 Ų238.6 Ų38.61%0.0120%0.199CC..SBendtrans-98.4123.9-169.5-54.7-178.6000112.1V509 L512 Q513 V542 E545 E546 Q550 H590V509-I548 HydrophobicContact CG1-CD1 4.21Å; V509-I548 HydrophobicContact CG1-CG1 4Å; L512-I548 HydrophobicContact CB-CD1 3.6Å; Q513-I548 HydrophobicContact CG-CB 4.45Å; Q513-I548 HydrophobicContact CG-CD1 3.82Å; Q513-I548 HydrophobicContact CG-CG1 3.73Å; Q513-I548 HydrophobicContact CG-CG2 4.07Å; V542-I548 HydrophobicContact CG1-CB 4.49Å; V542-I548 HydrophobicContact CG1-CD1 4.16Å; V542-I548 HydrophobicContact CG1-CG2 3.86Å; E545-I548 HydrophobicContact CB-CD1 3.92Å; E545-I548 HydrophobicContact CB-CG1 4.08Å; E545-I548 HydrophobicContact CG-CD1 4.34Å; E545-I548 PolarHBondContact O-N 3.38Å; E546-I548 VanDerWaalsContact C-N 3.34Å; E546-I548 PolarHBondContact O-N 3.47Å; I548-Q550 PolarHBondContact O-N 3.48Å; I548-Q550 PolarHBondContact O-NE2 3.04Å; I548-H590 PolarHBondContact O-NE2 3.11Å
549C84.4Confident84.6Confident67 Ų6740.2 Ų40.245%0.45321%0.209SC..  trans-72.3122.2177.5-177.60000112.8Q516 R551Q516-C549 PolarHBondContact NE2-O 3.13Å; C549-R551 PolarHBondContact O-N 3.01Å
550Q86.5Confident84.3Confident0 Ų040.4 Ų40.40%021%0.21CC..THydrogen-bonded Turntrans-88.55.7-174.1-55.5-57.8-33.300115.9V542 A543 I548 S552 S553 L554 V587 I596V542-Q550 PolarHBondContact O-NE2 2.84Å; A543-Q550 HydrophobicContact CB-CG 4.44Å; I548-Q550 PolarHBondContact O-N 3.48Å; I548-Q550 PolarHBondContact O-NE2 3.04Å; Q550-S552 VanDerWaalsContact C-N 3.32Å; Q550-S552 PolarHBondContact O-N 2.94Å; Q550-S553 WeakPolarHBondContact O-CB 3.3Å; Q550-S553 PolarHBondContact O-N 3.22Å; Q550-S553 PolarHBondContact OE1-OG 3.03Å; Q550-L554 PolarHBondContact O-N 3.23Å; Q550-V587 HydrophobicContact CB-CG2 4.13Å; Q550-V587 HydrophobicContact CG-CG2 4.19Å; Q550-I596 HydrophobicContact CB-CD1 4.04Å
551R84.4Confident83.9Confident150 Ų15039.8 Ų39.857%0.56621%0.205SC*.Hα-helixtrans-59.5-40.2-178.1-74.4-175.2-178.71662.8113.2C549 L554 S555 I596C549-R551 PolarHBondContact O-N 3.01Å; R551-L554 PolarHBondContact O-N 2.94Å; R551-S555 PolarHBondContact O-N 3.41Å; R551-I596 HydrophobicContact CG-CD1 4.44Å; R551-I596 HydrophobicContact CG-CG1 4.12Å
552S84.6Confident83.4Confident37 Ų3741.9 Ų41.926%0.25922%0.22SC..Hα-helixtrans-67.9-44.1177.953.20000111.1Q516 T520 Q550 L554 S555 F556Q516-S552 VanDerWaalsContact CD-OG 3.31Å; Q516-S552 PolarHBondContact NE2-OG 3.19Å; Q516-S552 VanDerWaalsContact NE2-OG 3.14Å; T520-S552 WeakPolarHBondContact CG2-O 3.37Å; Q550-S552 VanDerWaalsContact C-N 3.32Å; Q550-S552 PolarHBondContact O-N 2.94Å; S552-L554 VanDerWaalsContact C-N 3.29Å; S552-L554 PolarHBondContact O-N 3.45Å; S552-S555 WeakPolarHBondContact CA-OG 3.17Å; S552-S555 PolarHBondContact O-N 3.01Å; S552-S555 PolarHBondContact O-OG 3Å; S552-F556 PolarHBondContact O-N 3.28Å
553S85.4Confident82.4Confident0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-52.2-47.6173.3-52.40000111.2Q516 Q550 F556 L557Q516-S553 PolarHBondContact NE2-OG 3.07Å; Q550-S553 WeakPolarHBondContact O-CB 3.3Å; Q550-S553 PolarHBondContact O-N 3.22Å; Q550-S553 PolarHBondContact OE1-OG 3.03Å; S553-F556 WeakPolarHBondContact O-CB 3.24Å; S553-F556 PolarHBondContact O-N 3.18Å; S553-L557 WeakPolarHBondContact O-CG 3.33Å; S553-L557 PolarHBondContact O-N 3.02Å
554L86.1Confident81.1Confident2 Ų249.6 Ų49.61%0.0126%0.258CS..Hα-helixtrans-73.3-35.3-179.1-66.9170.3000113.6Q550 R551 S552 F556 L557 S558 V587 I596 P599 L600 I603Q550-L554 PolarHBondContact O-N 3.23Å; R551-L554 PolarHBondContact O-N 2.94Å; S552-L554 VanDerWaalsContact C-N 3.29Å; S552-L554 PolarHBondContact O-N 3.45Å; L554-F556 PolarHBondContact O-N 3.39Å; L554-L557 HydrophobicContact CD2-CD1 4.28Å; L554-L557 PolarHBondContact O-N 2.87Å; L554-S558 VanDerWaalsContact O-CB 3.3Å; L554-S558 WeakPolarHBondContact O-CB 3.45Å; L554-S558 PolarHBondContact O-N 3.39Å; L554-V587 HydrophobicContact CD1-CG1 4.17Å; L554-V587 HydrophobicContact CD2-CG1 4.5Å; L554-V587 HydrophobicContact CD2-CG2 4.5Å; L554-I596 HydrophobicContact CD1-CB 4.39Å; L554-I596 HydrophobicContact CD1-CG2 2.95Å; L554-I596 HydrophobicContact CG-CG2 4.38Å; L554-P599 HydrophobicContact CB-CB 4.38Å; L554-P599 HydrophobicContact CD1-CB 4.31Å; L554-L600 HydrophobicContact CD1-CB 4.4Å; L554-L600 HydrophobicContact CD2-CD1 3.93Å; L554-I603 HydrophobicContact CB-CD1 4.04Å; L554-I603 HydrophobicContact CD2-CD1 3.75Å; L554-I603 HydrophobicContact CG-CD1 4.48Å; L554-I603 WeakPolarHBondContact O-CD1 3.45Å
555S85.6Confident79.5Confident66 Ų6647.2 Ų47.246%0.46225%0.254SS..Hα-helixtrans-60.5-38.2172.571.10000111.4R551 S552 T559R551-S555 PolarHBondContact O-N 3.41Å; S552-S555 WeakPolarHBondContact CA-OG 3.17Å; S552-S555 PolarHBondContact O-N 3.01Å; S552-S555 PolarHBondContact O-OG 3Å; S555-T559 WeakPolarHBondContact O-CB 3.42Å; S555-T559 PolarHBondContact O-N 3.36Å; S555-T559 PolarHBondContact O-OG1 3.36Å
556F85Confident78Confident4 Ų450.9 Ų50.92%0.01828%0.283CS..Hα-helixtrans-67.4-47.4174.6175.3-106.6000111.7I519 T520 F524 L527 L532 L539 S552 S553 L554 S558 T559 I560I519-F556 HydrophobicContact CG2-CD1 4.26Å; I519-F556 HydrophobicContact CG2-CE1 3.75Å; I519-F556 HydrophobicContact CG2-CZ 3.93Å; T520-F556 HydrophobicContact CG2-CB 3.92Å; T520-F556 HydrophobicContact CG2-CG 4.45Å; F524-F556 HydrophobicContact CE1-CD2 4.45Å; F524-F556 HydrophobicContact CE1-CE2 4.49Å; L527-F556 HydrophobicContact CD1-CE2 4.11Å; L527-F556 HydrophobicContact CD1-CZ 4.36Å; L532-F556 HydrophobicContact CD1-CE1 4.45Å; L539-F556 HydrophobicContact CD1-CD1 3.8Å; L539-F556 HydrophobicContact CD1-CE1 3.99Å; S552-F556 PolarHBondContact O-N 3.28Å; S553-F556 WeakPolarHBondContact O-CB 3.24Å; S553-F556 PolarHBondContact O-N 3.18Å; L554-F556 PolarHBondContact O-N 3.39Å; F556-S558 PolarHBondContact O-N 3.04Å; F556-T559 PolarHBondContact O-N 2.84Å; F556-I560 HydrophobicContact CD1-CD1 3.54Å; F556-I560 HydrophobicContact CD2-CD1 4.27Å; F556-I560 HydrophobicContact CE1-CD1 3.18Å; F556-I560 HydrophobicContact CE1-CG1 4.38Å; F556-I560 HydrophobicContact CE2-CD1 3.95Å; F556-I560 HydrophobicContact CE2-CG1 4.39Å; F556-I560 HydrophobicContact CG-CD1 4.09Å; F556-I560 HydrophobicContact CZ-CD1 3.41Å; F556-I560 VanDerWaalsContact CZ-CD1 3.41Å; F556-I560 HydrophobicContact CZ-CG1 4.26Å; F556-I560 WeakPolarHBondContact O-CG1 3.28Å; F556-I560 PolarHBondContact O-N 3.41Å
557L85.5Confident76.9Confident0 Ų047.3 Ų47.30%027%0.273CS..Hα-helixtrans-58.4-48.3174.6-68.6-168.7000112L536 S553 L554 T559 I560 V561 L580 V583 I603L536-L557 HydrophobicContact CD2-CD2 3.54Å; S553-L557 WeakPolarHBondContact O-CG 3.33Å; S553-L557 PolarHBondContact O-N 3.02Å; L554-L557 HydrophobicContact CD2-CD1 4.28Å; L554-L557 PolarHBondContact O-N 2.87Å; L557-T559 VanDerWaalsContact C-N 3.25Å; L557-T559 PolarHBondContact O-N 3.19Å; L557-I560 HydrophobicContact CD2-CD1 4.46Å; L557-I560 PolarHBondContact O-N 2.89Å; L557-I560 VanDerWaalsContact O-N 3.13Å; L557-V561 WeakPolarHBondContact O-CG2 3.19Å; L557-V561 PolarHBondContact O-N 3.21Å; L557-L580 HydrophobicContact CD2-CD2 3.65Å; L557-V583 HydrophobicContact CD1-CB 4.12Å; L557-V583 HydrophobicContact CD1-CG1 3.83Å; L557-I603 HydrophobicContact CB-CD1 3.93Å
558S83.9Confident76Confident45 Ų4541.8 Ų41.832%0.31525%0.247SC..Hα-helixtrans-56.4-42.4176.9179.60000111.3L554 F556 V561 T562L554-S558 VanDerWaalsContact O-CB 3.3Å; L554-S558 WeakPolarHBondContact O-CB 3.45Å; L554-S558 PolarHBondContact O-N 3.39Å; F556-S558 PolarHBondContact O-N 3.04Å; S558-V561 PolarHBondContact O-N 3.33Å; S558-T562 WeakPolarHBondContact O-CB 3.4Å; S558-T562 VanDerWaalsContact O-CG2 3.27Å; S558-T562 WeakPolarHBondContact O-CG2 3.45Å; S558-T562 PolarHBondContact O-N 2.85Å; S558-T562 PolarHBondContact O-OG1 3.11Å
559T81.3Confident74.9Confident34 Ų3442.1 Ų42.121%0.20925%0.249CC..Hα-helixtrans-67.2-40.3177.9-47.40000112.1F524 S555 F556 L557 Q563F524-T559 HydrophobicContact CD1-CG2 4.26Å; F524-T559 HydrophobicContact CD2-CG2 4.31Å; F524-T559 HydrophobicContact CE1-CG2 3.46Å; F524-T559 VanDerWaalsContact CE1-CG2 3.46Å; F524-T559 HydrophobicContact CE2-CG2 3.52Å; F524-T559 VanDerWaalsContact CZ-CB 3.46Å; F524-T559 HydrophobicContact CZ-CG2 3.06Å; S555-T559 WeakPolarHBondContact O-CB 3.42Å; S555-T559 PolarHBondContact O-N 3.36Å; S555-T559 PolarHBondContact O-OG1 3.36Å; F556-T559 PolarHBondContact O-N 2.84Å; L557-T559 VanDerWaalsContact C-N 3.25Å; L557-T559 PolarHBondContact O-N 3.19Å; T559-Q563 HydrophobicContact CG2-CG 3.93Å; T559-Q563 VanDerWaalsContact O-CB 3.29Å; T559-Q563 WeakPolarHBondContact O-CB 3.44Å; T559-Q563 PolarHBondContact O-N 3.29Å
560I79.8Confident73.8Confident4 Ų443.6 Ų43.62%0.02126%0.257CS..Hα-helixtrans-61.3-49174.8-68.9160.5000111.3L532 F556 L557 T564 L568L532-I560 HydrophobicContact CD1-CD1 3.64Å; L532-I560 HydrophobicContact CD2-CG2 4.01Å; F556-I560 HydrophobicContact CD1-CD1 3.54Å; F556-I560 HydrophobicContact CD2-CD1 4.27Å; F556-I560 HydrophobicContact CE1-CD1 3.18Å; F556-I560 HydrophobicContact CE1-CG1 4.38Å; F556-I560 HydrophobicContact CE2-CD1 3.95Å; F556-I560 HydrophobicContact CE2-CG1 4.39Å; F556-I560 HydrophobicContact CG-CD1 4.09Å; F556-I560 HydrophobicContact CZ-CD1 3.41Å; F556-I560 VanDerWaalsContact CZ-CD1 3.41Å; F556-I560 HydrophobicContact CZ-CG1 4.26Å; F556-I560 WeakPolarHBondContact O-CG1 3.28Å; F556-I560 PolarHBondContact O-N 3.41Å; L557-I560 HydrophobicContact CD2-CD1 4.46Å; L557-I560 PolarHBondContact O-N 2.89Å; L557-I560 VanDerWaalsContact O-N 3.13Å; I560-T564 WeakPolarHBondContact O-CB 3.39Å; I560-T564 PolarHBondContact O-N 2.99Å; I560-T564 PolarHBondContact O-OG1 3.31Å; I560-L568 HydrophobicContact CG2-CD1 3.73Å
561V77.3Confident72.9Confident5 Ų547 Ų473%0.0328%0.28CS..Hα-helixtrans-71.3-38-174.3-167.70000110.9L557 S558 L580 I603 H606 L607L557-V561 WeakPolarHBondContact O-CG2 3.19Å; L557-V561 PolarHBondContact O-N 3.21Å; S558-V561 PolarHBondContact O-N 3.33Å; V561-L580 HydrophobicContact CG2-CD1 4.44Å; V561-I603 HydrophobicContact CG2-CG2 4.43Å; V561-H606 WeakPolarHBondContact CG1-CD2 3.37Å; V561-H606 PolarHBondContact O-NE2 3.19Å; V561-L607 HydrophobicContact CG1-CD2 3.71Å; V561-L607 HydrophobicContact CG1-CG 4.18Å; V561-L607 HydrophobicContact CG2-CD2 4.06Å; V561-L607 HydrophobicContact CG2-CG 4.45Å
562T74.2Confident72.2Confident64 Ų6440.8 Ų40.839%0.39326%0.263SS..Hα-helixtrans-79.3-44.6-177.556.70000114.1S558 S565S558-T562 WeakPolarHBondContact O-CB 3.4Å; S558-T562 VanDerWaalsContact O-CG2 3.27Å; S558-T562 WeakPolarHBondContact O-CG2 3.45Å; S558-T562 PolarHBondContact O-N 2.85Å; S558-T562 PolarHBondContact O-OG1 3.11Å; T562-S565 WeakPolarHBondContact O-CB 3.25Å; T562-S565 PolarHBondContact O-OG 3.34Å
563Q67Low71.8Confident125 Ų12542.7 Ų42.758%0.58427%0.27SS*.Hα-helixtrans-84.2-24.8-174.7-63-173.9-21.100113.4T559 S565T559-Q563 HydrophobicContact CG2-CG 3.93Å; T559-Q563 VanDerWaalsContact O-CB 3.29Å; T559-Q563 WeakPolarHBondContact O-CB 3.44Å; T559-Q563 PolarHBondContact O-N 3.29Å; Q563-S565 VanDerWaalsContact C-N 3.29Å; Q563-S565 PolarHBondContact O-N 2.99Å
564T57.1Low71.6Confident38 Ų3847.1 Ų47.123%0.23329%0.287CS..THydrogen-bonded Turntrans-93.416.3178.6-29.60000112.9I560 S566 S567 L568I560-T564 WeakPolarHBondContact O-CB 3.39Å; I560-T564 PolarHBondContact O-N 2.99Å; I560-T564 PolarHBondContact O-OG1 3.31Å; T564-S566 PolarHBondContact O-N 3.27Å; T564-S567 WeakPolarHBondContact CG2-OG 3.45Å; T564-S567 PolarHBondContact O-N 3.12Å; T564-S567 VanDerWaalsContact O-N 3.1Å; T564-L568 HydrophobicContact CG2-CB 3.95Å; T564-L568 HydrophobicContact CG2-CD1 3.53Å; T564-L568 HydrophobicContact CG2-CG 3.59Å; T564-L568 PolarHBondContact O-N 3.34Å
565S51.6Low71.2Confident65 Ų6555.9 Ų55.946%0.45532%0.32SS..THydrogen-bonded Turntrans-55.6-18.7-173.840.80000114.6T562 Q563T562-S565 WeakPolarHBondContact O-CB 3.25Å; T562-S565 PolarHBondContact O-OG 3.34Å; Q563-S565 VanDerWaalsContact C-N 3.29Å; Q563-S565 PolarHBondContact O-N 2.99Å
566S50.9Low70.9Confident101 Ų10153 Ų5371%0.70630%0.299SS*.THydrogen-bonded Turntrans-90.4-16.7178.562.90000115.9T564 T570T564-S566 PolarHBondContact O-N 3.27Å; S566-T570 PolarHBondContact O-OG1 3.48Å
567S58.8Low70.8Confident60 Ų6052.8 Ų52.842%0.4230%0.298SS..THydrogen-bonded Turntrans-127.4-35.9-176.367.80000115.7T564 T570 S571T564-S567 WeakPolarHBondContact CG2-OG 3.45Å; T564-S567 PolarHBondContact O-N 3.12Å; T564-S567 VanDerWaalsContact O-N 3.1Å; S567-T570 WeakPolarHBondContact CA-OG1 3.13Å; S567-T570 PolarHBondContact N-OG1 3.47Å; S567-T570 PolarHBondContact O-OG1 2.9Å; S567-S571 WeakPolarHBondContact O-CB 3.26Å; S567-S571 PolarHBondContact O-N 2.95Å; S567-S571 PolarHBondContact O-OG 3.49Å; S567-S571 VanDerWaalsContact O-OG 3.07Å
568L62.6Low70.5Confident9 Ų953.3 Ų53.35%0.04730%0.301CS..Hα-helixtrans-82.4-45.4-179.1-87.9177.5000112.7L529 L532 I560 T564 T570 S571 L576L529-L568 HydrophobicContact CD2-CD1 4.49Å; L529-L568 HydrophobicContact CD2-CD2 3.21Å; L529-L568 HydrophobicContact CD2-CG 3.86Å; L532-L568 HydrophobicContact CD2-CD1 3.89Å; I560-L568 HydrophobicContact CG2-CD1 3.73Å; T564-L568 HydrophobicContact CG2-CB 3.95Å; T564-L568 HydrophobicContact CG2-CD1 3.53Å; T564-L568 HydrophobicContact CG2-CG 3.59Å; T564-L568 PolarHBondContact O-N 3.34Å; L568-T570 VanDerWaalsContact C-N 3.26Å; L568-T570 PolarHBondContact O-N 3.3Å; L568-S571 PolarHBondContact O-OG 3.18Å; L568-S571 VanDerWaalsContact O-OG 3.06Å; L568-L576 HydrophobicContact CD2-CD1 3.54Å; L568-L576 HydrophobicContact CD2-CD2 3.86Å; L568-L576 HydrophobicContact CD2-CG 4.35Å
569C60.4Low70.4Confident8 Ų851.6 Ų51.65%0.05429%0.291CS..Hα-helixtrans-71.9-26.1177.8-68.40000111.3H610 G612C569-H610 WeakPolarHBondContact CB-O 3.31Å; C569-G612 VanDerWaalsContact O-CA 3.25Å; C569-G612 WeakPolarHBondContact O-CA 3.49Å; C569-G612 PolarHBondContact O-N 3.06Å
570T61.8Low70.5Confident99 Ų9950.2 Ų50.261%0.60728%0.282SS*.Hα-helixtrans-87-28.6177.149.80000113.4S566 S567 L568 G572S566-T570 PolarHBondContact O-OG1 3.48Å; S567-T570 WeakPolarHBondContact CA-OG1 3.13Å; S567-T570 PolarHBondContact N-OG1 3.47Å; S567-T570 PolarHBondContact O-OG1 2.9Å; L568-T570 VanDerWaalsContact C-N 3.26Å; L568-T570 PolarHBondContact O-N 3.3Å; T570-G572 VanDerWaalsContact C-N 3.32Å
571S67.7Low70.7Confident70 Ų7050 Ų5049%0.4928%0.281SS..Hα-helixtrans-70.5-27.717664.40000113.1S567 L568 D573S567-S571 WeakPolarHBondContact O-CB 3.26Å; S567-S571 PolarHBondContact O-N 2.95Å; S567-S571 PolarHBondContact O-OG 3.49Å; S567-S571 VanDerWaalsContact O-OG 3.07Å; L568-S571 PolarHBondContact O-OG 3.18Å; L568-S571 VanDerWaalsContact O-OG 3.06Å; S571-D573 VanDerWaalsContact C-N 3.3Å; S571-D573 PolarHBondContact O-N 3.49Å
572G69.1Low71Confident20 Ų2050.9 Ų50.921%0.20629%0.291CS..THydrogen-bonded Turntrans63.131.4177.300000113.8T570 W574T570-G572 VanDerWaalsContact C-N 3.32Å; G572-W574 PolarHBondContact O-N 2.89Å
573D77.2Confident71.4Confident77 Ų7747.9 Ų47.941%0.41227%0.272SS..  trans-68.398.2-178.8-172.9-8.5000111.6S571 R575 L576 G577 Y611S571-D573 VanDerWaalsContact C-N 3.3Å; S571-D573 PolarHBondContact O-N 3.49Å; D573-R575 PolarHBondContact O-N 2.89Å; D573-R575 VanDerWaalsContact O-N 3.11Å; D573-R575 PolarHBondContact OD1-N 3.11Å; D573-L576 HydrophobicContact CB-CB 4.27Å; D573-L576 PolarHBondContact O-N 2.99Å; D573-L576 VanDerWaalsContact O-N 3.07Å; D573-G577 PolarHBondContact O-N 3.22Å; D573-Y611 PolarHBondContact O-OH 3.29Å
574W80.6Confident72.3Confident93 Ų9341.9 Ų41.935%0.35225%0.245SC..Hα-helixtrans-51.9-34.4-177.617890.2000114G572 N578 D615 A660G572-W574 PolarHBondContact O-N 2.89Å; W574-N578 WeakPolarHBondContact CZ2-ND2 3.42Å; W574-N578 PolarHBondContact NE1-ND2 3.24Å; W574-N578 PolarHBondContact O-N 3.28Å; W574-N578 PolarHBondContact O-ND2 2.87Å; W574-D615 PolarHBondContact NE1-OD2 3.46Å; W574-A660 HydrophobicContact CH2-CB 3.4Å; W574-A660 VanDerWaalsContact CH2-CB 3.4Å; W574-A660 HydrophobicContact CZ2-CB 4.24Å; W574-A660 HydrophobicContact CZ3-CB 4.23Å
575R77.9Confident73.7Confident186 Ų18642 Ų4270%0.70224%0.241SC*.Hα-helixtrans-68.6-41.6180-68.2-176.3178-176.5-1.2111.9D573 N578 G579D573-R575 PolarHBondContact O-N 2.89Å; D573-R575 VanDerWaalsContact O-N 3.11Å; D573-R575 PolarHBondContact OD1-N 3.11Å; R575-N578 PolarHBondContact O-N 3.39Å; R575-G579 PolarHBondContact O-N 3.15Å
576L80Confident75.1Confident5 Ų539.8 Ų39.83%0.02623%0.225CC..Hα-helixtrans-71.3-39.3179.3-170.1152.6000111L529 L532 L536 L568 D573 N578 G579 L580L529-L576 HydrophobicContact CD2-CD1 4.45Å; L532-L576 HydrophobicContact CB-CD1 4.49Å; L532-L576 HydrophobicContact CD2-CD1 3.85Å; L532-L576 HydrophobicContact CD2-CD2 4.25Å; L532-L576 HydrophobicContact CD2-CG 4.31Å; L532-L576 HydrophobicContact CG-CD1 4.26Å; L536-L576 HydrophobicContact CD1-CG 4.3Å; L568-L576 HydrophobicContact CD2-CD1 3.54Å; L568-L576 HydrophobicContact CD2-CD2 3.86Å; L568-L576 HydrophobicContact CD2-CG 4.35Å; D573-L576 HydrophobicContact CB-CB 4.27Å; D573-L576 PolarHBondContact O-N 2.99Å; D573-L576 VanDerWaalsContact O-N 3.07Å; L576-N578 VanDerWaalsContact C-N 3.33Å; L576-N578 PolarHBondContact O-N 3.49Å; L576-G579 PolarHBondContact O-N 2.91Å; L576-L580 HydrophobicContact CD2-CD1 3.86Å; L576-L580 HydrophobicContact CD2-CG 4.29Å; L576-L580 PolarHBondContact O-N 3.34Å
577G81.4Confident76.7Confident0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-57.9-43.5171.600000112.5D573 L580 L581 Y611D573-G577 PolarHBondContact O-N 3.22Å; G577-L580 PolarHBondContact O-N 3.22Å; G577-L581 WeakPolarHBondContact O-CG 3.41Å; G577-L581 PolarHBondContact O-N 3.45Å; G577-Y611 WeakPolarHBondContact CA-OH 3.43Å; G577-Y611 PolarHBondContact N-OH 3.49Å
578N80.9Confident77.9Confident11 Ų1132.2 Ų32.26%0.05917%0.172CC..Hα-helixtrans-64.8-38.9174.1-83.7-67.8000112.7W574 R575 L576 L580 L581 G582 M659W574-N578 WeakPolarHBondContact CZ2-ND2 3.42Å; W574-N578 PolarHBondContact NE1-ND2 3.24Å; W574-N578 PolarHBondContact O-N 3.28Å; W574-N578 PolarHBondContact O-ND2 2.87Å; R575-N578 PolarHBondContact O-N 3.39Å; L576-N578 VanDerWaalsContact C-N 3.33Å; L576-N578 PolarHBondContact O-N 3.49Å; N578-L580 VanDerWaalsContact C-N 3.33Å; N578-L580 PolarHBondContact O-N 3.21Å; N578-L581 PolarHBondContact O-N 2.76Å; N578-G582 PolarHBondContact O-N 2.7Å; N578-M659 WeakPolarHBondContact OD1-CE 3.49Å
579G80.4Confident78.8Confident10 Ų1034.7 Ų34.710%0.10319%0.185CC..Hα-helixtrans-58.3-43.1172.700000112.7R575 L576 G582 V583R575-G579 PolarHBondContact O-N 3.15Å; L576-G579 PolarHBondContact O-N 2.91Å; G579-G582 PolarHBondContact O-N 2.92Å; G579-V583 WeakPolarHBondContact O-CG2 3.21Å; G579-V583 PolarHBondContact O-N 3.19Å
580L84.6Confident79.8Confident5 Ų534.6 Ų34.63%0.02618%0.183CC..Hα-helixtrans-63.5-47.4176.2-69.8169.6000111.7L536 L557 V561 L576 G577 N578 G582 V583 C584 L607L536-L580 HydrophobicContact CD1-CD2 4.01Å; L536-L580 HydrophobicContact CD1-CG 3.97Å; L536-L580 HydrophobicContact CD2-CD2 3.66Å; L536-L580 HydrophobicContact CD2-CG 4.41Å; L557-L580 HydrophobicContact CD2-CD2 3.65Å; V561-L580 HydrophobicContact CG2-CD1 4.44Å; L576-L580 HydrophobicContact CD2-CD1 3.86Å; L576-L580 HydrophobicContact CD2-CG 4.29Å; L576-L580 PolarHBondContact O-N 3.34Å; G577-L580 PolarHBondContact O-N 3.22Å; N578-L580 VanDerWaalsContact C-N 3.33Å; N578-L580 PolarHBondContact O-N 3.21Å; L580-G582 VanDerWaalsContact C-N 3.3Å; L580-G582 PolarHBondContact O-N 2.74Å; L580-V583 PolarHBondContact O-N 2.9Å; L580-C584 PolarHBondContact O-N 3.44Å; L580-C584 PolarHBondContact O-SG 3.36Å; L580-C584 VanDerWaalsContact O-SG 3.39Å; L580-L607 HydrophobicContact CB-CD1 4.47Å; L580-L607 HydrophobicContact CD1-CD2 4.14Å
581L83.8Confident80.5Confident0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-64.7-33.9177.5-72.6179.5000112.5G577 N578 C584 R585 L604 I616 H619 A620 Y623G577-L581 WeakPolarHBondContact O-CG 3.41Å; G577-L581 PolarHBondContact O-N 3.45Å; N578-L581 PolarHBondContact O-N 2.76Å; L581-C584 PolarHBondContact O-N 3.36Å; L581-R585 WeakPolarHBondContact O-CB 3.45Å; L581-R585 PolarHBondContact O-N 3.34Å; L581-L604 HydrophobicContact CD2-CD2 4.37Å; L581-I616 HydrophobicContact CD1-CB 4.38Å; L581-I616 HydrophobicContact CD1-CD1 3.83Å; L581-I616 HydrophobicContact CD1-CG2 3.93Å; L581-I616 HydrophobicContact CG-CG2 4.29Å; L581-H619 HydrophobicContact CD1-CB 3.58Å; L581-A620 HydrophobicContact CD2-CB 4.07Å; L581-Y623 HydrophobicContact CB-CE2 4.13Å; L581-Y623 HydrophobicContact CD2-CD2 3.92Å; L581-Y623 HydrophobicContact CD2-CE2 4.12Å
582G82Confident80.9Confident23 Ų2332.6 Ų32.624%0.23717%0.166CC..Hα-helixtrans-60.4-49.417400000111.7N578 G579 L580 C584 R585 C586N578-G582 PolarHBondContact O-N 2.7Å; G579-G582 PolarHBondContact O-N 2.92Å; L580-G582 VanDerWaalsContact C-N 3.3Å; L580-G582 PolarHBondContact O-N 2.74Å; G582-C584 PolarHBondContact O-N 2.97Å; G582-R585 WeakPolarHBondContact O-CB 3.27Å; G582-R585 PolarHBondContact O-N 2.89Å; G582-C586 PolarHBondContact O-N 3.28Å; G582-C586 PolarHBondContact O-SG 3.48Å; G582-C586 VanDerWaalsContact O-SG 3.34Å
583V84.1Confident81.4Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-60.9-46.9174.5-176.10000110.9L536 L539 A540 L557 G579 L580 R585 C586 V587L536-V583 HydrophobicContact CB-CG2 4.41Å; L536-V583 HydrophobicContact CD2-CG2 4.16Å; L536-V583 VanDerWaalsContact O-CG2 3.27Å; L536-V583 WeakPolarHBondContact O-CG2 3.33Å; L539-V583 HydrophobicContact CB-CG1 4.27Å; L539-V583 HydrophobicContact CB-CG2 3.99Å; A540-V583 HydrophobicContact CB-CG2 3.98Å; L557-V583 HydrophobicContact CD1-CB 4.12Å; L557-V583 HydrophobicContact CD1-CG1 3.83Å; G579-V583 WeakPolarHBondContact O-CG2 3.21Å; G579-V583 PolarHBondContact O-N 3.19Å; L580-V583 PolarHBondContact O-N 2.9Å; V583-R585 VanDerWaalsContact C-N 3.28Å; V583-R585 PolarHBondContact O-N 2.85Å; V583-C586 PolarHBondContact O-N 2.87Å; V583-V587 HydrophobicContact CG1-CG2 4.37Å; V583-V587 VanDerWaalsContact O-CG2 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.4Å; V583-V587 PolarHBondContact O-N 2.92Å
584C86Confident81.4Confident0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-58.6-39.5177.5-70.20000112.2L580 L581 G582 V587 L588 L600 L604L580-C584 PolarHBondContact O-N 3.44Å; L580-C584 PolarHBondContact O-SG 3.36Å; L580-C584 VanDerWaalsContact O-SG 3.39Å; L581-C584 PolarHBondContact O-N 3.36Å; G582-C584 PolarHBondContact O-N 2.97Å; C584-V587 PolarHBondContact O-N 2.88Å; C584-L588 VanDerWaalsContact O-CG 3.27Å; C584-L588 WeakPolarHBondContact O-CG 3.25Å; C584-L588 PolarHBondContact O-N 2.88Å; C584-L600 HydrophobicContact CB-CD1 3.99Å; C584-L604 HydrophobicContact CB-CD2 3.96Å
585R85.1Confident81.4Confident41 Ų4132.7 Ų32.716%0.15517%0.173CC..Hα-helixtrans-64.2-44.6176.9-176.2-174.1173.6-162.61112.1L581 G582 V583 V587 L588 L589 Y623 L639 S642L581-R585 WeakPolarHBondContact O-CB 3.45Å; L581-R585 PolarHBondContact O-N 3.34Å; G582-R585 WeakPolarHBondContact O-CB 3.27Å; G582-R585 PolarHBondContact O-N 2.89Å; V583-R585 VanDerWaalsContact C-N 3.28Å; V583-R585 PolarHBondContact O-N 2.85Å; R585-V587 VanDerWaalsContact C-N 3.33Å; R585-V587 PolarHBondContact O-N 3.41Å; R585-L588 WeakPolarHBondContact O-CB 3.48Å; R585-L588 PolarHBondContact O-N 3.47Å; R585-L589 PolarHBondContact O-N 3.09Å; R585-Y623 HydrophobicContact CB-CE2 4.23Å; R585-L639 PolarHBondContact NH2-O 3.13Å; R585-S642 PolarHBondContact NH2-OG 3.31Å
586C82.6Confident81.6Confident18 Ų1823.9 Ų23.912%0.12214%0.14CC..Hα-helixtrans-63.7-41176.5-61.40000111.1A543 E544 G582 V583 L588 L589 H590A543-C586 HydrophobicContact CB-CB 3.49Å; A543-C586 VanDerWaalsContact CB-CB 3.49Å; E544-C586 HydrophobicContact CG-CB 4.26Å; G582-C586 PolarHBondContact O-N 3.28Å; G582-C586 PolarHBondContact O-SG 3.48Å; G582-C586 VanDerWaalsContact O-SG 3.34Å; V583-C586 PolarHBondContact O-N 2.87Å; C586-L588 VanDerWaalsContact C-N 3.33Å; C586-L588 PolarHBondContact O-N 3.14Å; C586-L589 WeakPolarHBondContact O-CB 3.37Å; C586-L589 PolarHBondContact O-N 3.13Å; C586-L589 VanDerWaalsContact O-N 3.11Å; C586-H590 PolarHBondContact O-N 2.78Å
587V84.4Confident81.7Confident0 Ų026.7 Ų26.70%016%0.155CC..Hα-helixtrans-65-35.4175.8178.40000112.3A543 Q550 L554 V583 C584 R585 L589 H590 I596 L600A543-V587 HydrophobicContact CB-CG2 3.87Å; Q550-V587 HydrophobicContact CB-CG2 4.13Å; Q550-V587 HydrophobicContact CG-CG2 4.19Å; L554-V587 HydrophobicContact CD1-CG1 4.17Å; L554-V587 HydrophobicContact CD2-CG1 4.5Å; L554-V587 HydrophobicContact CD2-CG2 4.5Å; V583-V587 HydrophobicContact CG1-CG2 4.37Å; V583-V587 VanDerWaalsContact O-CG2 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.4Å; V583-V587 PolarHBondContact O-N 2.92Å; C584-V587 PolarHBondContact O-N 2.88Å; R585-V587 VanDerWaalsContact C-N 3.33Å; R585-V587 PolarHBondContact O-N 3.41Å; V587-L589 PolarHBondContact O-N 3.49Å; V587-H590 VanDerWaalsContact O-CB 3.25Å; V587-H590 WeakPolarHBondContact O-CB 3.27Å; V587-H590 PolarHBondContact O-N 3.33Å; V587-H590 VanDerWaalsContact O-N 3.11Å; V587-I596 HydrophobicContact CG1-CG2 3.93Å; V587-L600 HydrophobicContact CG1-CD1 4.44Å; V587-L600 HydrophobicContact CG1-CD2 4.01Å
588L83.2Confident81.9Confident1 Ų131.2 Ų31.21%0.00518%0.182CC..Hα-helixtrans-60.1-29.6174.3-78.9174000112.7C584 R585 C586 L600 Y623 L627 L635 L639C584-L588 VanDerWaalsContact O-CG 3.27Å; C584-L588 WeakPolarHBondContact O-CG 3.25Å; C584-L588 PolarHBondContact O-N 2.88Å; R585-L588 WeakPolarHBondContact O-CB 3.48Å; R585-L588 PolarHBondContact O-N 3.47Å; C586-L588 VanDerWaalsContact C-N 3.33Å; C586-L588 PolarHBondContact O-N 3.14Å; L588-L600 HydrophobicContact CD2-CD2 3.56Å; L588-L600 HydrophobicContact CG-CD2 3.94Å; L588-Y623 HydrophobicContact CD1-CD1 4.24Å; L588-Y623 HydrophobicContact CD1-CD2 4.47Å; L588-Y623 HydrophobicContact CD1-CG 3.97Å; L588-L627 HydrophobicContact CD2-CB 3.96Å; L588-L627 HydrophobicContact CD2-CD1 3.72Å; L588-L627 HydrophobicContact CD2-CD2 4.34Å; L588-L627 HydrophobicContact CD2-CG 4.21Å; L588-L635 HydrophobicContact CB-CD2 4.15Å; L588-L635 HydrophobicContact CD2-CD1 4.38Å; L588-L635 VanDerWaalsContact O-CD2 3.28Å; L588-L635 WeakPolarHBondContact O-CD2 3.46Å; L588-L639 HydrophobicContact CB-CD1 3.88Å; L588-L639 HydrophobicContact CD1-CD1 4.17Å
589L80.7Confident82.1Confident62 Ų6233.5 Ų33.533%0.32520%0.198SC..THydrogen-bonded Turntrans-85-8.5178.1-70.4175.3000113.7R585 C586 V587 L635 L639 V640R585-L589 PolarHBondContact O-N 3.09Å; C586-L589 WeakPolarHBondContact O-CB 3.37Å; C586-L589 PolarHBondContact O-N 3.13Å; C586-L589 VanDerWaalsContact O-N 3.11Å; V587-L589 PolarHBondContact O-N 3.49Å; L589-L635 HydrophobicContact CD2-CD2 4.48Å; L589-L639 HydrophobicContact CD1-CB 4.29Å; L589-L639 HydrophobicContact CD2-CB 3.5Å; L589-L639 VanDerWaalsContact CD2-CB 3.5Å; L589-L639 HydrophobicContact CD2-CD1 4.1Å; L589-L639 HydrophobicContact CD2-CG 4.42Å; L589-L639 HydrophobicContact CG-CB 4.09Å; L589-L639 HydrophobicContact CG-CD1 4.23Å; L589-V640 HydrophobicContact CD1-CG2 4.23Å; L589-V640 HydrophobicContact CD2-CG2 3.59Å
590H81.8Confident82.3Confident5 Ų533 Ų332%0.02319%0.193CC..  trans-73.1140.6-169.8-161.1-59.3000113E545 E546 I548 C586 V587 N592 L593E545-H590 PolarHBondContact O-NE2 3.33Å; E546-H590 PolarHBondContact O-CE1 2.92Å; I548-H590 PolarHBondContact O-NE2 3.11Å; C586-H590 PolarHBondContact O-N 2.78Å; V587-H590 VanDerWaalsContact O-CB 3.25Å; V587-H590 WeakPolarHBondContact O-CB 3.27Å; V587-H590 PolarHBondContact O-N 3.33Å; V587-H590 VanDerWaalsContact O-N 3.11Å; H590-N592 PolarHBondContact ND1-N 3.4Å; H590-N592 PolarHBondContact O-N 3.14Å; H590-L593 PolarHBondContact O-N 3.16Å
591P77.5Confident82.4Confident47 Ų4733.2 Ų33.231%0.30520%0.195SC..THydrogen-bonded Turntrans-63.2-9.7178.521.6-34.4000115.8E546 R632E546-P591 HydrophobicContact CB-CG 3.8Å; E546-P591 HydrophobicContact CG-CG 3.89Å; P591-R632 PolarHBondContact O-NH1 3.33Å; P591-R632 PolarHBondContact O-NH2 3.25Å
592N76.4Confident82.5Confident81 Ų8137.6 Ų37.643%0.43322%0.219SC..THydrogen-bonded Turntrans-109.419.8-178-70.6-40.6000112.9H590 D594 S595H590-N592 PolarHBondContact ND1-N 3.4Å; H590-N592 PolarHBondContact O-N 3.14Å; N592-D594 VanDerWaalsContact C-N 3.27Å; N592-D594 PolarHBondContact O-N 3.25Å; N592-S595 PolarHBondContact O-N 3.28Å; N592-S595 VanDerWaalsContact O-N 3.15Å; N592-S595 PolarHBondContact O-OG 3.37Å
593L78.6Confident82.8Confident9 Ų936.6 Ų36.65%0.04721%0.208CC..G310 helixtrans-51.7-39.6-175.5-176.363.9000113.6H590 S595 I596 L597 L600 L627 L635H590-L593 PolarHBondContact O-N 3.16Å; L593-S595 PolarHBondContact O-N 3.16Å; L593-S595 VanDerWaalsContact O-N 3.11Å; L593-I596 CarbonylContact O-C 3.43Å; L593-I596 WeakPolarHBondContact O-CA 3.31Å; L593-I596 PolarHBondContact O-N 3.16Å; L593-L597 PolarHBondContact O-N 2.94Å; L593-L600 HydrophobicContact CD1-CD2 3.86Å; L593-L627 HydrophobicContact CD1-CD1 4Å; L593-L627 HydrophobicContact CD2-CD1 3.95Å; L593-L627 HydrophobicContact CG-CD1 4.24Å; L593-L635 HydrophobicContact CD2-CD1 4.39Å
594D77.8Confident82.9Confident123 Ų12336.6 Ų36.666%0.65821%0.208SC*.G310 helixtrans-59-32-175.6-53.7-16.9000112.3N592 I596 R632N592-D594 VanDerWaalsContact C-N 3.27Å; N592-D594 PolarHBondContact O-N 3.25Å; D594-I596 VanDerWaalsContact C-N 3.29Å; D594-I596 PolarHBondContact O-N 3.49Å; D594-R632 IonicContact OD1-CZ 3.65Å; D594-R632 IonicContact OD1-NH2 3.18Å; D594-R632 PolarHBondContact OD1-NH2 2.89Å; D594-R632 IonicContact OD2-CZ 2.76Å; D594-R632 IonicContact OD2-NH2 3.75Å; D594-R632 PolarHBondContact OD2-NH2 2.84Å
595S79.5Confident83.1Confident59 Ų5940.3 Ų40.341%0.41323%0.225SC..G310 helixtrans-84.8-4.1-180770000113.9N592 L593N592-S595 PolarHBondContact O-N 3.28Å; N592-S595 VanDerWaalsContact O-N 3.15Å; N592-S595 PolarHBondContact O-OG 3.37Å; L593-S595 PolarHBondContact O-N 3.16Å; L593-S595 VanDerWaalsContact O-N 3.11Å
596I82.8Confident83.1Confident1 Ų140.6 Ų40.61%0.00523%0.228CC..THydrogen-bonded Turntrans-129.3-6.4-167.7-65.8-179.1000111.9Q550 R551 L554 V587 L593 D594 V598 P599 L600Q550-I596 HydrophobicContact CB-CD1 4.04Å; R551-I596 HydrophobicContact CG-CD1 4.44Å; R551-I596 HydrophobicContact CG-CG1 4.12Å; L554-I596 HydrophobicContact CD1-CB 4.39Å; L554-I596 HydrophobicContact CD1-CG2 2.95Å; L554-I596 HydrophobicContact CG-CG2 4.38Å; V587-I596 HydrophobicContact CG1-CG2 3.93Å; L593-I596 CarbonylContact O-C 3.43Å; L593-I596 WeakPolarHBondContact O-CA 3.31Å; L593-I596 PolarHBondContact O-N 3.16Å; D594-I596 VanDerWaalsContact C-N 3.29Å; D594-I596 PolarHBondContact O-N 3.49Å; I596-V598 PolarHBondContact O-N 3.26Å; I596-P599 VanDerWaalsContact O-CD 3.31Å; I596-P599 WeakPolarHBondContact O-CD 3.47Å; I596-L600 WeakPolarHBondContact O-CB 3.27Å; I596-L600 PolarHBondContact O-N 3.26Å
597L82.9Confident83.2Confident64 Ų6439.8 Ų39.834%0.33522%0.223SC..Hα-helixtrans-55.5-47.9-174.2-169.9155.7000113.1L593 L600 A601 L627L593-L597 PolarHBondContact O-N 2.94Å; L597-L600 PolarHBondContact O-N 3.21Å; L597-A601 VanDerWaalsContact O-CB 3.27Å; L597-A601 WeakPolarHBondContact O-CB 3.22Å; L597-A601 PolarHBondContact O-N 3.06Å; L597-L627 HydrophobicContact CD1-CD1 4.32Å; L597-L627 HydrophobicContact CG-CD1 4Å; L597-L627 HydrophobicContact CG-CD2 4.44Å; L597-L627 HydrophobicContact CG-CG 4.23Å
598V84.7Confident83.3Confident96 Ų9640 Ų4058%0.58222%0.224SC*.Hα-helixtrans-64.9-53.8-175.8176.60000111.9I596 L600 A601 D602I596-V598 PolarHBondContact O-N 3.26Å; V598-L600 VanDerWaalsContact C-N 3.27Å; V598-L600 PolarHBondContact O-N 2.98Å; V598-A601 PolarHBondContact O-N 3.07Å; V598-D602 PolarHBondContact O-N 2.8Å
599P84.3Confident83.3Confident58 Ų5846.1 Ų46.138%0.37725%0.251SS..Hα-helixtrans-56.1-38175.3-26.332000114.3L554 I596 I603L554-P599 HydrophobicContact CB-CB 4.38Å; L554-P599 HydrophobicContact CD1-CB 4.31Å; I596-P599 VanDerWaalsContact O-CD 3.31Å; I596-P599 WeakPolarHBondContact O-CD 3.47Å; P599-I603 VanDerWaalsContact O-CD1 3.32Å; P599-I603 WeakPolarHBondContact O-CD1 3.29Å; P599-I603 VanDerWaalsContact O-CG1 3.27Å; P599-I603 WeakPolarHBondContact O-CG1 3.35Å; P599-I603 PolarHBondContact O-N 3Å
600L86.2Confident83.3Confident0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-69.7-42.3178.9-179.163000111.9L554 C584 V587 L588 L593 I596 L597 V598 D602 I603 L604 L627L554-L600 HydrophobicContact CD1-CB 4.4Å; L554-L600 HydrophobicContact CD2-CD1 3.93Å; C584-L600 HydrophobicContact CB-CD1 3.99Å; V587-L600 HydrophobicContact CG1-CD1 4.44Å; V587-L600 HydrophobicContact CG1-CD2 4.01Å; L588-L600 HydrophobicContact CD2-CD2 3.56Å; L588-L600 HydrophobicContact CG-CD2 3.94Å; L593-L600 HydrophobicContact CD1-CD2 3.86Å; I596-L600 WeakPolarHBondContact O-CB 3.27Å; I596-L600 PolarHBondContact O-N 3.26Å; L597-L600 PolarHBondContact O-N 3.21Å; V598-L600 VanDerWaalsContact C-N 3.27Å; V598-L600 PolarHBondContact O-N 2.98Å; L600-D602 VanDerWaalsContact C-N 3.34Å; L600-I603 PolarHBondContact O-N 2.81Å; L600-L604 HydrophobicContact CD1-CD1 4.26Å; L600-L604 HydrophobicContact CD1-CG 4.38Å; L600-L604 HydrophobicContact CG-CD1 4.05Å; L600-L604 WeakPolarHBondContact O-CG 3.24Å; L600-L604 PolarHBondContact O-N 2.85Å; L600-L627 HydrophobicContact CB-CD2 4.4Å; L600-L627 HydrophobicContact CD2-CD2 4.1Å; L600-L627 HydrophobicContact CG-CD2 4.12Å
601A85.5Confident83.3Confident10 Ų1048.7 Ų48.78%0.08326%0.261CS..Hα-helixtrans-61.1-43.2176.700000111.4L597 V598 I603 L604 Q605 Y624 L627L597-A601 VanDerWaalsContact O-CB 3.27Å; L597-A601 WeakPolarHBondContact O-CB 3.22Å; L597-A601 PolarHBondContact O-N 3.06Å; V598-A601 PolarHBondContact O-N 3.07Å; A601-I603 PolarHBondContact O-N 2.71Å; A601-L604 PolarHBondContact O-N 2.81Å; A601-Q605 WeakPolarHBondContact O-CB 3.32Å; A601-Q605 PolarHBondContact O-N 3.44Å; A601-Y624 HydrophobicContact CB-CD2 4.3Å; A601-Y624 HydrophobicContact CB-CE2 3.92Å; A601-Y624 WeakPolarHBondContact O-CD2 3.23Å; A601-Y624 WeakPolarHBondContact O-CE2 3.5Å; A601-L627 HydrophobicContact CB-CD2 3.95Å
602D86.9Confident83.4Confident91 Ų9148.5 Ų48.549%0.48727%0.268SS..Hα-helixtrans-61.3-42.7177.8-68.9-22.5000111.9V598 L600 H606V598-D602 PolarHBondContact O-N 2.8Å; L600-D602 VanDerWaalsContact C-N 3.34Å; D602-H606 WeakPolarHBondContact O-CB 3.45Å; D602-H606 PolarHBondContact O-N 3.38Å
603I86.8Confident83.7Confident3 Ų346.5 Ų46.52%0.01526%0.257CS..Hα-helixtrans-65.5-49178-66.7160.9000110.9L554 L557 V561 P599 L600 A601 Q605 H606 L607L554-I603 HydrophobicContact CB-CD1 4.04Å; L554-I603 HydrophobicContact CD2-CD1 3.75Å; L554-I603 HydrophobicContact CG-CD1 4.48Å; L554-I603 WeakPolarHBondContact O-CD1 3.45Å; L557-I603 HydrophobicContact CB-CD1 3.93Å; V561-I603 HydrophobicContact CG2-CG2 4.43Å; P599-I603 VanDerWaalsContact O-CD1 3.32Å; P599-I603 WeakPolarHBondContact O-CD1 3.29Å; P599-I603 VanDerWaalsContact O-CG1 3.27Å; P599-I603 WeakPolarHBondContact O-CG1 3.35Å; P599-I603 PolarHBondContact O-N 3Å; L600-I603 PolarHBondContact O-N 2.81Å; A601-I603 PolarHBondContact O-N 2.71Å; I603-Q605 VanDerWaalsContact C-N 3.32Å; I603-Q605 PolarHBondContact O-N 3.01Å; I603-H606 PolarHBondContact O-N 2.99Å; I603-L607 HydrophobicContact CG2-CD1 4.11Å; I603-L607 WeakPolarHBondContact O-CG 3.47Å; I603-L607 PolarHBondContact O-N 2.82Å
604L87.3Confident83.9Confident0 Ų050.1 Ų50.10%028%0.28CS..Hα-helixtrans-62.6-40.2179.5-72.1172.1000111.5L581 C584 L600 A601 L607 A608 Y623 Y624 L627L581-L604 HydrophobicContact CD2-CD2 4.37Å; C584-L604 HydrophobicContact CB-CD2 3.96Å; L600-L604 HydrophobicContact CD1-CD1 4.26Å; L600-L604 HydrophobicContact CD1-CG 4.38Å; L600-L604 HydrophobicContact CG-CD1 4.05Å; L600-L604 WeakPolarHBondContact O-CG 3.24Å; L600-L604 PolarHBondContact O-N 2.85Å; A601-L604 PolarHBondContact O-N 2.81Å; L604-L607 PolarHBondContact O-N 3.27Å; L604-A608 VanDerWaalsContact O-CB 3.29Å; L604-A608 WeakPolarHBondContact O-CB 3.43Å; L604-A608 PolarHBondContact O-N 2.99Å; L604-Y623 HydrophobicContact CD2-CD2 4.31Å; L604-Y624 HydrophobicContact CB-CD2 4.24Å; L604-L627 HydrophobicContact CD1-CD2 4.35Å
605Q89.2Confident84.1Confident78 Ų7847.1 Ų47.136%0.36426%0.264SS..Hα-helixtrans-63.1-45.6175-170.3174.9-6.600110.9A601 I603 L607 A608 F609 Y624A601-Q605 WeakPolarHBondContact O-CB 3.32Å; A601-Q605 PolarHBondContact O-N 3.44Å; I603-Q605 VanDerWaalsContact C-N 3.32Å; I603-Q605 PolarHBondContact O-N 3.01Å; Q605-L607 PolarHBondContact O-N 2.59Å; Q605-A608 WeakPolarHBondContact O-CB 3.32Å; Q605-A608 PolarHBondContact O-N 3.43Å; Q605-F609 HydrophobicContact CG-CD2 3.8Å; Q605-F609 HydrophobicContact CG-CE2 3.61Å; Q605-F609 WeakPolarHBondContact O-CD2 3.39Å; Q605-F609 PolarHBondContact O-N 3.31Å; Q605-Y624 HydrophobicContact CB-CD2 4.1Å; Q605-Y624 HydrophobicContact CB-CE2 3.87Å; Q605-Y624 HydrophobicContact CG-CE2 4.42Å
606H85.5Confident84.3Confident47 Ų4744.3 Ų44.322%0.21824%0.244CC..Hα-helixtrans-64-41.4179.6-164.955.1000112.1V561 D602 I603 F609 H610V561-H606 WeakPolarHBondContact CG1-CD2 3.37Å; V561-H606 PolarHBondContact O-NE2 3.19Å; D602-H606 WeakPolarHBondContact O-CB 3.45Å; D602-H606 PolarHBondContact O-N 3.38Å; I603-H606 PolarHBondContact O-N 2.99Å; H606-F609 PolarHBondContact O-N 3.01Å; H606-H610 AromaticContact CE1-CD2 3.44Å; H606-H610 PolarHBondContact CE1-CD2 3.06Å; H606-H610 VanDerWaalsContact CE1-CD2 3.44Å; H606-H610 AromaticContact CE1-CG 3.87Å; H606-H610 AromaticContact CE1-NE2 3.95Å; H606-H610 AromaticContact ND1-CD2 3.11Å; H606-H610 PolarHBondContact ND1-CD2 2.71Å; H606-H610 AromaticContact ND1-CG 3.94Å; H606-H610 AromaticContact ND1-NE2 3.68Å; H606-H610 WeakPolarHBondContact O-CB 3.28Å; H606-H610 PolarHBondContact O-CD2 2.74Å; H606-H610 PolarHBondContact O-N 3.31Å
607L85.4Confident84.4Confident1 Ų147.5 Ų47.51%0.00526%0.256CS..Hα-helixtrans-61.6-43.8173.3-71.5172.7000112.2V561 L580 I603 L604 Q605 F609 Y611 R617 A620V561-L607 HydrophobicContact CG1-CD2 3.71Å; V561-L607 HydrophobicContact CG1-CG 4.18Å; V561-L607 HydrophobicContact CG2-CD2 4.06Å; V561-L607 HydrophobicContact CG2-CG 4.45Å; L580-L607 HydrophobicContact CB-CD1 4.47Å; L580-L607 HydrophobicContact CD1-CD2 4.14Å; I603-L607 HydrophobicContact CG2-CD1 4.11Å; I603-L607 WeakPolarHBondContact O-CG 3.47Å; I603-L607 PolarHBondContact O-N 2.82Å; L604-L607 PolarHBondContact O-N 3.27Å; Q605-L607 PolarHBondContact O-N 2.59Å; L607-F609 VanDerWaalsContact C-N 3.26Å; L607-F609 PolarHBondContact O-N 2.97Å; L607-Y611 HydrophobicContact CD2-CD2 3.89Å; L607-Y611 VanDerWaalsContact O-CB 3.26Å; L607-Y611 WeakPolarHBondContact O-CB 3.44Å; L607-Y611 PolarHBondContact O-N 3.38Å; L607-R617 WeakPolarHBondContact O-CG 3.48Å; L607-A620 HydrophobicContact CB-CB 3.82Å
608A85.9Confident84.5Confident4 Ų448.6 Ų48.63%0.03326%0.262CS..Hα-helixtrans-60.9-29.1179.800000114.6L604 Q605 R617 A620 R621L604-A608 VanDerWaalsContact O-CB 3.29Å; L604-A608 WeakPolarHBondContact O-CB 3.43Å; L604-A608 PolarHBondContact O-N 2.99Å; Q605-A608 WeakPolarHBondContact O-CB 3.32Å; Q605-A608 PolarHBondContact O-N 3.43Å; A608-R617 WeakPolarHBondContact O-CD 3.29Å; A608-A620 HydrophobicContact CB-CB 4.12Å; A608-R621 HydrophobicContact CB-CG 3.5Å; A608-R621 VanDerWaalsContact CB-CG 3.5Å; A608-R621 PolarHBondContact O-NE 3.32Å; A608-R621 PolarHBondContact O-NH2 3.5Å
609F83.8Confident84.4Confident130 Ų13046.4 Ų46.457%0.5725%0.246SC*.Hα-helixtrans-98.1-35.4-178.2-73.9-67.2000113.7Q605 H606 L607Q605-F609 HydrophobicContact CG-CD2 3.8Å; Q605-F609 HydrophobicContact CG-CE2 3.61Å; Q605-F609 WeakPolarHBondContact O-CD2 3.39Å; Q605-F609 PolarHBondContact O-N 3.31Å; H606-F609 PolarHBondContact O-N 3.01Å; L607-F609 VanDerWaalsContact C-N 3.26Å; L607-F609 PolarHBondContact O-N 2.97Å
610H80.5Confident84.5Confident115 Ų11543.7 Ų43.753%0.53223%0.228SC..Hα-helixtrans-113.3-12.5-165-62-80.3000115.5C569 H606C569-H610 WeakPolarHBondContact CB-O 3.31Å; H606-H610 AromaticContact CE1-CD2 3.44Å; H606-H610 PolarHBondContact CE1-CD2 3.06Å; H606-H610 VanDerWaalsContact CE1-CD2 3.44Å; H606-H610 AromaticContact CE1-CG 3.87Å; H606-H610 AromaticContact CE1-NE2 3.95Å; H606-H610 AromaticContact ND1-CD2 3.11Å; H606-H610 PolarHBondContact ND1-CD2 2.71Å; H606-H610 AromaticContact ND1-CG 3.94Å; H606-H610 AromaticContact ND1-NE2 3.68Å; H606-H610 WeakPolarHBondContact O-CB 3.28Å; H606-H610 PolarHBondContact O-CD2 2.74Å; H606-H610 PolarHBondContact O-N 3.31Å
611Y82.1Confident84.5Confident5 Ų548.6 Ų48.62%0.0225%0.246CC..  trans-74.9138.4-178.7-155.4-95.8000112.3D573 G577 L607 D613 I616 R617D573-Y611 PolarHBondContact O-OH 3.29Å; G577-Y611 WeakPolarHBondContact CA-OH 3.43Å; G577-Y611 PolarHBondContact N-OH 3.49Å; L607-Y611 HydrophobicContact CD2-CD2 3.89Å; L607-Y611 VanDerWaalsContact O-CB 3.26Å; L607-Y611 WeakPolarHBondContact O-CB 3.44Å; L607-Y611 PolarHBondContact O-N 3.38Å; Y611-D613 HydrophobicContact CD1-CB 3.83Å; Y611-D613 HydrophobicContact CE1-CB 3.78Å; Y611-I616 HydrophobicContact CD1-CB 3.64Å; Y611-I616 HydrophobicContact CD1-CG1 4.12Å; Y611-I616 HydrophobicContact CD1-CG2 3.6Å; Y611-I616 HydrophobicContact CE1-CB 3.87Å; Y611-I616 HydrophobicContact CE1-CG1 3.82Å; Y611-I616 HydrophobicContact CE1-CG2 3.85Å; Y611-I616 HydrophobicContact CG-CB 4.46Å; Y611-I616 HydrophobicContact CG-CG2 3.98Å; Y611-R617 WeakPolarHBondContact O-CD 3.36Å; Y611-R617 WeakPolarHBondContact O-CG 3.47Å; Y611-R617 PolarHBondContact O-NE 2.79Å; Y611-R617 VanDerWaalsContact O-NE 3.11Å
612G78.9Confident84.5Confident44 Ų4452.5 Ų52.545%0.45427%0.266SS..SBendtrans-69.9-33.2-172.700000114.3C569C569-G612 VanDerWaalsContact O-CA 3.25Å; C569-G612 WeakPolarHBondContact O-CA 3.49Å; C569-G612 PolarHBondContact O-N 3.06Å
613D83.3Confident84.4Confident38 Ų3848.7 Ų48.720%0.20325%0.245CC..  trans-77.9137.3177.8-173.8-87.2000111.8Y611 D615 I616 R617Y611-D613 HydrophobicContact CD1-CB 3.83Å; Y611-D613 HydrophobicContact CE1-CB 3.78Å; D613-D615 WeakPolarHBondContact OD1-CA 3.36Å; D613-D615 WeakPolarHBondContact OD1-CB 3.32Å; D613-D615 PolarHBondContact OD1-N 3.44Å; D613-I616 HydrophobicContact CB-CB 4.35Å; D613-I616 HydrophobicContact CB-CG1 4.07Å; D613-I616 PolarHBondContact OD1-N 3.18Å; D613-R617 WeakPolarHBondContact O-CG 3.48Å; D613-R617 PolarHBondContact O-N 3.07Å; D613-R617 PolarHBondContact O-NE 3.49Å
614T83Confident84.4Confident86 Ų8652 Ų5253%0.52826%0.257SS..Hα-helixtrans-73.4-38.1-179.344.60000112.8R617 D618T614-R617 VanDerWaalsContact CG2-NH2 3.27Å; T614-R617 PolarHBondContact O-N 3.44Å; T614-D618 PolarHBondContact O-N 3.13Å
615D82.3Confident84.3Confident59 Ų5955.6 Ų55.632%0.31628%0.279SS..Hα-helixtrans-66.1-46.7-176.4-174.328.8000110.4W574 D613 R617 D618 H619W574-D615 PolarHBondContact NE1-OD2 3.46Å; D613-D615 WeakPolarHBondContact OD1-CA 3.36Å; D613-D615 WeakPolarHBondContact OD1-CB 3.32Å; D613-D615 PolarHBondContact OD1-N 3.44Å; D615-R617 VanDerWaalsContact C-N 3.31Å; D615-R617 PolarHBondContact O-N 2.91Å; D615-D618 PolarHBondContact O-N 3.31Å; D615-H619 WeakPolarHBondContact O-CB 3.46Å; D615-H619 PolarHBondContact O-N 2.71Å; D615-H619 PolarHBondContact O-ND1 3.46Å; D615-H619 IonicContact OD1-CE1 3.87Å; D615-H619 PolarHBondContact OD1-CE1 3.28Å; D615-H619 IonicContact OD1-ND1 3.87Å; D615-H619 PolarHBondContact OD1-ND1 3.33Å
616I82.9Confident84.1Confident0 Ų053.3 Ų53.30%027%0.269CS..Hα-helixtrans-61.6-38.9175.8-57.3-56.5000111.7L581 Y611 D613 A620L581-I616 HydrophobicContact CD1-CB 4.38Å; L581-I616 HydrophobicContact CD1-CD1 3.83Å; L581-I616 HydrophobicContact CD1-CG2 3.93Å; L581-I616 HydrophobicContact CG-CG2 4.29Å; Y611-I616 HydrophobicContact CD1-CB 3.64Å; Y611-I616 HydrophobicContact CD1-CG1 4.12Å; Y611-I616 HydrophobicContact CD1-CG2 3.6Å; Y611-I616 HydrophobicContact CE1-CB 3.87Å; Y611-I616 HydrophobicContact CE1-CG1 3.82Å; Y611-I616 HydrophobicContact CE1-CG2 3.85Å; Y611-I616 HydrophobicContact CG-CB 4.46Å; Y611-I616 HydrophobicContact CG-CG2 3.98Å; D613-I616 HydrophobicContact CB-CB 4.35Å; D613-I616 HydrophobicContact CB-CG1 4.07Å; D613-I616 PolarHBondContact OD1-N 3.18Å; I616-A620 VanDerWaalsContact O-CB 3.3Å; I616-A620 WeakPolarHBondContact O-CB 3.42Å; I616-A620 PolarHBondContact O-N 3.26Å
617R85.3Confident84Confident68 Ų6851.5 Ų51.526%0.25726%0.261SS..Hα-helixtrans-64.7-45177.5-81.8-171.6-70.6166.9-0.8112.4L607 A608 Y611 D613 T614 D615 A620 R621L607-R617 WeakPolarHBondContact O-CG 3.48Å; A608-R617 WeakPolarHBondContact O-CD 3.29Å; Y611-R617 WeakPolarHBondContact O-CD 3.36Å; Y611-R617 WeakPolarHBondContact O-CG 3.47Å; Y611-R617 PolarHBondContact O-NE 2.79Å; Y611-R617 VanDerWaalsContact O-NE 3.11Å; D613-R617 WeakPolarHBondContact O-CG 3.48Å; D613-R617 PolarHBondContact O-N 3.07Å; D613-R617 PolarHBondContact O-NE 3.49Å; T614-R617 VanDerWaalsContact CG2-NH2 3.27Å; T614-R617 PolarHBondContact O-N 3.44Å; D615-R617 VanDerWaalsContact C-N 3.31Å; D615-R617 PolarHBondContact O-N 2.91Å; R617-A620 PolarHBondContact O-N 3.46Å; R617-R621 VanDerWaalsContact O-CG 3.3Å; R617-R621 WeakPolarHBondContact O-CG 3.18Å; R617-R621 PolarHBondContact O-N 3.35Å
618D84.9Confident83.8Confident87 Ų8754.9 Ų54.947%0.46528%0.282SS..Hα-helixtrans-70.3-37.9-178.1-71.1-23000111.4T614 D615 R621 L622T614-D618 PolarHBondContact O-N 3.13Å; D615-D618 PolarHBondContact O-N 3.31Å; D618-R621 WeakPolarHBondContact O-CB 3.19Å; D618-R621 PolarHBondContact O-N 2.92Å; D618-R621 IonicContact OD1-CZ 3.08Å; D618-R621 IonicContact OD1-NH1 3.21Å; D618-R621 PolarHBondContact OD1-NH1 2.87Å; D618-L622 PolarHBondContact O-N 3.25Å
619H81.9Confident83.6Confident51 Ų5161.7 Ų61.724%0.23632%0.315CS..Hα-helixtrans-64.6-40.8171.3-76.389.7000112.8L581 D615 R621 L622 Y623L581-H619 HydrophobicContact CD1-CB 3.58Å; D615-H619 WeakPolarHBondContact O-CB 3.46Å; D615-H619 PolarHBondContact O-N 2.71Å; D615-H619 PolarHBondContact O-ND1 3.46Å; D615-H619 IonicContact OD1-CE1 3.87Å; D615-H619 PolarHBondContact OD1-CE1 3.28Å; D615-H619 IonicContact OD1-ND1 3.87Å; D615-H619 PolarHBondContact OD1-ND1 3.33Å; H619-R621 VanDerWaalsContact C-N 3.33Å; H619-R621 PolarHBondContact O-N 3.46Å; H619-L622 WeakPolarHBondContact O-CB 3.27Å; H619-L622 PolarHBondContact O-N 3.2Å; H619-Y623 PolarHBondContact O-N 3.28Å
620A86.3Confident83.4Confident0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-61.8-40.2174.400000112L581 L607 A608 I616 R617 Y623 Y624L581-A620 HydrophobicContact CD2-CB 4.07Å; L607-A620 HydrophobicContact CB-CB 3.82Å; A608-A620 HydrophobicContact CB-CB 4.12Å; I616-A620 VanDerWaalsContact O-CB 3.3Å; I616-A620 WeakPolarHBondContact O-CB 3.42Å; I616-A620 PolarHBondContact O-N 3.26Å; R617-A620 PolarHBondContact O-N 3.46Å; A620-Y623 PolarHBondContact O-N 3.42Å; A620-Y624 WeakPolarHBondContact O-CB 3.48Å; A620-Y624 PolarHBondContact O-N 3Å
621R87.1Confident83.3Confident103 Ų10355.7 Ų55.739%0.38930%0.297SS..Hα-helixtrans-64-42.1173.8-70.8170.6-171.5161.3-2.9112.1A608 R617 D618 H619 Y624 T625A608-R621 HydrophobicContact CB-CG 3.5Å; A608-R621 VanDerWaalsContact CB-CG 3.5Å; A608-R621 PolarHBondContact O-NE 3.32Å; A608-R621 PolarHBondContact O-NH2 3.5Å; R617-R621 VanDerWaalsContact O-CG 3.3Å; R617-R621 WeakPolarHBondContact O-CG 3.18Å; R617-R621 PolarHBondContact O-N 3.35Å; D618-R621 WeakPolarHBondContact O-CB 3.19Å; D618-R621 PolarHBondContact O-N 2.92Å; D618-R621 IonicContact OD1-CZ 3.08Å; D618-R621 IonicContact OD1-NH1 3.21Å; D618-R621 PolarHBondContact OD1-NH1 2.87Å; H619-R621 VanDerWaalsContact C-N 3.33Å; H619-R621 PolarHBondContact O-N 3.46Å; R621-Y624 PolarHBondContact O-N 3.15Å; R621-T625 WeakPolarHBondContact O-CB 3.1Å; R621-T625 PolarHBondContact O-N 3.17Å; R621-T625 PolarHBondContact O-OG1 3Å
622L85.9Confident83Confident93 Ų9360 Ų6049%0.48731%0.313SS..Hα-helixtrans-58.5-54.2175.8-174.988.8000109.9D618 H619 Y624 T625 L626D618-L622 PolarHBondContact O-N 3.25Å; H619-L622 WeakPolarHBondContact O-CB 3.27Å; H619-L622 PolarHBondContact O-N 3.2Å; L622-Y624 VanDerWaalsContact C-N 3.34Å; L622-Y624 PolarHBondContact O-N 3.4Å; L622-T625 WeakPolarHBondContact O-CB 3.17Å; L622-T625 PolarHBondContact O-N 3.31Å; L622-T625 VanDerWaalsContact O-N 3.1Å; L622-L626 HydrophobicContact CD2-CD1 4.31Å; L622-L626 HydrophobicContact CG-CD1 4.18Å; L622-L626 HydrophobicContact CG-CG 4.5Å; L622-L626 VanDerWaalsContact O-CG 3.32Å; L622-L626 WeakPolarHBondContact O-CG 3.35Å; L622-L626 PolarHBondContact O-N 3.12Å
623Y84.9Confident82.6Confident11 Ų1165.5 Ų65.54%0.04333%0.327CS..Hα-helixtrans-60.1-40.4179.1-70.9-14.1000113L581 R585 L588 L604 H619 A620 T625 L626 L627 L639L581-Y623 HydrophobicContact CB-CE2 4.13Å; L581-Y623 HydrophobicContact CD2-CD2 3.92Å; L581-Y623 HydrophobicContact CD2-CE2 4.12Å; R585-Y623 HydrophobicContact CB-CE2 4.23Å; L588-Y623 HydrophobicContact CD1-CD1 4.24Å; L588-Y623 HydrophobicContact CD1-CD2 4.47Å; L588-Y623 HydrophobicContact CD1-CG 3.97Å; L604-Y623 HydrophobicContact CD2-CD2 4.31Å; H619-Y623 PolarHBondContact O-N 3.28Å; A620-Y623 PolarHBondContact O-N 3.42Å; Y623-T625 VanDerWaalsContact C-N 3.34Å; Y623-T625 PolarHBondContact O-N 2.92Å; Y623-L626 HydrophobicContact CD1-CD1 4.24Å; Y623-L626 PolarHBondContact O-N 3.42Å; Y623-L627 WeakPolarHBondContact O-CB 3.32Å; Y623-L627 PolarHBondContact O-N 2.91Å; Y623-L639 HydrophobicContact CE1-CD2 4.36Å
624Y86.2Confident82.2Confident73 Ų7370 Ų7029%0.28635%0.345SS..Hα-helixtrans-62.2-41173.7-177.1-92.6000112.3A601 L604 Q605 A620 R621 L622 L627 T628A601-Y624 HydrophobicContact CB-CD2 4.3Å; A601-Y624 HydrophobicContact CB-CE2 3.92Å; A601-Y624 WeakPolarHBondContact O-CD2 3.23Å; A601-Y624 WeakPolarHBondContact O-CE2 3.5Å; L604-Y624 HydrophobicContact CB-CD2 4.24Å; Q605-Y624 HydrophobicContact CB-CD2 4.1Å; Q605-Y624 HydrophobicContact CB-CE2 3.87Å; Q605-Y624 HydrophobicContact CG-CE2 4.42Å; A620-Y624 WeakPolarHBondContact O-CB 3.48Å; A620-Y624 PolarHBondContact O-N 3Å; R621-Y624 PolarHBondContact O-N 3.15Å; L622-Y624 VanDerWaalsContact C-N 3.34Å; L622-Y624 PolarHBondContact O-N 3.4Å; Y624-L627 PolarHBondContact O-N 3.38Å; Y624-T628 HydrophobicContact CE1-CG2 4.15Å; Y624-T628 WeakPolarHBondContact O-CG2 3.32Å; Y624-T628 PolarHBondContact O-N 3.08Å; Y624-T628 VanDerWaalsContact O-N 3.13Å; Y624-T628 PolarHBondContact O-OG1 2.65Å
625T84.5Confident81.9Confident74 Ų7466 Ų6645%0.45432%0.32SS..Hα-helixtrans-68-41.4177.7-53.20000111R621 L622 Y623 T628 M629R621-T625 WeakPolarHBondContact O-CB 3.1Å; R621-T625 PolarHBondContact O-N 3.17Å; R621-T625 PolarHBondContact O-OG1 3Å; L622-T625 WeakPolarHBondContact O-CB 3.17Å; L622-T625 PolarHBondContact O-N 3.31Å; L622-T625 VanDerWaalsContact O-N 3.1Å; Y623-T625 VanDerWaalsContact C-N 3.34Å; Y623-T625 PolarHBondContact O-N 2.92Å; T625-T628 PolarHBondContact O-N 3.24Å; T625-T628 PolarHBondContact O-OG1 2.9Å; T625-M629 HydrophobicContact CG2-CG 4.01Å; T625-M629 WeakPolarHBondContact O-CB 3.39Å; T625-M629 VanDerWaalsContact O-CG 3.25Å; T625-M629 WeakPolarHBondContact O-CG 3.27Å; T625-M629 PolarHBondContact O-N 3.27Å
626L84.6Confident81.2Confident30 Ų3065.4 Ų65.416%0.15732%0.321CS..Hα-helixtrans-62.9-42.8176-66.4173.6000111.4L622 Y623 T628 L630 L639L622-L626 HydrophobicContact CD2-CD1 4.31Å; L622-L626 HydrophobicContact CG-CD1 4.18Å; L622-L626 HydrophobicContact CG-CG 4.5Å; L622-L626 VanDerWaalsContact O-CG 3.32Å; L622-L626 WeakPolarHBondContact O-CG 3.35Å; L622-L626 PolarHBondContact O-N 3.12Å; Y623-L626 HydrophobicContact CD1-CD1 4.24Å; Y623-L626 PolarHBondContact O-N 3.42Å; L626-T628 VanDerWaalsContact C-N 3.32Å; L626-T628 PolarHBondContact O-N 3.03Å; L626-L630 HydrophobicContact CB-CD1 4.38Å; L626-L630 HydrophobicContact CD2-CD1 3.4Å; L626-L630 VanDerWaalsContact CD2-CD1 3.4Å; L626-L630 HydrophobicContact CD2-CG 4.29Å; L626-L630 HydrophobicContact CG-CD1 4.46Å; L626-L630 WeakPolarHBondContact O-CB 3.42Å; L626-L630 PolarHBondContact O-N 3.38Å; L626-L630 VanDerWaalsContact O-N 3.12Å; L626-L639 HydrophobicContact CD1-CD2 4.43Å
627L83.8Confident80.5Confident10 Ų1068 Ų685%0.05234%0.342CS..Hα-helixtrans-61.9-37.4178-179.259.8000112.9L588 L593 L597 L600 A601 L604 Y623 Y624L588-L627 HydrophobicContact CD2-CB 3.96Å; L588-L627 HydrophobicContact CD2-CD1 3.72Å; L588-L627 HydrophobicContact CD2-CD2 4.34Å; L588-L627 HydrophobicContact CD2-CG 4.21Å; L593-L627 HydrophobicContact CD1-CD1 4Å; L593-L627 HydrophobicContact CD2-CD1 3.95Å; L593-L627 HydrophobicContact CG-CD1 4.24Å; L597-L627 HydrophobicContact CD1-CD1 4.32Å; L597-L627 HydrophobicContact CG-CD1 4Å; L597-L627 HydrophobicContact CG-CD2 4.44Å; L597-L627 HydrophobicContact CG-CG 4.23Å; L600-L627 HydrophobicContact CB-CD2 4.4Å; L600-L627 HydrophobicContact CD2-CD2 4.1Å; L600-L627 HydrophobicContact CG-CD2 4.12Å; A601-L627 HydrophobicContact CB-CD2 3.95Å; L604-L627 HydrophobicContact CD1-CD2 4.35Å; Y623-L627 WeakPolarHBondContact O-CB 3.32Å; Y623-L627 PolarHBondContact O-N 2.91Å; Y624-L627 PolarHBondContact O-N 3.38Å
628T82.8Confident79.8Confident72 Ų7268 Ų6844%0.44235%0.349SS..Hα-helixtrans-87.8-26.3-175.749.30000113.6Y624 T625 L626Y624-T628 HydrophobicContact CE1-CG2 4.15Å; Y624-T628 WeakPolarHBondContact O-CG2 3.32Å; Y624-T628 PolarHBondContact O-N 3.08Å; Y624-T628 VanDerWaalsContact O-N 3.13Å; Y624-T628 PolarHBondContact O-OG1 2.65Å; T625-T628 PolarHBondContact O-N 3.24Å; T625-T628 PolarHBondContact O-OG1 2.9Å; L626-T628 VanDerWaalsContact C-N 3.32Å; L626-T628 PolarHBondContact O-N 3.03Å
629M79.9Confident78.9Confident146 Ų14664.3 Ų64.372%0.71933%0.33SS*.Hα-helixtrans-108.3-20.5-170.1-60.6-59.5-62.900115T625T625-M629 HydrophobicContact CG2-CG 4.01Å; T625-M629 WeakPolarHBondContact O-CB 3.39Å; T625-M629 VanDerWaalsContact O-CG 3.25Å; T625-M629 WeakPolarHBondContact O-CG 3.27Å; T625-M629 PolarHBondContact O-N 3.27Å
630L79.8Confident77.9Confident60 Ų6064.9 Ų64.931%0.31434%0.337SS..SBendtrans-106.7148.2-175.7-62.3-178.2000112.9L626 K634 L635 V638L626-L630 HydrophobicContact CB-CD1 4.38Å; L626-L630 HydrophobicContact CD2-CD1 3.4Å; L626-L630 VanDerWaalsContact CD2-CD1 3.4Å; L626-L630 HydrophobicContact CD2-CG 4.29Å; L626-L630 HydrophobicContact CG-CD1 4.46Å; L626-L630 WeakPolarHBondContact O-CB 3.42Å; L626-L630 PolarHBondContact O-N 3.38Å; L626-L630 VanDerWaalsContact O-N 3.12Å; L630-K634 HydrophobicContact CB-CB 4.46Å; L630-L635 HydrophobicContact CB-CB 4.41Å; L630-V638 HydrophobicContact CD1-CG2 4.45Å
631S79.4Confident76.2Confident59 Ų5968.4 Ų68.441%0.41335%0.353SS..  trans-73153.7165.662.70000110.3E633 K634 L635S631-E633 VanDerWaalsContact C-N 3.32Å; S631-E633 PolarHBondContact O-N 3.05Å; S631-K634 PolarHBondContact O-N 2.9Å; S631-K634 WeakPolarHBondContact OG-CG 3.31Å; S631-L635 WeakPolarHBondContact O-CB 3.38Å; S631-L635 PolarHBondContact O-N 3.47Å
632R74.4Confident74.1Confident96 Ų9664.2 Ų64.236%0.36234%0.34SS..Hα-helixtrans-51.9-46.2-178.1-174.3-172.7-63.5-165.7-2.8113.6P591 D594 K634 L635 S636P591-R632 PolarHBondContact O-NH1 3.33Å; P591-R632 PolarHBondContact O-NH2 3.25Å; D594-R632 IonicContact OD1-CZ 3.65Å; D594-R632 IonicContact OD1-NH2 3.18Å; D594-R632 PolarHBondContact OD1-NH2 2.89Å; D594-R632 IonicContact OD2-CZ 2.76Å; D594-R632 IonicContact OD2-NH2 3.75Å; D594-R632 PolarHBondContact OD2-NH2 2.84Å; R632-K634 VanDerWaalsContact C-N 3.28Å; R632-K634 PolarHBondContact O-N 2.97Å; R632-L635 WeakPolarHBondContact O-CB 3.48Å; R632-L635 PolarHBondContact O-N 3.27Å; R632-L635 VanDerWaalsContact O-N 3.13Å; R632-S636 PolarHBondContact O-N 2.96Å; R632-S636 PolarHBondContact O-OG 3.33Å
633E72.2Confident71.8Confident159 Ų15964.1 Ų64.174%0.74335%0.352SS*.Hα-helixtrans-61.2-36.3179.2-63.9172-177.500112.5S631 S636 A637S631-E633 VanDerWaalsContact C-N 3.32Å; S631-E633 PolarHBondContact O-N 3.05Å; E633-S636 PolarHBondContact O-OG 3.46Å; E633-S636 VanDerWaalsContact O-OG 3.11Å; E633-A637 WeakPolarHBondContact O-CB 3.24Å; E633-A637 PolarHBondContact O-N 3.42Å; E633-A637 VanDerWaalsContact O-N 3.12Å
634K74.8Confident69.2Low132 Ų13265.7 Ų65.757%0.57437%0.367SS*.Hα-helixtrans-75.9-34176-68.5179.2-179.2178.10111.2L630 S631 R632 V638L630-K634 HydrophobicContact CB-CB 4.46Å; S631-K634 PolarHBondContact O-N 2.9Å; S631-K634 WeakPolarHBondContact OG-CG 3.31Å; R632-K634 VanDerWaalsContact C-N 3.28Å; R632-K634 PolarHBondContact O-N 2.97Å; K634-V638 WeakPolarHBondContact O-CB 3.46Å; K634-V638 WeakPolarHBondContact O-CG2 3.38Å; K634-V638 PolarHBondContact O-N 3.38Å
635L75.3Confident66.7Low4 Ų469 Ų692%0.02139%0.385CS..Hα-helixtrans-67.4-47.6177.7-167.5161.7000110.5L588 L589 L593 L630 S631 R632 V638 L639L588-L635 HydrophobicContact CB-CD2 4.15Å; L588-L635 HydrophobicContact CD2-CD1 4.38Å; L588-L635 VanDerWaalsContact O-CD2 3.28Å; L588-L635 WeakPolarHBondContact O-CD2 3.46Å; L589-L635 HydrophobicContact CD2-CD2 4.48Å; L593-L635 HydrophobicContact CD2-CD1 4.39Å; L630-L635 HydrophobicContact CB-CB 4.41Å; S631-L635 WeakPolarHBondContact O-CB 3.38Å; S631-L635 PolarHBondContact O-N 3.47Å; R632-L635 WeakPolarHBondContact O-CB 3.48Å; R632-L635 PolarHBondContact O-N 3.27Å; R632-L635 VanDerWaalsContact O-N 3.13Å; L635-V638 PolarHBondContact O-N 3.02Å; L635-L639 HydrophobicContact CD2-CD1 3.4Å; L635-L639 HydrophobicContact CD2-CG 4.14Å; L635-L639 HydrophobicContact CG-CD1 4.29Å; L635-L639 WeakPolarHBondContact O-CB 3.37Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.42Å
636S68.4Low64.3Low46 Ų4669.7 Ų69.732%0.32241%0.407SS..Hα-helixtrans-62.9-42174.662.10000111.5R632 E633 V638 L639 V640R632-S636 PolarHBondContact O-N 2.96Å; R632-S636 PolarHBondContact O-OG 3.33Å; E633-S636 PolarHBondContact O-OG 3.46Å; E633-S636 VanDerWaalsContact O-OG 3.11Å; S636-V638 VanDerWaalsContact C-N 3.32Å; S636-V638 PolarHBondContact O-N 3.39Å; S636-L639 PolarHBondContact O-N 3.18Å; S636-V640 WeakPolarHBondContact O-CB 3.41Å; S636-V640 VanDerWaalsContact O-CG2 3.23Å; S636-V640 WeakPolarHBondContact O-CG2 3.22Å; S636-V640 PolarHBondContact O-N 3.47Å
637A68.3Low61.9Low53 Ų5372.2 Ų72.244%0.43844%0.44SS..Hα-helixtrans-58.4-42173.900000112.6E633 Q641E633-A637 WeakPolarHBondContact O-CB 3.24Å; E633-A637 PolarHBondContact O-N 3.42Å; E633-A637 VanDerWaalsContact O-N 3.12Å; A637-Q641 PolarHBondContact O-OE1 2.57Å
638V70.4Confident59.2Low69 Ų6976 Ų7642%0.41847%0.468SS..Hα-helixtrans-71.8-34.2179.6170.40000112.4L630 K634 L635 S636L630-V638 HydrophobicContact CD1-CG2 4.45Å; K634-V638 WeakPolarHBondContact O-CB 3.46Å; K634-V638 WeakPolarHBondContact O-CG2 3.38Å; K634-V638 PolarHBondContact O-N 3.38Å; L635-V638 PolarHBondContact O-N 3.02Å; S636-V638 VanDerWaalsContact C-N 3.32Å; S636-V638 PolarHBondContact O-N 3.39Å
639L66.9Low57.2Low10 Ų1079.9 Ų79.95%0.05248%0.481CS..Hα-helixtrans-97.5-31.4-172.2-70.1-174.4000115.2R585 L588 L589 Y623 L626 L635 S636R585-L639 PolarHBondContact NH2-O 3.13Å; L588-L639 HydrophobicContact CB-CD1 3.88Å; L588-L639 HydrophobicContact CD1-CD1 4.17Å; L589-L639 HydrophobicContact CD1-CB 4.29Å; L589-L639 HydrophobicContact CD2-CB 3.5Å; L589-L639 VanDerWaalsContact CD2-CB 3.5Å; L589-L639 HydrophobicContact CD2-CD1 4.1Å; L589-L639 HydrophobicContact CD2-CG 4.42Å; L589-L639 HydrophobicContact CG-CB 4.09Å; L589-L639 HydrophobicContact CG-CD1 4.23Å; Y623-L639 HydrophobicContact CE1-CD2 4.36Å; L626-L639 HydrophobicContact CD1-CD2 4.43Å; L635-L639 HydrophobicContact CD2-CD1 3.4Å; L635-L639 HydrophobicContact CD2-CG 4.14Å; L635-L639 HydrophobicContact CG-CD1 4.29Å; L635-L639 WeakPolarHBondContact O-CB 3.37Å; L635-L639 WeakPolarHBondContact O-CG 3.31Å; L635-L639 PolarHBondContact O-N 3.42Å; S636-L639 PolarHBondContact O-N 3.18Å
640V60.9Low55.2Low63 Ų6375.4 Ų75.438%0.38246%0.461SS..Hα-helixtrans-77.9-22.7-177.7174.40000112.6L589 S636 S642 A643 A644L589-V640 HydrophobicContact CD1-CG2 4.23Å; L589-V640 HydrophobicContact CD2-CG2 3.59Å; S636-V640 WeakPolarHBondContact O-CB 3.41Å; S636-V640 VanDerWaalsContact O-CG2 3.23Å; S636-V640 WeakPolarHBondContact O-CG2 3.22Å; S636-V640 PolarHBondContact O-N 3.47Å; V640-S642 PolarHBondContact O-N 2.96Å; V640-A643 PolarHBondContact O-N 3.46Å; V640-A643 VanDerWaalsContact O-N 3.09Å; V640-A644 HydrophobicContact CG1-CB 4.48Å
641Q49.7Very low53.2Low74 Ų7480.8 Ų80.835%0.34648%0.482SS..THydrogen-bonded Turntrans-63.810.2-175.9-142149.62.700115A637 K651A637-Q641 PolarHBondContact O-OE1 2.57Å; Q641-K651 PolarHBondContact NE2-O 3.04Å
642S42.8Very low51.3Low15 Ų1586.5 Ų86.511%0.10550%0.5CS..THydrogen-bonded Turntrans-109.3-14176.5-47.70000114.9R585 V640R585-S642 PolarHBondContact NH2-OG 3.31Å; V640-S642 PolarHBondContact O-N 2.96Å
643A38.8Very low50Low90 Ų9087.2 Ų87.274%0.74450%0.502SS*.THydrogen-bonded Turntrans-131.3-15.8-166.700000117.4V640V640-A643 PolarHBondContact O-N 3.46Å; V640-A643 VanDerWaalsContact O-N 3.09Å
644A29.7Very low48.6Very low44 Ų4483.6 Ų83.636%0.36449%0.491SS..  trans-89.7126.6-175.100000113.5V640V640-A644 HydrophobicContact CG1-CB 4.48Å
645E33.5Very low46.9Very low143 Ų14385 Ų8567%0.66850%0.504SS*.  trans80.296.1145.3-65.5169.2-16800118.4G647E645-G647 PolarHBondContact O-N 2.74Å
646G34.5Very low45.3Very low89 Ų8987.1 Ų87.192%0.91852%0.519SS*.THydrogen-bonded Turntrans-55124.6142.200000109.1
647G32.9Very low44Very low82 Ų8286.4 Ų86.485%0.84551%0.514SS*.THydrogen-bonded Turntrans99.328.7166.200000117.6E645E645-G647 PolarHBondContact O-N 2.74Å
648S27.4Very low42.7Very low90 Ų9089.5 Ų89.563%0.62953%0.527SS*.SBendtrans-164.5138.4149.3-160.20000110.8V650S648-V650 VanDerWaalsContact O-CG2 3.28Å; S648-V650 WeakPolarHBondContact O-CG2 3.42Å; S648-V650 PolarHBondContact O-N 2.83Å
649Q41.4Very low41.6Very low154 Ų15487.2 Ų87.272%0.7251%0.512SS*.  trans-39.6103-172.1-63.8-168.8-16.500115.5
650V38.4Very low40.6Very low51 Ų5188.9 Ų88.931%0.30953%0.528SS..  trans-98.6103.4176.1-174.90000110.9S648 K652S648-V650 VanDerWaalsContact O-CG2 3.28Å; S648-V650 WeakPolarHBondContact O-CG2 3.42Å; S648-V650 PolarHBondContact O-N 2.83Å; V650-K652 PolarHBondContact O-N 3.28Å
651K37Very low39.8Very low174 Ų17490.9 Ų90.976%0.75753%0.533SS*.  trans-64126.6172.7-74.1173.9179.2169.40111.5Q641Q641-K651 PolarHBondContact NE2-O 3.04Å
652K39Very low39.7Very low178 Ų17888.8 Ų88.877%0.77453%0.526SS*.  trans60.193.9163.2-70-176.9176-178.10115.4V650V650-K652 PolarHBondContact O-N 3.28Å
653R46.9Very low39.8Very low111 Ų11195.2 Ų95.242%0.41955%0.554SS.*  trans-78121.3160.8-71.1177.5174.2161-3.5109.6D799R653-D799 PolarHBondContact NH1-O 2.97Å
654T42.5Very low40.3Very low83 Ų8392 Ų9251%0.50953%0.53SS..  trans-81.9157.2179.3-32.80000110.2S656T654-S656 PolarHBondContact O-N 3.08Å; T654-S656 PolarHBondContact O-OG 3.01Å
655L40.6Very low41.3Very low162 Ų16292.1 Ų92.185%0.84852%0.524SS*.G310 helixtrans-57.49.5-178.2-65.1166.2000116.3C657L655-C657 VanDerWaalsContact C-N 3.27Å; L655-C657 PolarHBondContact O-N 2.99Å
656S41.5Very low42.2Very low49 Ų4989.2 Ų89.234%0.34352%0.516SS..G310 helixtrans-76.7-4.5177.346.80000114.3T654 V658T654-S656 PolarHBondContact O-N 3.08Å; T654-S656 PolarHBondContact O-OG 3.01Å; S656-V658 PolarHBondContact O-N 2.95Å
657C41.7Very low43.2Very low31 Ų3188.9 Ų88.921%0.20949%0.493CS..G310 helixtrans-77.86176.5-72.90000114.8L655 M659 L665L655-C657 VanDerWaalsContact C-N 3.27Å; L655-C657 PolarHBondContact O-N 2.99Å; C657-M659 PolarHBondContact O-N 3.38Å; C657-L665 WeakPolarHBondContact O-CD1 3.45Å
658V41.1Very low44.1Very low117 Ų11787.3 Ų87.371%0.70947%0.468SS*.G310 helixtrans-75.61.5178-177.30000112.7S656 A660S656-V658 PolarHBondContact O-N 2.95Å; V658-A660 PolarHBondContact O-N 3.38Å
659M47.1Very low45.5Very low21 Ų2189.2 Ų89.210%0.10347%0.47CS..  trans-74122.3171.8-61.6-115.3111.200110.3N578 C657 E661 S662N578-M659 WeakPolarHBondContact OD1-CE 3.49Å; C657-M659 PolarHBondContact O-N 3.38Å; M659-E661 PolarHBondContact O-N 2.99Å; M659-S662 PolarHBondContact O-N 2.96Å; M659-S662 PolarHBondContact O-OG 3.04Å
660A46Very low46.7Very low46 Ų4685 Ų8538%0.3846%0.455SS..THydrogen-bonded Turntrans-69.9-2.7-170.600000116.5W574 V658W574-A660 HydrophobicContact CH2-CB 3.4Å; W574-A660 VanDerWaalsContact CH2-CB 3.4Å; W574-A660 HydrophobicContact CZ2-CB 4.24Å; W574-A660 HydrophobicContact CZ3-CB 4.23Å; V658-A660 PolarHBondContact O-N 3.38Å
661E43.7Very low48.6Very low105 Ų10587.2 Ų87.249%0.49146%0.464SS..THydrogen-bonded Turntrans-115.68.7179.6-60.9-154.914400113.9K537 M659K537-E661 WeakPolarHBondContact CE-OE1 3.33Å; K537-E661 WeakPolarHBondContact CE-OE2 3.06Å; K537-E661 IonicContact NZ-OE1 2.89Å; K537-E661 PolarHBondContact NZ-OE1 3.34Å; K537-E661 IonicContact NZ-OE2 2.7Å; M659-E661 PolarHBondContact O-N 2.99Å
662S47.2Very low50.6Low29 Ų2981.4 Ų81.420%0.20344%0.439CS..SBendtrans-81.8134.6171.969.30000110.7M659 G664 L665M659-S662 PolarHBondContact O-N 2.96Å; M659-S662 PolarHBondContact O-OG 3.04Å; S662-G664 PolarHBondContact O-N 3.07Å; S662-L665 WeakPolarHBondContact O-CB 3.35Å; S662-L665 PolarHBondContact O-N 3.38Å
663E44.9Very low52.7Low150 Ų15080.4 Ų80.470%0.70144%0.438SS*.Hα-helixtrans-53.9-21.2171.1-67.9-178.9164.400112.4L665 T666 N667E663-L665 VanDerWaalsContact C-N 3.35Å; E663-L665 PolarHBondContact O-N 3.01Å; E663-T666 WeakPolarHBondContact CA-OG1 3.45Å; E663-T666 PolarHBondContact O-N 3.36Å; E663-T666 PolarHBondContact O-OG1 2.97Å; E663-N667 WeakPolarHBondContact O-CB 3.49Å; E663-N667 PolarHBondContact O-N 3.47Å
664G49.9Very low54.4Low22 Ų2276.4 Ų76.423%0.22743%0.425CS..Hα-helixtrans-59.5-38169.100000113.8S662 N667 T668S662-G664 PolarHBondContact O-N 3.07Å; G664-N667 PolarHBondContact O-N 3.48Å; G664-T668 WeakPolarHBondContact O-CG2 3.29Å; G664-T668 PolarHBondContact O-N 3.06Å; G664-T668 PolarHBondContact O-OG1 3.43Å; G664-T668 VanDerWaalsContact O-OG1 3.08Å
665L49.7Very low55.9Low48 Ų4881.9 Ų81.925%0.25145%0.445SS..Hα-helixtrans-69.4-43.7178.6-159.7103.7000111C657 S662 E663 N667 T668 L669C657-L665 WeakPolarHBondContact O-CD1 3.45Å; S662-L665 WeakPolarHBondContact O-CB 3.35Å; S662-L665 PolarHBondContact O-N 3.38Å; E663-L665 VanDerWaalsContact C-N 3.35Å; E663-L665 PolarHBondContact O-N 3.01Å; L665-N667 VanDerWaalsContact C-N 3.33Å; L665-N667 PolarHBondContact O-N 3.34Å; L665-T668 VanDerWaalsContact CA-OG1 3.26Å; L665-T668 WeakPolarHBondContact CA-OG1 3.34Å; L665-T668 PolarHBondContact O-N 3.27Å; L665-T668 PolarHBondContact O-OG1 3.48Å; L665-L669 HydrophobicContact CD2-CD1 3.72Å; L665-L669 HydrophobicContact CG-CD1 4.14Å; L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 WeakPolarHBondContact O-CG 3.47Å; L665-L669 PolarHBondContact O-N 3.23Å
666T52.4Low57.7Low81 Ų8181.5 Ų81.550%0.49744%0.437SS..Hα-helixtrans-60.7-43.8173.139.40000111.1E663 T668 L669 T670E663-T666 WeakPolarHBondContact CA-OG1 3.45Å; E663-T666 PolarHBondContact O-N 3.36Å; E663-T666 PolarHBondContact O-OG1 2.97Å; T666-T668 VanDerWaalsContact C-N 3.32Å; T666-T668 PolarHBondContact O-N 2.81Å; T666-L669 PolarHBondContact O-N 3.22Å; T666-L669 VanDerWaalsContact O-N 3.16Å; T666-T670 VanDerWaalsContact O-CG2 3.31Å; T666-T670 WeakPolarHBondContact O-CG2 3.29Å; T666-T670 PolarHBondContact O-N 2.99Å; T666-T670 PolarHBondContact O-OG1 3.44Å
667N55.2Low59.6Low82 Ų8281.9 Ų81.944%0.43944%0.438SS..Hα-helixtrans-66.2-30.2176.8-75.2-12.7000113.4E663 G664 L665 T670 H672 L801E663-N667 WeakPolarHBondContact O-CB 3.49Å; E663-N667 PolarHBondContact O-N 3.47Å; G664-N667 PolarHBondContact O-N 3.48Å; L665-N667 VanDerWaalsContact C-N 3.33Å; L665-N667 PolarHBondContact O-N 3.34Å; N667-T670 WeakPolarHBondContact CA-OG1 3.41Å; N667-T670 PolarHBondContact O-OG1 3.37Å; N667-T670 VanDerWaalsContact O-OG1 3.09Å; N667-H672 PolarHBondContact O-NE2 3.42Å; N667-L801 HydrophobicContact CB-CD2 4.48Å
668T52.9Low61.6Low50 Ų5081.3 Ų81.331%0.30743%0.433SS..Hα-helixtrans-77-28.1172.649.60000113.5G664 L665 T666G664-T668 WeakPolarHBondContact O-CG2 3.29Å; G664-T668 PolarHBondContact O-N 3.06Å; G664-T668 PolarHBondContact O-OG1 3.43Å; G664-T668 VanDerWaalsContact O-OG1 3.08Å; L665-T668 VanDerWaalsContact CA-OG1 3.26Å; L665-T668 WeakPolarHBondContact CA-OG1 3.34Å; L665-T668 PolarHBondContact O-N 3.27Å; L665-T668 PolarHBondContact O-OG1 3.48Å; T666-T668 VanDerWaalsContact C-N 3.32Å; T666-T668 PolarHBondContact O-N 2.81Å
669L56.8Low63.7Low130 Ų13075.7 Ų75.768%0.68140%0.399SS*.Hα-helixtrans-84.4-20178.2-68.8172.9000112.6L665 T666L665-L669 HydrophobicContact CD2-CD1 3.72Å; L665-L669 HydrophobicContact CG-CD1 4.14Å; L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 WeakPolarHBondContact O-CG 3.47Å; L665-L669 PolarHBondContact O-N 3.23Å; T666-L669 PolarHBondContact O-N 3.22Å; T666-L669 VanDerWaalsContact O-N 3.16Å
670T66Low65.5Low65 Ų6577.3 Ų77.340%0.39941%0.406SS..SBendtrans-83.9130.1173.453.10000110.6T666 N667 H672T666-T670 VanDerWaalsContact O-CG2 3.31Å; T666-T670 WeakPolarHBondContact O-CG2 3.29Å; T666-T670 PolarHBondContact O-N 2.99Å; T666-T670 PolarHBondContact O-OG1 3.44Å; N667-T670 WeakPolarHBondContact CA-OG1 3.41Å; N667-T670 PolarHBondContact O-OG1 3.37Å; N667-T670 VanDerWaalsContact O-OG1 3.09Å; T670-H672 PolarHBondContact O-CD2 3.41Å; T670-H672 PolarHBondContact O-N 2.94Å; T670-H672 PolarHBondContact O-NE2 3.1Å; T670-H672 PolarHBondContact OG1-NE2 3.37Å
671I77.8Confident67.3Low97 Ų9776.3 Ų76.350%0.49739%0.394SS..  trans-77.9115.2171.2-61.1171.7000107.7T802 H804I671-T802 HydrophobicContact CG1-CG2 4.33Å; I671-H804 HydrophobicContact CG2-CB 3.44Å; I671-H804 VanDerWaalsContact CG2-CB 3.44Å
672H79.8Confident69.2Low52 Ų5273.3 Ų73.324%0.24138%0.383CS..EExtended strand (participates in β ladder)trans-83.6136.5178.1-62.8-88.2000110.2N667 T670 T802 W803 H804N667-H672 PolarHBondContact O-NE2 3.42Å; T670-H672 PolarHBondContact O-CD2 3.41Å; T670-H672 PolarHBondContact O-N 2.94Å; T670-H672 PolarHBondContact O-NE2 3.1Å; T670-H672 PolarHBondContact OG1-NE2 3.37Å; H672-T802 PolarHBondContact N-O 2.89Å; H672-W803 HydrophobicContact CB-CD2 3.86Å; H672-W803 HydrophobicContact CB-CE3 3.4Å; H672-W803 VanDerWaalsContact CB-CE3 3.4Å; H672-W803 HydrophobicContact CB-CH2 4.06Å; H672-W803 HydrophobicContact CB-CZ2 4.45Å; H672-W803 HydrophobicContact CB-CZ3 3.52Å; H672-W803 CarbonylContact O-C 3.4Å; H672-W803 VanDerWaalsContact O-CA 3.29Å; H672-W803 WeakPolarHBondContact O-CA 3.28Å; H672-H804 PolarHBondContact O-N 2.9Å
673Q83.2Confident70.8Confident158 Ų15877.2 Ų77.274%0.73840%0.398SS*.EExtended strand (participates in β ladder)trans-91.6138.3176.6-77.2-172.9-12.800111.4
674T81.7Confident72.3Confident26 Ų2670.6 Ų70.616%0.1637%0.369CS..PPolyproline II helixtrans-93.7134.3176.4640000110K676 I678 W803 H804 T805T674-K676 VanDerWaalsContact C-N 3.28Å; T674-K676 PolarHBondContact O-N 2.97Å; T674-K676 PolarHBondContact OG1-O 2.9Å; T674-I678 HydrophobicContact CG2-CD1 3.44Å; T674-I678 VanDerWaalsContact CG2-CD1 3.44Å; T674-I678 HydrophobicContact CG2-CG1 4.44Å; T674-W803 HydrophobicContact CG2-CB 4.25Å; T674-W803 HydrophobicContact CG2-CD2 4.33Å; T674-W803 HydrophobicContact CG2-CE3 3.65Å; T674-W803 HydrophobicContact CG2-CZ3 4.41Å; T674-H804 PolarHBondContact N-O 2.89Å; T674-H804 VanDerWaalsContact N-O 3.1Å; T674-H804 PolarHBondContact OG1-O 3.29Å; T674-T805 VanDerWaalsContact OG1-CA 3.32Å; T674-T805 WeakPolarHBondContact OG1-CA 3.44Å; T674-T805 WeakPolarHBondContact OG1-CB 3.37Å; T674-T805 PolarHBondContact OG1-OG1 3.34Å
675E75.1Confident72.7Confident199 Ų19977.3 Ų77.393%0.9340%0.399SS*.SBendtrans-70.1-22.7178-63.5-176.917300113.7
676K78.8Confident72.9Confident153 Ų15380.1 Ų80.167%0.66542%0.42SS*.SBendtrans-133.9151.3-177.3-65.9-178.3-175.8175.30111.3T674 I678T674-K676 VanDerWaalsContact C-N 3.28Å; T674-K676 PolarHBondContact O-N 2.97Å; T674-K676 PolarHBondContact OG1-O 2.9Å; K676-I678 PolarHBondContact O-N 3.44Å
677P80.7Confident72.5Confident58 Ų5878 Ų7838%0.37741%0.414SS..  trans-65.7129175.526.6-33.9000110.3T731 A806P677-T731 HydrophobicContact CB-CG2 4.44Å; P677-T731 PolarHBondContact O-OG1 2.67Å; P677-A806 WeakPolarHBondContact CB-O 3.07Å
678I83.7Confident71.6Confident18 Ų1880 Ų809%0.09243%0.432CS..  trans-93.3-27.8-176.7-64.3166.2000112.6T674 K676 T731 F738 L741 F795T674-I678 HydrophobicContact CG2-CD1 3.44Å; T674-I678 VanDerWaalsContact CG2-CD1 3.44Å; T674-I678 HydrophobicContact CG2-CG1 4.44Å; K676-I678 PolarHBondContact O-N 3.44Å; I678-T731 WeakPolarHBondContact CA-OG1 3.31Å; I678-T731 PolarHBondContact O-N 2.58Å; I678-T731 PolarHBondContact O-OG1 3.11Å; I678-F738 HydrophobicContact CD1-CD1 3.84Å; I678-F738 HydrophobicContact CD1-CD2 3.74Å; I678-F738 HydrophobicContact CD1-CE1 3.77Å; I678-F738 HydrophobicContact CD1-CE2 3.69Å; I678-F738 HydrophobicContact CD1-CG 3.81Å; I678-F738 HydrophobicContact CD1-CZ 3.7Å; I678-F738 HydrophobicContact CG1-CD2 4.21Å; I678-F738 HydrophobicContact CG1-CE2 4.45Å; I678-F738 HydrophobicContact CG1-CG 4.42Å; I678-F738 HydrophobicContact CG2-CB 3.59Å; I678-F738 HydrophobicContact CG2-CD1 4.47Å; I678-F738 HydrophobicContact CG2-CD2 4.36Å; I678-F738 HydrophobicContact CG2-CG 3.91Å; I678-L741 HydrophobicContact CG2-CD1 4.38Å; I678-F795 HydrophobicContact CD1-CE1 4.18Å; I678-F795 HydrophobicContact CD1-CE2 4.49Å; I678-F795 HydrophobicContact CD1-CZ 3.52Å
679F84.6Confident71Confident0 Ų082.9 Ų82.90%044%0.441CS..EExtended strand (participates in β ladder)trans-146.7158.8177.247.4-94000110.5L728 T729 L741 I744 L746 L766 A793 F795 T805 M807F679-L728 HydrophobicContact CD2-CD1 3.67Å; F679-L728 HydrophobicContact CD2-CG 4.29Å; F679-L728 HydrophobicContact CE2-CD1 4.28Å; F679-L728 HydrophobicContact CG-CD1 4.48Å; F679-T729 CarbonylContact C-O 3.42Å; F679-T729 WeakPolarHBondContact CA-O 3.31Å; F679-T729 VanDerWaalsContact CB-O 3.24Å; F679-T729 WeakPolarHBondContact CB-O 3.35Å; F679-L741 HydrophobicContact CD1-CD1 3.41Å; F679-L741 VanDerWaalsContact CD1-CD1 3.41Å; F679-L741 HydrophobicContact CE1-CD1 3.5Å; F679-L741 HydrophobicContact CG-CD1 4.5Å; F679-I744 HydrophobicContact CE2-CG2 4.04Å; F679-I744 HydrophobicContact CZ-CG2 3.92Å; F679-L746 HydrophobicContact CE2-CD2 4.16Å; F679-L766 HydrophobicContact CB-CD2 4.15Å; F679-L766 HydrophobicContact CG-CD2 4.45Å; F679-A793 HydrophobicContact CE2-CB 3.45Å; F679-A793 VanDerWaalsContact CE2-CB 3.45Å; F679-A793 HydrophobicContact CZ-CB 3.47Å; F679-A793 VanDerWaalsContact CZ-CB 3.47Å; F679-F795 AromaticContact CE1-CD1 3.49Å; F679-F795 HydrophobicContact CE1-CD1 3.49Å; F679-F795 VanDerWaalsContact CE1-CD1 3.49Å; F679-F795 AromaticContact CE1-CE1 3.6Å; F679-F795 HydrophobicContact CE1-CE1 3.6Å; F679-F795 AromaticContact CE1-CG 4Å; F679-F795 HydrophobicContact CE1-CG 4Å; F679-F795 HydrophobicContact CE1-CZ 4.2Å; F679-F795 AromaticContact CZ-CD1 3.56Å; F679-F795 HydrophobicContact CZ-CD1 3.56Å; F679-F795 HydrophobicContact CZ-CE1 4.02Å; F679-F795 HydrophobicContact CZ-CG 4.19Å; F679-T805 HydrophobicContact CE1-CG2 3.99Å; F679-T805 HydrophobicContact CE2-CG2 4.3Å; F679-T805 HydrophobicContact CZ-CG2 3.79Å; F679-M807 HydrophobicContact CD2-CE 3.82Å; F679-M807 HydrophobicContact CD2-CG 4.45Å; F679-M807 HydrophobicContact CD2-SD 3.69Å; F679-M807 HydrophobicContact CE2-CE 4.22Å; F679-M807 HydrophobicContact CE2-CG 4.42Å; F679-M807 HydrophobicContact CE2-SD 3.51Å; F679-M807 VanDerWaalsContact CE2-SD 3.51Å
680H84.9Confident70.1Confident54 Ų5483.2 Ų83.225%0.2544%0.439CS..EExtended strand (participates in β ladder)trans-138.8160.8-178.564.1-74000110.1T682 T729 H730 T731 P808H680-T682 WeakPolarHBondContact CD2-CG2 3.41Å; H680-T682 VanDerWaalsContact NE2-CG2 3.25Å; H680-T682 WeakPolarHBondContact NE2-CG2 3.29Å; H680-T729 PolarHBondContact CE1-OG1 3.12Å; H680-T729 VanDerWaalsContact CE1-OG1 3.32Å; H680-T729 PolarHBondContact N-O 2.99Å; H680-T729 PolarHBondContact ND1-O 2.96Å; H680-T729 PolarHBondContact NE2-OG1 3.14Å; H680-T729 PolarHBondContact O-N 3.24Å; H680-T729 PolarHBondContact O-OG1 2.7Å; H680-H730 PolarHBondContact CE1-O 3.38Å; H680-T731 HydrophobicContact CB-CG2 4.13Å; H680-T731 WeakPolarHBondContact ND1-CG2 3.5Å; H680-P808 HydrophobicContact CB-CG 4.13Å
681L85.4Confident68.6Low25 Ų2588.6 Ų88.613%0.13146%0.46CS..EExtended strand (participates in β ladder)trans-96.9123.9174.9-73.4162.8000108.8Y726 L728 L746 F748 V775 V791 M807 I810L681-Y726 HydrophobicContact CB-CD1 4.12Å; L681-Y726 HydrophobicContact CB-CG 4.32Å; L681-L728 HydrophobicContact CD2-CB 4.27Å; L681-L728 HydrophobicContact CD2-CD1 3.68Å; L681-L728 HydrophobicContact CG-CD1 4.04Å; L681-L746 HydrophobicContact CD1-CD1 4.44Å; L681-F748 HydrophobicContact CD1-CE1 4.46Å; L681-V775 HydrophobicContact CD2-CB 4.1Å; L681-V775 HydrophobicContact CD2-CG2 3.95Å; L681-V791 HydrophobicContact CD1-CG1 4.34Å; L681-M807 HydrophobicContact CD1-CE 4.09Å; L681-M807 HydrophobicContact CG-CE 3.85Å; L681-I810 HydrophobicContact CB-CD1 4.43Å; L681-I810 HydrophobicContact CD1-CD1 3.67Å
682T83.1Confident66.6Low42 Ų4288.1 Ų88.126%0.25847%0.471SS..EExtended strand (participates in β ladder)trans-108.7138.6174.8490000110H680 A684 Y726 H727H680-T682 WeakPolarHBondContact CD2-CG2 3.41Å; H680-T682 VanDerWaalsContact NE2-CG2 3.25Å; H680-T682 WeakPolarHBondContact NE2-CG2 3.29Å; T682-A684 PolarHBondContact O-N 3.06Å; T682-Y726 CarbonylContact O-C 3.25Å; T682-Y726 VanDerWaalsContact O-CA 3.25Å; T682-Y726 WeakPolarHBondContact O-CA 3.22Å; T682-H727 PolarHBondContact N-O 3.49Å; T682-H727 PolarHBondContact O-N 2.96Å; T682-H727 PolarHBondContact OG1-O 3.1Å
683E80.9Confident64.4Low112 Ų11294.3 Ų94.352%0.52350%0.5SS..EExtended strand (participates in β ladder)trans-61.7128.9-179.8-168.5173.6-17500110.4Y726 Q816E683-Y726 HydrophobicContact CB-CD1 4.41Å; E683-Y726 HydrophobicContact CB-CE1 4.19Å; E683-Q816 PolarHBondContact OE1-NE2 2.85Å; E683-Q816 PolarHBondContact OE2-NE2 3.37Å
684A75.1Confident62.1Low11 Ų1194.2 Ų94.29%0.09151%0.505CS..PPolyproline II helixtrans-78.4136.6170.200000108.6T682 K725 H727T682-A684 PolarHBondContact O-N 3.06Å; A684-K725 HydrophobicContact CB-CB 3.95Å; A684-K725 VanDerWaalsContact CB-O 3.26Å; A684-K725 WeakPolarHBondContact CB-O 2.86Å; A684-K725 PolarHBondContact N-O 2.87Å; A684-H727 WeakPolarHBondContact CA-ND1 3.1Å; A684-H727 WeakPolarHBondContact CB-CE1 3.48Å; A684-H727 WeakPolarHBondContact CB-ND1 2.93Å
685L59.3Low59.9Low163 Ų16399.9 Ų99.985%0.85353%0.533SS*.PPolyproline II helixtrans-46.2130.7170.8-81.9154.3000109.6G687L685-G687 PolarHBondContact O-N 3.18Å
686P54.2Low58.2Low106 Ų10699 Ų9969%0.68853%0.529SS*.  trans-61.6107.2179.623.2-30.6000108
687G42.9Very low56.2Low36 Ų3699.1 Ų99.137%0.37154%0.536SS..  trans-62.7159.8163.700000109.2L685 H689L685-G687 PolarHBondContact O-N 3.18Å; G687-H689 PolarHBondContact O-N 2.93Å; G687-H689 VanDerWaalsContact O-N 3.1Å
688P35.9Very low54.1Low126 Ų126103.3 Ų103.382%0.81856%0.555SS**SBendtrans-47.9125.7174.820.8-31.7000108.6Q690P688-Q690 PolarHBondContact O-N 2.75Å
689H41.3Very low52.1Low109 Ų109111.4 Ų111.451%0.50559%0.593SS.*  trans-45.5120.4-178.6-73.3-79.7000108.1G687 E691G687-H689 PolarHBondContact O-N 2.93Å; G687-H689 VanDerWaalsContact O-N 3.1Å; H689-E691 PolarHBondContact O-N 2.77Å
690Q36.9Very low50Low137 Ų137120.1 Ų120.164%0.6463%0.633SS**  trans-58.4119.1179.6-83.3171.8-6500107.2P688 A692P688-Q690 PolarHBondContact O-N 2.75Å; Q690-A692 PolarHBondContact O-N 3.39Å
691E35Very low47.9Very low178 Ų178124.5 Ų124.583%0.83266%0.659SS**  trans-35.4124.5170.2-67.1168.4164.400108.7H689 E693H689-E691 PolarHBondContact O-N 2.77Å; E691-E693 PolarHBondContact O-N 3.11Å
692A35.3Very low46Very low88 Ų88132 Ų13273%0.72769%0.693SS**  trans-43.7128.7175.300000108.7Q690 N694Q690-A692 PolarHBondContact O-N 3.39Å; A692-N694 PolarHBondContact O-N 3.14Å; A692-N694 VanDerWaalsContact O-N 3.11Å
693E34.6Very low44.5Very low181 Ų181140 Ų14085%0.84672%0.72SS**  trans-43.5123.8-179.1-75.7-178.8156.500110.1E691 L695E691-E693 PolarHBondContact O-N 3.11Å; E693-L695 PolarHBondContact O-N 3.11Å
694N34.3Very low43.6Very low157 Ų157140.3 Ų140.384%0.8472%0.72SS**  trans-39.2101.1180-76.4-53.6000112.4A692A692-N694 PolarHBondContact O-N 3.14Å; A692-N694 VanDerWaalsContact O-N 3.11Å
695L36.8Very low43.4Very low145 Ų145141.8 Ų141.876%0.75973%0.728SS**  trans-96.191.5166.2-74.3166.2000108E693 L697E693-L695 PolarHBondContact O-N 3.11Å; L695-L697 PolarHBondContact O-N 3.4Å
696Q39Very low44.2Very low180 Ų180135.4 Ų135.484%0.84169%0.694SS**  trans-65122154.9-74.4176.3-16.900107.1
697L37Very low45.2Very low156 Ų156135.4 Ų135.482%0.81769%0.685SS**  trans-168.3142.3144.2-99.6152.8000112.7L695L695-L697 PolarHBondContact O-N 3.4Å
698N35.7Very low46.8Very low146 Ų146136.2 Ų136.278%0.78168%0.684SS**  trans-22.7134.8-176.1-61.1-16.7000119.4E700N698-E700 PolarHBondContact O-N 3.02Å
699Q42.5Very low48.8Very low188 Ų188130.2 Ų130.288%0.87965%0.645SS**  trans-48.8127.5157.6-69.2170.9-22.600110.2
700E39.8Very low50.4Low182 Ų182130.4 Ų130.485%0.8564%0.642SS**  trans-172.1138.6136-99.9162.8-157.400109.6N698N698-E700 PolarHBondContact O-N 3.02Å
701D40.2Very low52.3Low146 Ų146126.5 Ų126.578%0.78163%0.632SS**  trans87.1100.1170.3-57-23.7000120.3Y703D701-Y703 PolarHBondContact O-N 3.19Å
702E46.4Very low54.1Low184 Ų184119.8 Ų119.886%0.8660%0.601SS**  trans-89.19.5-171-138.1172.6-162.100114.7
703Y50.8Low55.8Low209 Ų209116.8 Ų116.882%0.8257%0.573SS**SBendtrans-116.6-3.8-163.5-93.3-80.5000119.4D701D701-Y703 PolarHBondContact O-N 3.19Å
704K63.3Low57.4Low118 Ų118112.5 Ų112.551%0.51356%0.563SS.*  trans-151.986.6172.8-63.3-171.4-178.7-178.50113.7L706 E707 C708K704-L706 PolarHBondContact O-N 3.39Å; K704-E707 HydrophobicContact CB-CB 4.03Å; K704-E707 HydrophobicContact CB-CG 4.33Å; K704-E707 HydrophobicContact CD-CB 4.43Å; K704-E707 HydrophobicContact CD-CG 4.06Å; K704-E707 VanDerWaalsContact CD-OE1 3.24Å; K704-E707 WeakPolarHBondContact CD-OE1 3.24Å; K704-E707 WeakPolarHBondContact CD-OE2 3.37Å; K704-E707 IonicContact NZ-OE1 3.3Å; K704-E707 PolarHBondContact NZ-OE1 2.67Å; K704-E707 IonicContact NZ-OE2 3.17Å; K704-E707 PolarHBondContact NZ-OE2 2.99Å; K704-E707 PolarHBondContact O-N 3.4Å; K704-C708 PolarHBondContact O-N 2.94Å; K704-C708 VanDerWaalsContact O-N 3.07Å; K704-C708 PolarHBondContact O-SG 3.14Å
705T70.6Confident59.2Low42 Ų42111.8 Ų111.826%0.25855%0.552SS.*Hα-helixtrans-58.2-42.4-179.144.20000113.4C708 Y709T705-C708 PolarHBondContact O-N 3.44Å; T705-Y709 PolarHBondContact O-N 3.07Å
706L75.1Confident60.4Low30 Ų30111 Ų11116%0.15756%0.559CS.*Hα-helixtrans-67.4-42.6178.5-174.570.8000113.4K704 C708 Y709 R710 V835 L839K704-L706 PolarHBondContact O-N 3.39Å; L706-C708 VanDerWaalsContact C-N 3.33Å; L706-Y709 WeakPolarHBondContact O-CB 3.48Å; L706-Y709 PolarHBondContact O-N 2.98Å; L706-R710 PolarHBondContact O-N 2.88Å; L706-V835 HydrophobicContact CD1-CG1 4.19Å; L706-L839 HydrophobicContact CD1-CD2 3.93Å; L706-L839 HydrophobicContact CD1-CG 3.81Å
707E75.8Confident61.5Low106 Ų106105.1 Ų105.150%0.49555%0.547SS..Hα-helixtrans-67.8-36.7177.6-70.9-178.1-163.700111K704 R710 A711K704-E707 HydrophobicContact CB-CB 4.03Å; K704-E707 HydrophobicContact CB-CG 4.33Å; K704-E707 HydrophobicContact CD-CB 4.43Å; K704-E707 HydrophobicContact CD-CG 4.06Å; K704-E707 VanDerWaalsContact CD-OE1 3.24Å; K704-E707 WeakPolarHBondContact CD-OE1 3.24Å; K704-E707 WeakPolarHBondContact CD-OE2 3.37Å; K704-E707 IonicContact NZ-OE1 3.3Å; K704-E707 PolarHBondContact NZ-OE1 2.67Å; K704-E707 IonicContact NZ-OE2 3.17Å; K704-E707 PolarHBondContact NZ-OE2 2.99Å; K704-E707 PolarHBondContact O-N 3.4Å; E707-R710 PolarHBondContact O-N 3.4Å; E707-A711 PolarHBondContact O-N 2.85Å
708C75.4Confident63Low52 Ų5299.9 Ų99.935%0.35152%0.517SS..Hα-helixtrans-63.3-41.1172.6-69.10000112.1K704 T705 L706 A711 Q712K704-C708 PolarHBondContact O-N 2.94Å; K704-C708 VanDerWaalsContact O-N 3.07Å; K704-C708 PolarHBondContact O-SG 3.14Å; T705-C708 PolarHBondContact O-N 3.44Å; L706-C708 VanDerWaalsContact C-N 3.33Å; C708-A711 PolarHBondContact O-N 3.46Å; C708-Q712 WeakPolarHBondContact O-CG 3.24Å; C708-Q712 PolarHBondContact O-N 2.96Å
709Y79.7Confident64.4Low0 Ų094.4 Ų94.40%049%0.492CS..Hα-helixtrans-60-47.7174.8-175.7-117.7000112T705 L706 A711 Q712 L713 L821 P822 W827 V835 L839 H898T705-Y709 PolarHBondContact O-N 3.07Å; L706-Y709 WeakPolarHBondContact O-CB 3.48Å; L706-Y709 PolarHBondContact O-N 2.98Å; Y709-A711 VanDerWaalsContact C-N 3.33Å; Y709-A711 PolarHBondContact O-N 3.23Å; Y709-Q712 WeakPolarHBondContact O-CA 3.21Å; Y709-Q712 VanDerWaalsContact O-CB 3.31Å; Y709-Q712 WeakPolarHBondContact O-CB 3.22Å; Y709-Q712 PolarHBondContact O-N 2.9Å; Y709-L713 HydrophobicContact CD1-CD1 4.14Å; Y709-L713 HydrophobicContact CE1-CD1 3.67Å; Y709-L713 HydrophobicContact CE1-CG 4.27Å; Y709-L713 PolarHBondContact O-N 2.74Å; Y709-L821 HydrophobicContact CE1-CD1 4.27Å; Y709-L821 HydrophobicContact CE2-CD1 3.71Å; Y709-L821 HydrophobicContact CE2-CG 4.4Å; Y709-L821 WeakPolarHBondContact OH-CD1 3.26Å; Y709-P822 HydrophobicContact CE2-CG 4.36Å; Y709-W827 AromaticContact CD2-CH2 3.84Å; Y709-W827 HydrophobicContact CD2-CH2 3.84Å; Y709-W827 HydrophobicContact CD2-CZ3 4.27Å; Y709-W827 HydrophobicContact CG-CH2 4.2Å; Y709-V835 HydrophobicContact CD1-CG1 4.02Å; Y709-V835 HydrophobicContact CE1-CG1 4.47Å; Y709-V835 HydrophobicContact CG-CG1 4.24Å; Y709-L839 HydrophobicContact CE1-CD1 4.34Å; Y709-H898 AromaticContact CE1-NE2 3.43Å; Y709-H898 WeakPolarHBondContact CE1-NE2 3.49Å; Y709-H898 AromaticContact CZ-NE2 3.51Å; Y709-H898 PolarHBondContact OH-NE2 3.47Å
710R75.1Confident65.9Low114 Ų11486.7 Ų86.743%0.4346%0.459SS..Hα-helixtrans-61.7-39.7177.8-77.2179.2159.1160.6-6.7113.2L706 E707 Q712 L713 S714 E842L706-R710 PolarHBondContact O-N 2.88Å; E707-R710 PolarHBondContact O-N 3.4Å; R710-Q712 PolarHBondContact O-N 3.43Å; R710-L713 PolarHBondContact O-N 3.03Å; R710-S714 PolarHBondContact O-N 3.21Å; R710-E842 IonicContact CZ-OE1 2.71Å; R710-E842 IonicContact CZ-OE2 3.02Å; R710-E842 IonicContact NH1-OE1 3.21Å; R710-E842 PolarHBondContact NH1-OE1 2.92Å; R710-E842 IonicContact NH1-OE2 3.21Å; R710-E842 IonicContact NH2-OE1 2.84Å; R710-E842 PolarHBondContact NH2-OE1 3.43Å; R710-E842 IonicContact NH2-OE2 3.83Å; R710-E842 PolarHBondContact NH2-OE2 3.07Å
711A75.5Confident67.8Low54 Ų5481.2 Ų81.245%0.44644%0.436SS..Hα-helixtrans-60.5-30174.500000111.7E707 C708 Y709 S714E707-A711 PolarHBondContact O-N 2.85Å; C708-A711 PolarHBondContact O-N 3.46Å; Y709-A711 VanDerWaalsContact C-N 3.33Å; Y709-A711 PolarHBondContact O-N 3.23Å; A711-S714 PolarHBondContact O-OG 3.31Å
712Q73.5Confident69.9Low37 Ų3774.5 Ų74.517%0.17340%0.4CS..Hα-helixtrans-73.1-42.7175.1-64169.412.200112.6C708 Y709 R710 S714 K715 F718C708-Q712 WeakPolarHBondContact O-CG 3.24Å; C708-Q712 PolarHBondContact O-N 2.96Å; Y709-Q712 WeakPolarHBondContact O-CA 3.21Å; Y709-Q712 VanDerWaalsContact O-CB 3.31Å; Y709-Q712 WeakPolarHBondContact O-CB 3.22Å; Y709-Q712 PolarHBondContact O-N 2.9Å; R710-Q712 PolarHBondContact O-N 3.43Å; Q712-S714 PolarHBondContact O-N 3.07Å; Q712-S714 VanDerWaalsContact O-N 3.15Å; Q712-K715 WeakPolarHBondContact O-CB 3.31Å; Q712-K715 PolarHBondContact O-N 3.32Å; Q712-F718 HydrophobicContact CB-CD2 4.17Å; Q712-F718 HydrophobicContact CB-CE1 4.22Å; Q712-F718 HydrophobicContact CB-CE2 3.84Å; Q712-F718 HydrophobicContact CB-CG 4.5Å; Q712-F718 HydrophobicContact CB-CZ 3.85Å; Q712-F718 WeakPolarHBondContact O-CB 3.44Å; Q712-F718 WeakPolarHBondContact O-CG 3.47Å
713L71.3Confident71.7Confident26 Ų2668.5 Ų68.514%0.13638%0.376CS..Hα-helixtrans-60.5-22.8174.8-68.3170.5000113.5Y709 R710 K715 F718 F892 K896Y709-L713 HydrophobicContact CD1-CD1 4.14Å; Y709-L713 HydrophobicContact CE1-CD1 3.67Å; Y709-L713 HydrophobicContact CE1-CG 4.27Å; Y709-L713 PolarHBondContact O-N 2.74Å; R710-L713 PolarHBondContact O-N 3.03Å; L713-K715 VanDerWaalsContact C-N 3.34Å; L713-F718 HydrophobicContact CD2-CD1 3.95Å; L713-F718 HydrophobicContact CD2-CE1 3.96Å; L713-F718 HydrophobicContact CG-CE1 4.49Å; L713-F892 HydrophobicContact CD2-CE2 3.73Å; L713-F892 HydrophobicContact CD2-CZ 4.03Å; L713-K896 WeakPolarHBondContact O-CE 3.5Å
714S67.1Low73.3Confident91 Ų9159.3 Ų59.364%0.63634%0.34SS*.THydrogen-bonded Turntrans-78.8-13.5176.177.30000114.1R710 A711 Q712R710-S714 PolarHBondContact O-N 3.21Å; A711-S714 PolarHBondContact O-OG 3.31Å; Q712-S714 PolarHBondContact O-N 3.07Å; Q712-S714 VanDerWaalsContact O-N 3.15Å
715K71.7Confident74.4Confident142 Ų14256.4 Ų56.462%0.61733%0.328SS*.SBendtrans-77.2131.7176.7-64.2179.4-179.6177.30110.3Q712 L713 G717 F718Q712-K715 WeakPolarHBondContact O-CB 3.31Å; Q712-K715 PolarHBondContact O-N 3.32Å; L713-K715 VanDerWaalsContact C-N 3.34Å; K715-G717 PolarHBondContact O-N 3.26Å; K715-F718 HydrophobicContact CB-CB 4.46Å; K715-F718 PolarHBondContact O-N 3.03Å
716S62.3Low75.2Confident128 Ų12855 Ų5590%0.89532%0.318SS*.THydrogen-bonded Turntrans-60.5121.7178.956.60000111.4
717G61.9Low75.8Confident57 Ų5756.1 Ų56.159%0.58832%0.322SS*.THydrogen-bonded Turntrans86.27.7177.700000115.6K715 A719 S720K715-G717 PolarHBondContact O-N 3.26Å; G717-A719 PolarHBondContact O-N 3.49Å; G717-S720 PolarHBondContact O-OG 3.28Å
718F68.5Low76.3Confident45 Ų4551 Ų5120%0.19730%0.298CS..THydrogen-bonded Turntrans-64.2123.2174.5179.4-100.1000111Q712 L713 K715 S720 P822Q712-F718 HydrophobicContact CB-CD2 4.17Å; Q712-F718 HydrophobicContact CB-CE1 4.22Å; Q712-F718 HydrophobicContact CB-CE2 3.84Å; Q712-F718 HydrophobicContact CB-CG 4.5Å; Q712-F718 HydrophobicContact CB-CZ 3.85Å; Q712-F718 WeakPolarHBondContact O-CB 3.44Å; Q712-F718 WeakPolarHBondContact O-CG 3.47Å; L713-F718 HydrophobicContact CD2-CD1 3.95Å; L713-F718 HydrophobicContact CD2-CE1 3.96Å; L713-F718 HydrophobicContact CG-CE1 4.49Å; K715-F718 HydrophobicContact CB-CB 4.46Å; K715-F718 PolarHBondContact O-N 3.03Å; F718-S720 PolarHBondContact O-N 3.16Å; F718-P822 HydrophobicContact CE1-CB 4.09Å; F718-P822 HydrophobicContact CE1-CG 3.63Å; F718-P822 HydrophobicContact CZ-CB 3.8Å; F718-P822 HydrophobicContact CZ-CG 3.81Å
719A66.6Low76.8Confident31 Ų3149.4 Ų49.426%0.25629%0.287SS..THydrogen-bonded Turntrans46.928177.500000114.9G717 L721 P822 F892 P894G717-A719 PolarHBondContact O-N 3.49Å; A719-L721 VanDerWaalsContact C-N 3.31Å; A719-L721 PolarHBondContact O-N 2.98Å; A719-P822 HydrophobicContact CB-CB 3.74Å; A719-P822 HydrophobicContact CB-CG 3.79Å; A719-F892 HydrophobicContact CB-CD1 4.29Å; A719-F892 HydrophobicContact CB-CE1 3.47Å; A719-F892 VanDerWaalsContact CB-CE1 3.47Å; A719-F892 HydrophobicContact CB-CZ 4.08Å; A719-P894 VanDerWaalsContact O-CB 3.31Å; A719-P894 WeakPolarHBondContact O-CB 3.43Å; A719-P894 VanDerWaalsContact O-CG 3.23Å; A719-P894 WeakPolarHBondContact O-CG 3.35Å
720S72.6Confident77Confident27 Ų2751.1 Ų51.119%0.18930%0.295CS..  trans-88.810.1-17173.10000114.2G717 F718 K780G717-S720 PolarHBondContact O-OG 3.28Å; F718-S720 PolarHBondContact O-N 3.16Å; S720-K780 WeakPolarHBondContact O-CA 3.4Å
721L80.8Confident77.2Confident67 Ų6747 Ų4735%0.35128%0.283SS..  trans-122.7125.6-169.8-164.175.4000110.9A719 V723 K778 L779 K780A719-L721 VanDerWaalsContact C-N 3.31Å; A719-L721 PolarHBondContact O-N 2.98Å; L721-V723 HydrophobicContact CD2-CG2 3.9Å; L721-V723 HydrophobicContact CG-CG2 4.21Å; L721-K778 HydrophobicContact CD1-CB 3.95Å; L721-K778 HydrophobicContact CD2-CB 4.47Å; L721-K778 HydrophobicContact CD2-CD 4.26Å; L721-K778 HydrophobicContact CD2-CG 4.3Å; L721-K778 HydrophobicContact CG-CB 4.46Å; L721-L779 WeakPolarHBondContact CA-O 3.37Å; L721-K780 HydrophobicContact CD1-CD 4.45Å; L721-K780 HydrophobicContact CD1-CG 3.61Å
722I83.3Confident77.1Confident4 Ų453.1 Ų53.12%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-108.3125.2172.3-61.7160.3000107.4L724 L779 P781 V817 L819 P894I722-L724 HydrophobicContact CG2-CD2 3.99Å; I722-L724 HydrophobicContact CG2-CG 4.3Å; I722-L779 HydrophobicContact CB-CB 4.26Å; I722-L779 PolarHBondContact N-O 3.18Å; I722-L779 PolarHBondContact O-N 2.67Å; I722-P781 HydrophobicContact CD1-CG 3.86Å; I722-V817 HydrophobicContact CD1-CB 4.2Å; I722-V817 HydrophobicContact CD1-CG1 3.57Å; I722-L819 HydrophobicContact CG1-CD1 4.4Å; I722-P894 HydrophobicContact CD1-CG 4.34Å; I722-P894 HydrophobicContact CG1-CG 4.21Å
723V84.5Confident76.5Confident59 Ų5957 Ų5736%0.35833%0.33SS..EExtended strand (participates in β ladder)trans-110.1105.7-178.5-174.50000109.8L721 Q776 L777 K778L721-V723 HydrophobicContact CD2-CG2 3.9Å; L721-V723 HydrophobicContact CG-CG2 4.21Å; V723-Q776 HydrophobicContact CG1-CB 4.1Å; V723-Q776 HydrophobicContact CG1-CG 4.49Å; V723-L777 CarbonylContact C-O 3.55Å; V723-L777 WeakPolarHBondContact CA-O 3.25Å; V723-K778 HydrophobicContact CG2-CG 4.32Å
724L84.8Confident76.1Confident15 Ų1558.9 Ų58.98%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-94.9135.5174.3-55-179.4000110.1I722 Y726 Q776 L777 L779 V812 Q816I722-L724 HydrophobicContact CG2-CD2 3.99Å; I722-L724 HydrophobicContact CG2-CG 4.3Å; L724-Y726 HydrophobicContact CB-CD2 4.22Å; L724-Y726 HydrophobicContact CB-CE2 3.52Å; L724-Y726 HydrophobicContact CD1-CE2 4.19Å; L724-Q776 CarbonylContact O-C 3.58Å; L724-Q776 WeakPolarHBondContact O-CA 3.38Å; L724-L777 HydrophobicContact CB-CB 4.36Å; L724-L777 PolarHBondContact N-O 2.88Å; L724-L777 PolarHBondContact O-N 3.03Å; L724-L779 HydrophobicContact CD1-CD1 3.53Å; L724-L779 HydrophobicContact CG-CD1 4.05Å; L724-V812 HydrophobicContact CD1-CG1 4.16Å; L724-V812 HydrophobicContact CD1-CG2 4Å; L724-Q816 HydrophobicContact CD2-CB 3.99Å
725K86.4Confident76.3Confident58 Ų5858.7 Ų58.725%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-108.3123.9-177.5-65.8179.9-179.8172.10109.5A684 V774 V775 Q776A684-K725 HydrophobicContact CB-CB 3.95Å; A684-K725 VanDerWaalsContact CB-O 3.26Å; A684-K725 WeakPolarHBondContact CB-O 2.86Å; A684-K725 PolarHBondContact N-O 2.87Å; K725-V774 HydrophobicContact CB-CG1 4.19Å; K725-V775 WeakPolarHBondContact CA-O 3.5Å; K725-Q776 HydrophobicContact CG-CG 4.34Å
726Y87.2Confident76.2Confident11 Ų1155.3 Ų55.34%0.04332%0.322CS..EExtended strand (participates in β ladder)trans-123.6146.9178.1-68.7-92000110.9L681 T682 E683 L724 V774 V775 L777 I810L681-Y726 HydrophobicContact CB-CD1 4.12Å; L681-Y726 HydrophobicContact CB-CG 4.32Å; T682-Y726 CarbonylContact O-C 3.25Å; T682-Y726 VanDerWaalsContact O-CA 3.25Å; T682-Y726 WeakPolarHBondContact O-CA 3.22Å; E683-Y726 HydrophobicContact CB-CD1 4.41Å; E683-Y726 HydrophobicContact CB-CE1 4.19Å; L724-Y726 HydrophobicContact CB-CD2 4.22Å; L724-Y726 HydrophobicContact CB-CE2 3.52Å; L724-Y726 HydrophobicContact CD1-CE2 4.19Å; Y726-V774 CarbonylContact O-C 3.57Å; Y726-V774 WeakPolarHBondContact O-CA 3.47Å; Y726-V775 PolarHBondContact N-O 2.88Å; Y726-V775 PolarHBondContact O-N 3.25Å; Y726-L777 HydrophobicContact CD2-CD1 3.7Å; Y726-L777 HydrophobicContact CD2-CG 4.15Å; Y726-L777 HydrophobicContact CE2-CD1 3.56Å; Y726-L777 HydrophobicContact CE2-CG 4.34Å; Y726-I810 HydrophobicContact CE1-CG2 4.12Å; Y726-I810 HydrophobicContact CE2-CG2 4.37Å; Y726-I810 VanDerWaalsContact OH-CG2 3.25Å; Y726-I810 WeakPolarHBondContact OH-CG2 3.29Å
727H87.8Confident76.5Confident54 Ų5450.6 Ų50.625%0.2530%0.295CS..EExtended strand (participates in β ladder)trans-96130.4167.4-64.4103.3000109.8T682 A684 R772T682-H727 PolarHBondContact N-O 3.49Å; T682-H727 PolarHBondContact O-N 2.96Å; T682-H727 PolarHBondContact OG1-O 3.1Å; A684-H727 WeakPolarHBondContact CA-ND1 3.1Å; A684-H727 WeakPolarHBondContact CB-CE1 3.48Å; A684-H727 WeakPolarHBondContact CB-ND1 2.93Å; H727-R772 HydrophobicContact CB-CB 4.26Å
728L86.4Confident77.4Confident0 Ų048.9 Ų48.90%027%0.271CS..EExtended strand (participates in β ladder)trans-81.4122.7171-165.268.6000109.7F679 L681 I744 V763 L766 P773 M807F679-L728 HydrophobicContact CD2-CD1 3.67Å; F679-L728 HydrophobicContact CD2-CG 4.29Å; F679-L728 HydrophobicContact CE2-CD1 4.28Å; F679-L728 HydrophobicContact CG-CD1 4.48Å; L681-L728 HydrophobicContact CD2-CB 4.27Å; L681-L728 HydrophobicContact CD2-CD1 3.68Å; L681-L728 HydrophobicContact CG-CD1 4.04Å; L728-I744 HydrophobicContact CD2-CD1 3.85Å; L728-I744 HydrophobicContact CD2-CG2 4.5Å; L728-V763 HydrophobicContact CD2-CG1 4.26Å; L728-L766 HydrophobicContact CB-CD1 4.31Å; L728-L766 HydrophobicContact CD2-CB 4.39Å; L728-L766 HydrophobicContact CD2-CD1 4.32Å; L728-L766 HydrophobicContact CD2-CD2 3.94Å; L728-L766 HydrophobicContact CD2-CG 4.45Å; L728-L766 HydrophobicContact CG-CD1 4.35Å; L728-L766 HydrophobicContact CG-CD2 3.95Å; L728-L766 WeakPolarHBondContact O-CD1 3.45Å; L728-P773 HydrophobicContact CB-CG 3.93Å; L728-P773 HydrophobicContact CD2-CG 4.37Å; L728-P773 PolarHBondContact N-O 2.83Å; L728-P773 VanDerWaalsContact N-O 3.15Å; L728-M807 HydrophobicContact CD1-CE 4.09Å
729T85.3Confident77.9Confident18 Ų1851 Ų5111%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-134.2146.1-177.245.10000112.1F679 H680 R772F679-T729 CarbonylContact C-O 3.42Å; F679-T729 WeakPolarHBondContact CA-O 3.31Å; F679-T729 VanDerWaalsContact CB-O 3.24Å; F679-T729 WeakPolarHBondContact CB-O 3.35Å; H680-T729 PolarHBondContact CE1-OG1 3.12Å; H680-T729 VanDerWaalsContact CE1-OG1 3.32Å; H680-T729 PolarHBondContact N-O 2.99Å; H680-T729 PolarHBondContact ND1-O 2.96Å; H680-T729 PolarHBondContact NE2-OG1 3.14Å; H680-T729 PolarHBondContact O-N 3.24Å; H680-T729 PolarHBondContact O-OG1 2.7Å; T729-R772 HydrophobicContact CG2-CG 4.23Å
730H84.3Confident78.6Confident36 Ų3652.8 Ų52.817%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-65145.8173.5-68.8-88.2000111.4H680 F738H680-H730 PolarHBondContact CE1-O 3.38Å; H730-F738 PolarHBondContact CE1-O 3.02Å
731T79.6Confident79.3Confident28 Ų2851.5 Ų51.517%0.17228%0.276CS..  trans-81.4156.5173.249.50000111.6P677 I678 H680P677-T731 HydrophobicContact CB-CG2 4.44Å; P677-T731 PolarHBondContact O-OG1 2.67Å; I678-T731 WeakPolarHBondContact CA-OG1 3.31Å; I678-T731 PolarHBondContact O-N 2.58Å; I678-T731 PolarHBondContact O-OG1 3.11Å; H680-T731 HydrophobicContact CB-CG2 4.13Å; H680-T731 WeakPolarHBondContact ND1-CG2 3.5Å
732E73.6Confident79.5Confident182 Ų18251.6 Ų51.685%0.8527%0.273SS*.SBendtrans-111.8134.3171.5-61.5-174.4165.900108.5
733P60.7Low79.7Confident119 Ų11955.4 Ų55.477%0.77330%0.3SS*.SBendcis-82.1148.69.232.6-35.3000114.9
734H63.3Low79.9Confident64 Ų6452.6 Ų52.630%0.29628%0.283SS..PPolyproline II helixtrans-84.6130.5-169.6167.7-87.9000113.7P736 E739 R768H734-P736 VanDerWaalsContact CE1-CA 3.41Å; H734-P736 WeakPolarHBondContact CE1-CA 3.13Å; H734-E739 IonicContact CE1-OE1 2.89Å; H734-E739 PolarHBondContact CE1-OE1 3.4Å; H734-E739 VanDerWaalsContact NE2-CG 3.31Å; H734-E739 WeakPolarHBondContact NE2-CG 3.25Å; H734-E739 IonicContact NE2-OE1 2.86Å; H734-R768 PolarHBondContact CD2-NH1 3.14Å; H734-R768 PolarHBondContact CE1-NH1 2.81Å; H734-R768 VanDerWaalsContact CE1-NH1 3.34Å; H734-R768 PolarHBondContact NE2-NH1 3.21Å
735D69.9Low80.2Confident87 Ų8756.2 Ų56.247%0.46530%0.3SS..PPolyproline II helixtrans-94.2120.5165.8-175.8-17.3000110.1G737 F738D735-G737 PolarHBondContact O-N 2.92Å; D735-G737 VanDerWaalsContact O-N 3.1Å; D735-G737 PolarHBondContact OD1-N 3.03Å; D735-F738 HydrophobicContact CB-CD2 3.92Å; D735-F738 PolarHBondContact O-N 3.21Å; D735-F738 VanDerWaalsContact O-N 3.14Å; D735-F738 WeakPolarHBondContact OD2-CE2 3.48Å
736P70.3Confident80.4Confident71 Ų7153.4 Ų53.446%0.46129%0.288SS..G310 helixtrans-60.7-15.3178.727.6-35.9000114.7H734 F738H734-P736 VanDerWaalsContact CE1-CA 3.41Å; H734-P736 WeakPolarHBondContact CE1-CA 3.13Å; P736-F738 PolarHBondContact O-N 2.83Å
737G69.8Low80.5Confident30 Ų3057 Ų5731%0.30930%0.304SS..G310 helixtrans-67.9-19.7173.900000114.4D735D735-G737 PolarHBondContact O-N 2.92Å; D735-G737 VanDerWaalsContact O-N 3.1Å; D735-G737 PolarHBondContact OD1-N 3.03Å
738F79.3Confident80.5Confident20 Ų2054.8 Ų54.89%0.08829%0.294CS..G310 helixtrans-118.726.9-167.6-63.1-70000114.6I678 H730 D735 P736 Q740 L741 F795 W803I678-F738 HydrophobicContact CD1-CD1 3.84Å; I678-F738 HydrophobicContact CD1-CD2 3.74Å; I678-F738 HydrophobicContact CD1-CE1 3.77Å; I678-F738 HydrophobicContact CD1-CE2 3.69Å; I678-F738 HydrophobicContact CD1-CG 3.81Å; I678-F738 HydrophobicContact CD1-CZ 3.7Å; I678-F738 HydrophobicContact CG1-CD2 4.21Å; I678-F738 HydrophobicContact CG1-CE2 4.45Å; I678-F738 HydrophobicContact CG1-CG 4.42Å; I678-F738 HydrophobicContact CG2-CB 3.59Å; I678-F738 HydrophobicContact CG2-CD1 4.47Å; I678-F738 HydrophobicContact CG2-CD2 4.36Å; I678-F738 HydrophobicContact CG2-CG 3.91Å; H730-F738 PolarHBondContact CE1-O 3.02Å; D735-F738 HydrophobicContact CB-CD2 3.92Å; D735-F738 PolarHBondContact O-N 3.21Å; D735-F738 VanDerWaalsContact O-N 3.14Å; D735-F738 WeakPolarHBondContact OD2-CE2 3.48Å; P736-F738 PolarHBondContact O-N 2.83Å; F738-Q740 VanDerWaalsContact C-N 3.31Å; F738-Q740 PolarHBondContact O-N 3.34Å; F738-L741 HydrophobicContact CB-CD2 4.04Å; F738-L741 HydrophobicContact CD1-CD2 3.96Å; F738-F795 AromaticContact CD1-CE2 3.74Å; F738-F795 HydrophobicContact CD1-CE2 3.74Å; F738-F795 HydrophobicContact CD1-CZ 4.05Å; F738-F795 AromaticContact CE1-CE2 3.84Å; F738-F795 HydrophobicContact CE1-CE2 3.84Å; F738-F795 AromaticContact CE1-CZ 3.95Å; F738-F795 HydrophobicContact CE1-CZ 3.95Å; F738-W803 AromaticContact CE1-CD1 3.96Å; F738-W803 HydrophobicContact CE1-CD2 4.02Å; F738-W803 AromaticContact CE1-CE2 3.94Å; F738-W803 HydrophobicContact CE1-CG 4.05Å; F738-W803 AromaticContact CE1-NE1 3.88Å; F738-W803 HydrophobicContact CZ-CD2 4.03Å; F738-W803 AromaticContact CZ-CE2 3.98Å; F738-W803 HydrophobicContact CZ-CE3 4.3Å; F738-W803 HydrophobicContact CZ-CH2 4.46Å; F738-W803 HydrophobicContact CZ-CZ2 4.21Å
739E79.4Confident80.3Confident90 Ų9057.2 Ų57.242%0.42131%0.311SS..SBendtrans-67.5-27.6179.3-73.1-172.116900114.7H734 R768H734-E739 IonicContact CE1-OE1 2.89Å; H734-E739 PolarHBondContact CE1-OE1 3.4Å; H734-E739 VanDerWaalsContact NE2-CG 3.31Å; H734-E739 WeakPolarHBondContact NE2-CG 3.25Å; H734-E739 IonicContact NE2-OE1 2.86Å; E739-R768 PolarHBondContact O-N 2.85Å
740Q81.9Confident79.9Confident69 Ų6958.4 Ų58.432%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-132.6110.9-176.4-61.2-173-23.800109.8F738 F742 F767 K798F738-Q740 VanDerWaalsContact C-N 3.31Å; F738-Q740 PolarHBondContact O-N 3.34Å; Q740-F742 HydrophobicContact CB-CE2 4.06Å; Q740-F742 HydrophobicContact CB-CZ 4.12Å; Q740-F767 HydrophobicContact CB-CD1 3.86Å; Q740-F767 HydrophobicContact CB-CE1 3.94Å; Q740-F767 HydrophobicContact CG-CD1 3.75Å; Q740-F767 HydrophobicContact CG-CE1 4.09Å; Q740-K798 HydrophobicContact CB-CB 4.43Å; Q740-K798 PolarHBondContact O-N 3.26Å
741L85.9Confident79.1Confident0 Ų059.3 Ų59.30%032%0.324CS..EExtended strand (participates in β ladder)trans-114.8143.2-177.6-52-177.1000109.8I678 F679 F738 I744 C765 L766 F795I678-L741 HydrophobicContact CG2-CD1 4.38Å; F679-L741 HydrophobicContact CD1-CD1 3.41Å; F679-L741 VanDerWaalsContact CD1-CD1 3.41Å; F679-L741 HydrophobicContact CE1-CD1 3.5Å; F679-L741 HydrophobicContact CG-CD1 4.5Å; F738-L741 HydrophobicContact CB-CD2 4.04Å; F738-L741 HydrophobicContact CD1-CD2 3.96Å; L741-I744 HydrophobicContact CB-CD1 3.94Å; L741-I744 HydrophobicContact CB-CG1 4.17Å; L741-C765 CarbonylContact O-C 3.39Å; L741-C765 WeakPolarHBondContact O-CA 3.29Å; L741-L766 HydrophobicContact CB-CB 4.32Å; L741-L766 HydrophobicContact CD1-CD2 4.3Å; L741-L766 PolarHBondContact N-O 3.41Å; L741-L766 PolarHBondContact O-N 3.2Å; L741-F795 HydrophobicContact CB-CD2 4.35Å; L741-F795 HydrophobicContact CD1-CD2 4.26Å; L741-F795 HydrophobicContact CD1-CE2 4.39Å; L741-F795 HydrophobicContact CD2-CD2 3.68Å; L741-F795 HydrophobicContact CD2-CE2 3.58Å; L741-F795 HydrophobicContact CG-CD2 4.32Å
742F85.9Confident78.9Confident69 Ų6959.1 Ų59.130%0.30332%0.321SS..EExtended strand (participates in β ladder)trans-131153.2-176.4-54.5-83.4000110.4Q740 I744 P764 C765 F767 T796 K798Q740-F742 HydrophobicContact CB-CE2 4.06Å; Q740-F742 HydrophobicContact CB-CZ 4.12Å; F742-I744 VanDerWaalsContact C-N 3.28Å; F742-I744 PolarHBondContact O-N 3.03Å; F742-P764 WeakPolarHBondContact CA-O 3.29Å; F742-C765 HydrophobicContact CD1-CB 4.27Å; F742-F767 AromaticContact CE1-CE1 3.71Å; F742-F767 HydrophobicContact CE1-CE1 3.71Å; F742-F767 AromaticContact CE1-CZ 3.78Å; F742-F767 HydrophobicContact CE1-CZ 3.78Å; F742-F767 AromaticContact CZ-CE1 3.85Å; F742-F767 HydrophobicContact CZ-CE1 3.85Å; F742-F767 HydrophobicContact CZ-CZ 4.33Å; F742-T796 PolarHBondContact N-O 2.96Å; F742-T796 PolarHBondContact O-N 3.33Å; F742-K798 HydrophobicContact CE2-CB 4.25Å
743S87.8Confident79.1Confident84 Ų8454 Ų5459%0.58730%0.3SS*.EExtended strand (participates in β ladder)trans49.348.4173.6-57.70000112.9Q745 P764S743-Q745 PolarHBondContact O-N 3.08Å; S743-P764 PolarHBondContact N-O 3.18Å
744I89.1Confident80.1Confident0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-74.2117.4-179-55.1164.5000107.4F679 L728 L741 F742 L746 S762 V763 L766 A793 I794 F795F679-I744 HydrophobicContact CE2-CG2 4.04Å; F679-I744 HydrophobicContact CZ-CG2 3.92Å; L728-I744 HydrophobicContact CD2-CD1 3.85Å; L728-I744 HydrophobicContact CD2-CG2 4.5Å; L741-I744 HydrophobicContact CB-CD1 3.94Å; L741-I744 HydrophobicContact CB-CG1 4.17Å; F742-I744 VanDerWaalsContact C-N 3.28Å; F742-I744 PolarHBondContact O-N 3.03Å; I744-L746 HydrophobicContact CG2-CD2 3.89Å; I744-L746 HydrophobicContact CG2-CG 4.33Å; I744-S762 CarbonylContact O-C 3.5Å; I744-S762 WeakPolarHBondContact O-CA 3.13Å; I744-V763 HydrophobicContact CB-CB 4.18Å; I744-V763 PolarHBondContact N-O 3.46Å; I744-V763 PolarHBondContact O-N 3.43Å; I744-L766 HydrophobicContact CD1-CB 3.53Å; I744-A793 HydrophobicContact CG2-CB 4.41Å; I744-I794 CarbonylContact C-O 3.56Å; I744-I794 WeakPolarHBondContact CA-O 3.26Å; I744-F795 HydrophobicContact CB-CB 4.18Å; I744-F795 HydrophobicContact CG1-CB 3.75Å; I744-F795 HydrophobicContact CG2-CB 4.33Å
745Q90.5Very high81Confident90 Ų9047.1 Ų47.142%0.42126%0.258SS..EExtended strand (participates in β ladder)trans-105.7113.5172-174.6170.6-6.200108.2S743 D760 A793 I794S743-Q745 PolarHBondContact O-N 3.08Å; Q745-D760 HydrophobicContact CG-CB 4.1Å; Q745-D760 PolarHBondContact NE2-OD2 3.39Å; Q745-A793 VanDerWaalsContact O-CA 3.31Å; Q745-A793 WeakPolarHBondContact O-CA 3.34Å; Q745-I794 PolarHBondContact N-O 3.08Å; Q745-I794 PolarHBondContact O-N 3.13Å
746L89.6Confident81.7Confident0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-88.4121.8175.5-58175.5000108.4F679 L681 I744 F748 D760 I761 V763 V775 A793 M807F679-L746 HydrophobicContact CE2-CD2 4.16Å; L681-L746 HydrophobicContact CD1-CD1 4.44Å; I744-L746 HydrophobicContact CG2-CD2 3.89Å; I744-L746 HydrophobicContact CG2-CG 4.33Å; L746-F748 HydrophobicContact CB-CE1 4.49Å; L746-F748 HydrophobicContact CB-CE2 3.71Å; L746-F748 HydrophobicContact CB-CZ 3.58Å; L746-F748 HydrophobicContact CD1-CZ 4.13Å; L746-F748 HydrophobicContact CG-CZ 4.49Å; L746-F748 WeakPolarHBondContact O-CE2 3.4Å; L746-D760 VanDerWaalsContact O-CA 3.24Å; L746-D760 WeakPolarHBondContact O-CA 3.33Å; L746-I761 PolarHBondContact N-O 2.74Å; L746-I761 PolarHBondContact O-N 3.39Å; L746-V763 HydrophobicContact CD1-CG2 4.28Å; L746-V775 HydrophobicContact CD1-CG1 4.12Å; L746-V775 HydrophobicContact CD1-CG2 3.99Å; L746-A793 HydrophobicContact CD2-CB 3.73Å; L746-M807 HydrophobicContact CD2-SD 3.9Å
747H90.1Very high82.2Confident85 Ų8552.4 Ų52.439%0.39427%0.273SS..EExtended strand (participates in β ladder)trans-104.6138.2174.2-175.664.4000109.6D760 V791 S792H747-D760 IonicContact CE1-OD1 3.89Å; H747-D760 IonicContact CG-OD1 2.82Å; H747-D760 IonicContact ND1-OD1 3.75Å; H747-D760 PolarHBondContact ND1-OD1 2.84Å; H747-D760 IonicContact ND1-OD2 3.43Å; H747-V791 WeakPolarHBondContact O-CA 2.95Å; H747-S792 PolarHBondContact N-O 3.11Å; H747-S792 PolarHBondContact O-N 3Å
748F88Confident82.9Confident8 Ų852 Ų524%0.03526%0.264CS..EExtended strand (participates in β ladder)trans-123.4123.4-174.9-58.4-81.9000109.1L681 L746 L758 I761 L777 I789 H790 V791 I810L681-F748 HydrophobicContact CD1-CE1 4.46Å; L746-F748 HydrophobicContact CB-CE1 4.49Å; L746-F748 HydrophobicContact CB-CE2 3.71Å; L746-F748 HydrophobicContact CB-CZ 3.58Å; L746-F748 HydrophobicContact CD1-CZ 4.13Å; L746-F748 HydrophobicContact CG-CZ 4.49Å; L746-F748 WeakPolarHBondContact O-CE2 3.4Å; F748-L758 HydrophobicContact CB-CB 3.77Å; F748-L758 HydrophobicContact CB-CD1 3.9Å; F748-L758 HydrophobicContact CD1-CD1 4.34Å; F748-L758 HydrophobicContact CD2-CB 4.33Å; F748-L758 HydrophobicContact CG-CB 4.24Å; F748-L758 HydrophobicContact CG-CD1 4.04Å; F748-I761 HydrophobicContact CE2-CB 4.08Å; F748-I761 HydrophobicContact CE2-CD1 3.87Å; F748-I761 HydrophobicContact CE2-CG1 3.84Å; F748-I761 HydrophobicContact CZ-CD1 4.15Å; F748-L777 HydrophobicContact CD1-CD2 4.17Å; F748-L777 HydrophobicContact CE1-CD2 3.57Å; F748-L777 HydrophobicContact CE2-CD2 4Å; F748-L777 HydrophobicContact CZ-CD2 3.48Å; F748-L777 VanDerWaalsContact CZ-CD2 3.48Å; F748-I789 HydrophobicContact CB-CG2 4.04Å; F748-I789 HydrophobicContact CD1-CG2 3.98Å; F748-I789 HydrophobicContact CG-CG2 4.48Å; F748-H790 WeakPolarHBondContact CA-O 3.16Å; F748-V791 HydrophobicContact CD1-CG1 4.22Å; F748-V791 HydrophobicContact CD1-CG2 3.83Å; F748-V791 HydrophobicContact CE1-CG1 3.88Å; F748-V791 HydrophobicContact CE1-CG2 3.92Å; F748-I810 HydrophobicContact CE1-CD1 4.47Å
749S82.3Confident83.2Confident52 Ų5259.2 Ų59.236%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-122.8133.617355.90000109.6H790S749-H790 PolarHBondContact N-O 2.87Å; S749-H790 WeakPolarHBondContact O-CA 3.48Å; S749-H790 WeakPolarHBondContact O-CB 3.48Å; S749-H790 PolarHBondContact O-N 3.37Å; S749-H790 WeakPolarHBondContact OG-CB 3.42Å
750H77.1Confident83.5Confident42 Ų4258.1 Ų58.119%0.19430%0.295CS..EExtended strand (participates in β ladder)trans-90.7147-177.2-56.8-66.7000111.2D752 E756 L758H750-D752 VanDerWaalsContact C-N 3.31Å; H750-D752 VanDerWaalsContact CB-O 3.29Å; H750-D752 WeakPolarHBondContact CB-O 3.48Å; H750-E756 PolarHBondContact NE2-O 2.84Å; H750-L758 PolarHBondContact NE2-N 3.46Å
751T67.1Low83.8Confident56 Ų5656.8 Ų56.834%0.34429%0.29SS..SBendtrans-76.5-22.416849.20000112.8T788 H790T751-T788 PolarHBondContact N-O 3.49Å; T751-T788 PolarHBondContact OG1-O 2.91Å; T751-T788 VanDerWaalsContact OG1-O 3.06Å; T751-H790 WeakPolarHBondContact CG2-NE2 3.29Å
752D76Confident83.9Confident23 Ų2361.7 Ų61.712%0.12332%0.324CS..SBendtrans-143164.4-171.954.866.5000112.8H750 H754 T787H750-D752 VanDerWaalsContact C-N 3.31Å; H750-D752 VanDerWaalsContact CB-O 3.29Å; H750-D752 WeakPolarHBondContact CB-O 3.48Å; D752-H754 VanDerWaalsContact C-N 3.3Å; D752-H754 PolarHBondContact O-N 2.97Å; D752-H754 WeakPolarHBondContact OD1-CB 3.44Å; D752-H754 IonicContact OD1-CG 3Å; D752-H754 PolarHBondContact OD1-N 3.22Å; D752-H754 IonicContact OD1-ND1 2.69Å; D752-H754 PolarHBondContact OD1-ND1 3.31Å; D752-H754 IonicContact OD2-ND1 2.58Å; D752-T787 WeakPolarHBondContact OD1-CB 3.42Å; D752-T787 PolarHBondContact OD1-OG1 3.33Å; D752-T787 PolarHBondContact OD2-OG1 3.36Å
753D78.2Confident84Confident75 Ų7558.8 Ų58.840%0.40131%0.312SS..THydrogen-bonded Turntrans-93.217.5-176.5-104.231.5000112.2S21 Y755 R782S21-D753 WeakPolarHBondContact OG-CB 3.44Å; D753-Y755 PolarHBondContact O-N 2.71Å; D753-R782 WeakPolarHBondContact O-CD 3.46Å; D753-R782 IonicContact OD2-NH1 3.87Å; D753-R782 PolarHBondContact OD2-NH1 2.96Å
754H80.3Confident83.9Confident35 Ų3559.7 Ų59.716%0.16232%0.315CS..THydrogen-bonded Turntrans-66.5-25179.8-62.6141.6000112.4D752 R782 R783 Y785D752-H754 VanDerWaalsContact C-N 3.3Å; D752-H754 PolarHBondContact O-N 2.97Å; D752-H754 WeakPolarHBondContact OD1-CB 3.44Å; D752-H754 IonicContact OD1-CG 3Å; D752-H754 PolarHBondContact OD1-N 3.22Å; D752-H754 IonicContact OD1-ND1 2.69Å; D752-H754 PolarHBondContact OD1-ND1 3.31Å; D752-H754 IonicContact OD2-ND1 2.58Å; H754-R782 WeakPolarHBondContact O-CA 3.45Å; H754-R782 WeakPolarHBondContact O-CB 3.44Å; H754-R782 PolarHBondContact O-N 3.34Å; H754-R783 PolarHBondContact O-N 3.43Å; H754-Y785 AromaticContact CD2-CD2 3.74Å; H754-Y785 AromaticContact NE2-CD2 3.67Å
755Y82.8Confident83.7Confident4 Ų461.8 Ų61.82%0.01633%0.33CS..BIsolated β-bridgetrans-125.2154.7-179.8-63.3-97.3000110.9D753 L779 K780 P781 Y785 T787 V817D753-Y755 PolarHBondContact O-N 2.71Å; Y755-L779 HydrophobicContact CD1-CB 3.86Å; Y755-L779 HydrophobicContact CD1-CD2 4.33Å; Y755-L779 HydrophobicContact CD1-CG 4.49Å; Y755-L779 HydrophobicContact CE1-CB 4.14Å; Y755-L779 HydrophobicContact CE1-CD1 4.37Å; Y755-K780 CarbonylContact C-O 3.51Å; Y755-K780 WeakPolarHBondContact CA-O 3.48Å; Y755-P781 HydrophobicContact CD1-CB 3.85Å; Y755-P781 HydrophobicContact CE1-CB 3.64Å; Y755-P781 HydrophobicContact CE1-CG 4.4Å; Y755-Y785 VanDerWaalsContact CE2-O 3.24Å; Y755-Y785 WeakPolarHBondContact CE2-O 3.45Å; Y755-Y785 PolarHBondContact OH-O 2.94Å; Y755-T787 HydrophobicContact CD2-CG2 3.4Å; Y755-T787 VanDerWaalsContact CD2-CG2 3.4Å; Y755-T787 HydrophobicContact CE2-CG2 3.26Å; Y755-T787 HydrophobicContact CG-CG2 4.41Å; Y755-V817 WeakPolarHBondContact OH-CG2 3.43Å
756E83.9Confident83.4Confident86 Ų8657.7 Ų57.740%0.40231%0.311SS..PPolyproline II helixtrans-65153.9169.2-65.2-175.6173.800111.3H750 L758 K780 R782H750-E756 PolarHBondContact NE2-O 2.84Å; E756-L758 PolarHBondContact O-N 3.24Å; E756-K780 HydrophobicContact CB-CB 4.14Å; E756-K780 HydrophobicContact CG-CB 4.06Å; E756-K780 PolarHBondContact N-O 3.27Å; E756-K780 WeakPolarHBondContact OE2-CD 3.44Å; E756-K780 IonicContact OE2-NZ 3.53Å; E756-R782 HydrophobicContact CG-CG 4.4Å
757E81.8Confident83.2Confident183 Ų18361.4 Ų61.486%0.85533%0.327SS*.PPolyproline II helixtrans-54.6128.4175.7-72.4-178.3179.200111.1
758L84.4Confident82.6Confident21 Ų2164 Ų6411%0.1133%0.333CS..PPolyproline II helixtrans-79.1136.8176.5-78.2174.5000109.6F748 H750 E756 L777 K778 L779 I789F748-L758 HydrophobicContact CB-CB 3.77Å; F748-L758 HydrophobicContact CB-CD1 3.9Å; F748-L758 HydrophobicContact CD1-CD1 4.34Å; F748-L758 HydrophobicContact CD2-CB 4.33Å; F748-L758 HydrophobicContact CG-CB 4.24Å; F748-L758 HydrophobicContact CG-CD1 4.04Å; H750-L758 PolarHBondContact NE2-N 3.46Å; E756-L758 PolarHBondContact O-N 3.24Å; L758-L777 HydrophobicContact CD1-CD2 4.45Å; L758-K778 WeakPolarHBondContact CD2-O 3.3Å; L758-L779 HydrophobicContact CD1-CD2 3.79Å; L758-L779 HydrophobicContact CD2-CD2 3.85Å; L758-L779 HydrophobicContact CG-CD2 4.08Å; L758-I789 HydrophobicContact CD1-CD1 4.02Å; L758-I789 HydrophobicContact CD1-CG2 4.15Å
759Q84.3Confident81.8Confident171 Ų17173.2 Ų73.280%0.79938%0.376SS*.PPolyproline II helixtrans-76.7147.4171-65.9-176.80.400110.5I761Q759-I761 PolarHBondContact O-N 3.14Å
760D87.3Confident81.2Confident68 Ų6872.5 Ų72.536%0.36438%0.377SS..PPolyproline II helixtrans-57.2137.9174-68.8-3.3000111.2Q745 L746 H747Q745-D760 HydrophobicContact CG-CB 4.1Å; Q745-D760 PolarHBondContact NE2-OD2 3.39Å; L746-D760 VanDerWaalsContact O-CA 3.24Å; L746-D760 WeakPolarHBondContact O-CA 3.33Å; H747-D760 IonicContact CE1-OD1 3.89Å; H747-D760 IonicContact CG-OD1 2.82Å; H747-D760 IonicContact ND1-OD1 3.75Å; H747-D760 PolarHBondContact ND1-OD1 2.84Å; H747-D760 IonicContact ND1-OD2 3.43Å
761I88.3Confident81Confident41 Ų4179.4 Ų79.421%0.2141%0.41CS..EExtended strand (participates in β ladder)trans-107.9123.7178-60.9175000109.2L746 F748 Q759 V763 V775 L777L746-I761 PolarHBondContact N-O 2.74Å; L746-I761 PolarHBondContact O-N 3.39Å; F748-I761 HydrophobicContact CE2-CB 4.08Å; F748-I761 HydrophobicContact CE2-CD1 3.87Å; F748-I761 HydrophobicContact CE2-CG1 3.84Å; F748-I761 HydrophobicContact CZ-CD1 4.15Å; Q759-I761 PolarHBondContact O-N 3.14Å; I761-V763 HydrophobicContact CG2-CG2 4.45Å; I761-V775 HydrophobicContact CD1-CG1 3.7Å; I761-V775 HydrophobicContact CG2-CG1 4.21Å; I761-L777 HydrophobicContact CD1-CD2 3.67Å
762S87.1Confident81.6Confident102 Ų10284 Ų8471%0.71342%0.421SS*.EExtended strand (participates in β ladder)trans-92.4124.3173.657.70000111.3I744I744-S762 CarbonylContact O-C 3.5Å; I744-S762 WeakPolarHBondContact O-CA 3.13Å
763V88.3Confident82Confident8 Ų884.3 Ų84.35%0.04842%0.424CS..EExtended strand (participates in β ladder)trans-110.7120172.2179.80000107.8L728 I744 L746 I761 C765 P773 V775L728-V763 HydrophobicContact CD2-CG1 4.26Å; I744-V763 HydrophobicContact CB-CB 4.18Å; I744-V763 PolarHBondContact N-O 3.46Å; I744-V763 PolarHBondContact O-N 3.43Å; L746-V763 HydrophobicContact CD1-CG2 4.28Å; I761-V763 HydrophobicContact CG2-CG2 4.45Å; V763-C765 PolarHBondContact O-N 2.92Å; V763-P773 HydrophobicContact CG1-CB 3.82Å; V763-P773 HydrophobicContact CG1-CG 3.74Å; V763-V775 HydrophobicContact CG2-CG2 3.87Å
764P84.6Confident82.3Confident103 Ų10384.3 Ų84.367%0.66943%0.427SS*.EExtended strand (participates in β ladder)trans-67.3-38.6-168.824.3-33.7000113.2F742 S743F742-P764 WeakPolarHBondContact CA-O 3.29Å; S743-P764 PolarHBondContact N-O 3.18Å
765C85.3Confident82.6Confident44 Ų4482.8 Ų82.830%0.29742%0.42SS..EExtended strand (participates in β ladder)trans-157.3150.8178.159.30000112.4L741 F742 V763 F767L741-C765 CarbonylContact O-C 3.39Å; L741-C765 WeakPolarHBondContact O-CA 3.29Å; F742-C765 HydrophobicContact CD1-CB 4.27Å; V763-C765 PolarHBondContact O-N 2.92Å; C765-F767 HydrophobicContact CB-CE1 4.27Å; C765-F767 HydrophobicContact CB-CE2 3.98Å; C765-F767 HydrophobicContact CB-CZ 3.77Å
766L85.3Confident82.9Confident5 Ų586.6 Ų86.63%0.02644%0.438CS..EExtended strand (participates in β ladder)trans-128.5124.8168-17770000108.8F679 L728 L741 I744 P773F679-L766 HydrophobicContact CB-CD2 4.15Å; F679-L766 HydrophobicContact CG-CD2 4.45Å; L728-L766 HydrophobicContact CB-CD1 4.31Å; L728-L766 HydrophobicContact CD2-CB 4.39Å; L728-L766 HydrophobicContact CD2-CD1 4.32Å; L728-L766 HydrophobicContact CD2-CD2 3.94Å; L728-L766 HydrophobicContact CD2-CG 4.45Å; L728-L766 HydrophobicContact CG-CD1 4.35Å; L728-L766 HydrophobicContact CG-CD2 3.95Å; L728-L766 WeakPolarHBondContact O-CD1 3.45Å; L741-L766 HydrophobicContact CB-CB 4.32Å; L741-L766 HydrophobicContact CD1-CD2 4.3Å; L741-L766 PolarHBondContact N-O 3.41Å; L741-L766 PolarHBondContact O-N 3.2Å; I744-L766 HydrophobicContact CD1-CB 3.53Å; L766-P773 VanDerWaalsContact CD1-CD 3.43Å; L766-P773 HydrophobicContact CD1-CG 3.78Å
767F85.3Confident83Confident78 Ų7882.5 Ų82.534%0.34242%0.418SS..EExtended strand (participates in β ladder)trans-124.3138.4177.3-56.7-50.7000110.3Q740 F742 C765 Q769 G770Q740-F767 HydrophobicContact CB-CD1 3.86Å; Q740-F767 HydrophobicContact CB-CE1 3.94Å; Q740-F767 HydrophobicContact CG-CD1 3.75Å; Q740-F767 HydrophobicContact CG-CE1 4.09Å; F742-F767 AromaticContact CE1-CE1 3.71Å; F742-F767 HydrophobicContact CE1-CE1 3.71Å; F742-F767 AromaticContact CE1-CZ 3.78Å; F742-F767 HydrophobicContact CE1-CZ 3.78Å; F742-F767 AromaticContact CZ-CE1 3.85Å; F742-F767 HydrophobicContact CZ-CE1 3.85Å; F742-F767 HydrophobicContact CZ-CZ 4.33Å; C765-F767 HydrophobicContact CB-CE1 4.27Å; C765-F767 HydrophobicContact CB-CE2 3.98Å; C765-F767 HydrophobicContact CB-CZ 3.77Å; F767-Q769 VanDerWaalsContact C-N 3.35Å; F767-Q769 PolarHBondContact O-N 3.5Å; F767-G770 PolarHBondContact O-N 3.41Å; F767-G770 VanDerWaalsContact O-N 3.08Å
768R77.1Confident83.2Confident139 Ų13979.7 Ų79.753%0.52540%0.403SS..THydrogen-bonded Turntrans-58.6-40.4-180-170.7174.7-176.4-178.31.2114.4H734 E739H734-R768 PolarHBondContact CD2-NH1 3.14Å; H734-R768 PolarHBondContact CE1-NH1 2.81Å; H734-R768 VanDerWaalsContact CE1-NH1 3.34Å; H734-R768 PolarHBondContact NE2-NH1 3.21Å; E739-R768 PolarHBondContact O-N 2.85Å
769Q71.8Confident83.3Confident201 Ų20178.7 Ų78.794%0.93940%0.398SS*.THydrogen-bonded Turntrans-96.614.8178.6-65.6-175.9-4.600112.9F767F767-Q769 VanDerWaalsContact C-N 3.35Å; F767-Q769 PolarHBondContact O-N 3.5Å
770G68.6Low83.3Confident37 Ų3774.7 Ų74.738%0.38138%0.378SS..SBendtrans-100.3176.2-177.300000114.1F767 R772F767-G770 PolarHBondContact O-N 3.41Å; F767-G770 VanDerWaalsContact O-N 3.08Å; G770-R772 PolarHBondContact O-N 3.27Å
771Q74.1Confident83.1Confident187 Ų18771.8 Ų71.887%0.87436%0.363SS*.PPolyproline II helixtrans-64.7131.1168.9-173.8174.4-4.600109.6P773Q771-P773 WeakPolarHBondContact O-CD 3.27Å
772R79.8Confident82.7Confident153 Ų15376.5 Ų76.558%0.57738%0.378SS*.PPolyproline II helixtrans-67.6117.8177.7-62.5176.3-175.1-1730.9108.9H727 T729 G770 V774H727-R772 HydrophobicContact CB-CB 4.26Å; T729-R772 HydrophobicContact CG2-CG 4.23Å; G770-R772 PolarHBondContact O-N 3.27Å; R772-V774 PolarHBondContact O-N 2.8Å
773P83.4Confident82.4Confident30 Ų3076.4 Ų76.420%0.19536%0.362CS..PPolyproline II helixtrans-67.6137.1179.726.9-29.9000109.3L728 V763 L766 Q771L728-P773 HydrophobicContact CB-CG 3.93Å; L728-P773 HydrophobicContact CD2-CG 4.37Å; L728-P773 PolarHBondContact N-O 2.83Å; L728-P773 VanDerWaalsContact N-O 3.15Å; V763-P773 HydrophobicContact CG1-CB 3.82Å; V763-P773 HydrophobicContact CG1-CG 3.74Å; L766-P773 VanDerWaalsContact CD1-CD 3.43Å; L766-P773 HydrophobicContact CD1-CG 3.78Å; Q771-P773 WeakPolarHBondContact O-CD 3.27Å
774V85.6Confident81.9Confident75 Ų7576.2 Ų76.246%0.45536%0.361SS..EExtended strand (participates in β ladder)trans-93.7117178.4-178.50000108.4K725 Y726 R772K725-V774 HydrophobicContact CB-CG1 4.19Å; Y726-V774 CarbonylContact O-C 3.57Å; Y726-V774 WeakPolarHBondContact O-CA 3.47Å; R772-V774 PolarHBondContact O-N 2.8Å
775V86.5Confident81.9Confident3 Ų372.4 Ų72.42%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-93.2126.4175.11780000108.3L681 K725 Y726 L746 I761 V763 L777L681-V775 HydrophobicContact CD2-CB 4.1Å; L681-V775 HydrophobicContact CD2-CG2 3.95Å; K725-V775 WeakPolarHBondContact CA-O 3.5Å; Y726-V775 PolarHBondContact N-O 2.88Å; Y726-V775 PolarHBondContact O-N 3.25Å; L746-V775 HydrophobicContact CD1-CG1 4.12Å; L746-V775 HydrophobicContact CD1-CG2 3.99Å; I761-V775 HydrophobicContact CD1-CG1 3.7Å; I761-V775 HydrophobicContact CG2-CG1 4.21Å; V763-V775 HydrophobicContact CG2-CG2 3.87Å; V775-L777 HydrophobicContact CG1-CD2 4.38Å
776Q87.9Confident81.8Confident83 Ų8372.6 Ų72.639%0.38833%0.334SS..EExtended strand (participates in β ladder)trans-105.5105.7178-63.8-172.2-12.200109.6V723 L724 K725 K778V723-Q776 HydrophobicContact CG1-CB 4.1Å; V723-Q776 HydrophobicContact CG1-CG 4.49Å; L724-Q776 CarbonylContact O-C 3.58Å; L724-Q776 WeakPolarHBondContact O-CA 3.38Å; K725-Q776 HydrophobicContact CG-CG 4.34Å; Q776-K778 PolarHBondContact O-N 3.45Å
777L85.9Confident81.8Confident0 Ų072.6 Ų72.60%033%0.334CS..EExtended strand (participates in β ladder)trans-82.7115.8174.1-65.2177.7000109.1V723 L724 Y726 F748 L758 I761 V775 I810V723-L777 CarbonylContact C-O 3.55Å; V723-L777 WeakPolarHBondContact CA-O 3.25Å; L724-L777 HydrophobicContact CB-CB 4.36Å; L724-L777 PolarHBondContact N-O 2.88Å; L724-L777 PolarHBondContact O-N 3.03Å; Y726-L777 HydrophobicContact CD2-CD1 3.7Å; Y726-L777 HydrophobicContact CD2-CG 4.15Å; Y726-L777 HydrophobicContact CE2-CD1 3.56Å; Y726-L777 HydrophobicContact CE2-CG 4.34Å; F748-L777 HydrophobicContact CD1-CD2 4.17Å; F748-L777 HydrophobicContact CE1-CD2 3.57Å; F748-L777 HydrophobicContact CE2-CD2 4Å; F748-L777 HydrophobicContact CZ-CD2 3.48Å; F748-L777 VanDerWaalsContact CZ-CD2 3.48Å; L758-L777 HydrophobicContact CD1-CD2 4.45Å; I761-L777 HydrophobicContact CD1-CD2 3.67Å; V775-L777 HydrophobicContact CG1-CD2 4.38Å; L777-I810 HydrophobicContact CD1-CD1 3.65Å
778K87.3Confident81.9Confident124 Ų12470.6 Ų70.654%0.53933%0.329SS..EExtended strand (participates in β ladder)trans-98.187.8-179.9-72-173.7-179.7-175.70109.5L721 V723 L758 Q776L721-K778 HydrophobicContact CD1-CB 3.95Å; L721-K778 HydrophobicContact CD2-CB 4.47Å; L721-K778 HydrophobicContact CD2-CD 4.26Å; L721-K778 HydrophobicContact CD2-CG 4.3Å; L721-K778 HydrophobicContact CG-CB 4.46Å; V723-K778 HydrophobicContact CG2-CG 4.32Å; L758-K778 WeakPolarHBondContact CD2-O 3.3Å; Q776-K778 PolarHBondContact O-N 3.45Å
779L85.1Confident82.3Confident1 Ų164 Ų641%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-83.9133.8-178.8-63.9172.1000110.6L721 I722 L724 Y755 L758 I789 V812L721-L779 WeakPolarHBondContact CA-O 3.37Å; I722-L779 HydrophobicContact CB-CB 4.26Å; I722-L779 PolarHBondContact N-O 3.18Å; I722-L779 PolarHBondContact O-N 2.67Å; L724-L779 HydrophobicContact CD1-CD1 3.53Å; L724-L779 HydrophobicContact CG-CD1 4.05Å; Y755-L779 HydrophobicContact CD1-CB 3.86Å; Y755-L779 HydrophobicContact CD1-CD2 4.33Å; Y755-L779 HydrophobicContact CD1-CG 4.49Å; Y755-L779 HydrophobicContact CE1-CB 4.14Å; Y755-L779 HydrophobicContact CE1-CD1 4.37Å; L758-L779 HydrophobicContact CD1-CD2 3.79Å; L758-L779 HydrophobicContact CD2-CD2 3.85Å; L758-L779 HydrophobicContact CG-CD2 4.08Å; L779-I789 HydrophobicContact CD2-CD1 3.77Å; L779-V812 HydrophobicContact CD1-CG1 4.22Å; L779-V812 HydrophobicContact CD1-CG2 3.89Å
780K85.3Confident83Confident86 Ų8657.7 Ų57.737%0.37427%0.274SS..  trans-115101.2169.9-73178.2173.7-179.20109.2S720 L721 Y755 E756 R782S720-K780 WeakPolarHBondContact O-CA 3.4Å; L721-K780 HydrophobicContact CD1-CD 4.45Å; L721-K780 HydrophobicContact CD1-CG 3.61Å; Y755-K780 CarbonylContact C-O 3.51Å; Y755-K780 WeakPolarHBondContact CA-O 3.48Å; E756-K780 HydrophobicContact CB-CB 4.14Å; E756-K780 HydrophobicContact CG-CB 4.06Å; E756-K780 PolarHBondContact N-O 3.27Å; E756-K780 WeakPolarHBondContact OE2-CD 3.44Å; E756-K780 IonicContact OE2-NZ 3.53Å; K780-R782 PolarHBondContact O-N 3.08Å
781P83Confident84.1Confident8 Ų856.2 Ų56.25%0.05226%0.258CS..BIsolated β-bridgetrans-70.3130.4-18028.2-34.1000110.6I722 Y755 P894I722-P781 HydrophobicContact CD1-CG 3.86Å; Y755-P781 HydrophobicContact CD1-CB 3.85Å; Y755-P781 HydrophobicContact CE1-CB 3.64Å; Y755-P781 HydrophobicContact CE1-CG 4.4Å; P781-P894 HydrophobicContact CG-CB 3.68Å; P781-P894 HydrophobicContact CG-CG 4.44Å; P781-P894 VanDerWaalsContact CG-O 3.24Å; P781-P894 WeakPolarHBondContact CG-O 3.39Å
782R80.3Confident84.8Confident139 Ų13948.5 Ų48.553%0.52523%0.225SC..SBendtrans-79.5-37157.6-66.1179.9173.2179.43.4110.1D753 H754 E756 K780D753-R782 WeakPolarHBondContact O-CD 3.46Å; D753-R782 IonicContact OD2-NH1 3.87Å; D753-R782 PolarHBondContact OD2-NH1 2.96Å; H754-R782 WeakPolarHBondContact O-CA 3.45Å; H754-R782 WeakPolarHBondContact O-CB 3.44Å; H754-R782 PolarHBondContact O-N 3.34Å; E756-R782 HydrophobicContact CG-CG 4.4Å; K780-R782 PolarHBondContact O-N 3.08Å
783R79.6Confident85.3Confident100 Ų10041.2 Ų41.238%0.37720%0.197SC..SBendtrans-135.2133173.8-58.8-176-176.6160.3-0.8108.9H754 Y785H754-R783 PolarHBondContact O-N 3.43Å; R783-Y785 HydrophobicContact CB-CD2 3.67Å; R783-Y785 HydrophobicContact CB-CE2 3.79Å; R783-Y785 HydrophobicContact CB-CG 4.43Å; R783-Y785 HydrophobicContact CG-CE2 4.32Å; R783-Y785 PolarHBondContact O-N 3.5Å
784P79.3Confident85.6Confident4 Ų442.7 Ų42.73%0.02620%0.203CC..  trans-79.853.8-176.330.1-31.5000112.7F814 V817 L893 P894 L921P784-F814 WeakPolarHBondContact O-CE2 3.44Å; P784-V817 HydrophobicContact CB-CG1 3.76Å; P784-L893 HydrophobicContact CB-CB 3.94Å; P784-L893 HydrophobicContact CB-CD2 4.26Å; P784-L893 HydrophobicContact CG-CB 4.04Å; P784-P894 WeakPolarHBondContact CB-O 3.47Å; P784-L921 HydrophobicContact CG-CD1 4.34Å; P784-L921 HydrophobicContact CG-CD2 3.88Å
785Y83.6Confident85.8Confident24 Ų2439.1 Ų39.19%0.09418%0.181CC..  trans-102.7157178.1-60.6-43.6000111.9H754 Y755 R783 R920 L921 H924H754-Y785 AromaticContact CD2-CD2 3.74Å; H754-Y785 AromaticContact NE2-CD2 3.67Å; Y755-Y785 VanDerWaalsContact CE2-O 3.24Å; Y755-Y785 WeakPolarHBondContact CE2-O 3.45Å; Y755-Y785 PolarHBondContact OH-O 2.94Å; R783-Y785 HydrophobicContact CB-CD2 3.67Å; R783-Y785 HydrophobicContact CB-CE2 3.79Å; R783-Y785 HydrophobicContact CB-CG 4.43Å; R783-Y785 HydrophobicContact CG-CE2 4.32Å; R783-Y785 PolarHBondContact O-N 3.5Å; Y785-R920 WeakPolarHBondContact OH-CB 3.44Å; Y785-R920 WeakPolarHBondContact OH-CD 3.42Å; Y785-L921 HydrophobicContact CD1-CD2 3.95Å; Y785-L921 HydrophobicContact CE1-CD2 3.56Å; Y785-H924 AromaticContact CD1-CD2 3.76Å; Y785-H924 AromaticContact CD1-NE2 3.69Å; Y785-H924 AromaticContact CE1-CD2 4Å
786P83.7Confident85.7Confident48 Ų4840.9 Ų40.931%0.31219%0.192SC..  trans-59143.6168.6-22.534.8000111.4V812 F814P786-V812 VanDerWaalsContact CA-O 3.3Å; P786-V812 WeakPolarHBondContact CA-O 3.44Å; P786-V812 WeakPolarHBondContact CB-O 3.43Å; P786-F814 HydrophobicContact CG-CB 3.92Å; P786-F814 HydrophobicContact CG-CD2 4.42Å
787T84.6Confident85.5Confident4 Ų437.1 Ų37.13%0.02517%0.174CC..EExtended strand (participates in β ladder)trans-141.5160.4179.6-173.80000111.2D752 Y755 I789 V812D752-T787 WeakPolarHBondContact OD1-CB 3.42Å; D752-T787 PolarHBondContact OD1-OG1 3.33Å; D752-T787 PolarHBondContact OD2-OG1 3.36Å; Y755-T787 HydrophobicContact CD2-CG2 3.4Å; Y755-T787 VanDerWaalsContact CD2-CG2 3.4Å; Y755-T787 HydrophobicContact CE2-CG2 3.26Å; Y755-T787 HydrophobicContact CG-CG2 4.41Å; T787-I789 HydrophobicContact CG2-CD1 4.46Å; T787-I789 HydrophobicContact CG2-CG1 4.14Å; T787-V812 HydrophobicContact CG2-CB 3.89Å; T787-V812 HydrophobicContact CG2-CG2 3.93Å; T787-V812 PolarHBondContact N-O 2.81Å; T787-V812 PolarHBondContact O-N 2.93Å
788T86.7Confident85Confident36 Ų3643.4 Ų43.422%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-113.9125.8171.1-56.90000109.7T751 D809 I810 H811T751-T788 PolarHBondContact N-O 3.49Å; T751-T788 PolarHBondContact OG1-O 2.91Å; T751-T788 VanDerWaalsContact OG1-O 3.06Å; T788-D809 HydrophobicContact CG2-CB 3.65Å; T788-I810 WeakPolarHBondContact CA-O 3.16Å; T788-H811 VanDerWaalsContact CG2-CE1 3.45Å; T788-H811 WeakPolarHBondContact CG2-CE1 3.35Å; T788-H811 WeakPolarHBondContact CG2-ND1 3.49Å; T788-H811 PolarHBondContact OG1-CE1 3.38Å; T788-H811 PolarHBondContact OG1-ND1 3.24Å
789I87.1Confident84Confident0 Ų040.8 Ų40.80%019%0.194CC..EExtended strand (participates in β ladder)trans-109.1114.6-177.9-52.2172.2000107.6F748 L758 L779 T787 I810 V812F748-I789 HydrophobicContact CB-CG2 4.04Å; F748-I789 HydrophobicContact CD1-CG2 3.98Å; F748-I789 HydrophobicContact CG-CG2 4.48Å; L758-I789 HydrophobicContact CD1-CD1 4.02Å; L758-I789 HydrophobicContact CD1-CG2 4.15Å; L779-I789 HydrophobicContact CD2-CD1 3.77Å; T787-I789 HydrophobicContact CG2-CD1 4.46Å; T787-I789 HydrophobicContact CG2-CG1 4.14Å; I789-I810 HydrophobicContact CB-CB 4.33Å; I789-I810 PolarHBondContact N-O 2.9Å; I789-I810 PolarHBondContact O-N 3.15Å; I789-V812 HydrophobicContact CD1-CG2 3.74Å; I789-V812 HydrophobicContact CG1-CG2 4.39Å
790H86.8Confident83.2Confident70 Ų7042.4 Ų42.432%0.32421%0.211SC..EExtended strand (participates in β ladder)trans-73.8134.2172.3-67.2-59.1000109.8F748 S749 T751 D809F748-H790 WeakPolarHBondContact CA-O 3.16Å; S749-H790 PolarHBondContact N-O 2.87Å; S749-H790 WeakPolarHBondContact O-CA 3.48Å; S749-H790 WeakPolarHBondContact O-CB 3.48Å; S749-H790 PolarHBondContact O-N 3.37Å; S749-H790 WeakPolarHBondContact OG-CB 3.42Å; T751-H790 WeakPolarHBondContact CG2-NE2 3.29Å; H790-D809 IonicContact CE1-OD1 3.61Å; H790-D809 IonicContact CE1-OD2 3.37Å; H790-D809 PolarHBondContact CE1-OD2 3.12Å; H790-D809 IonicContact CG-OD1 2.86Å; H790-D809 IonicContact ND1-OD1 3.79Å; H790-D809 PolarHBondContact ND1-OD1 2.88Å; H790-D809 IonicContact ND1-OD2 3.98Å; H790-D809 PolarHBondContact ND1-OD2 3.45Å
791V89.9Confident82.7Confident6 Ų639.6 Ų39.64%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-122.6126.9-177.1-170.60000110L681 H747 F748 M807 I810L681-V791 HydrophobicContact CD1-CG1 4.34Å; H747-V791 WeakPolarHBondContact O-CA 2.95Å; F748-V791 HydrophobicContact CD1-CG1 4.22Å; F748-V791 HydrophobicContact CD1-CG2 3.83Å; F748-V791 HydrophobicContact CE1-CG1 3.88Å; F748-V791 HydrophobicContact CE1-CG2 3.92Å; V791-M807 HydrophobicContact CB-CB 4.14Å; V791-M807 HydrophobicContact CG1-CB 4.3Å; V791-M807 HydrophobicContact CG1-CE 4.26Å; V791-M807 HydrophobicContact CG1-SD 3.76Å; V791-M807 WeakPolarHBondContact O-CB 3.04Å; V791-M807 PolarHBondContact O-N 3.32Å; V791-I810 HydrophobicContact CG2-CD1 3.69Å; V791-I810 HydrophobicContact CG2-CG1 3.79Å
792S90.1Very high82.8Confident25 Ų2541 Ų4118%0.17521%0.208CC..EExtended strand (participates in β ladder)trans-123.8156.7167.464.90000109.9H747H747-S792 PolarHBondContact N-O 3.11Å; H747-S792 PolarHBondContact O-N 3Å
793A90.3Very high83Confident0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-136.2134.9-179.200000111.6F679 I744 Q745 L746 H804 T805 M807F679-A793 HydrophobicContact CE2-CB 3.45Å; F679-A793 VanDerWaalsContact CE2-CB 3.45Å; F679-A793 HydrophobicContact CZ-CB 3.47Å; F679-A793 VanDerWaalsContact CZ-CB 3.47Å; I744-A793 HydrophobicContact CG2-CB 4.41Å; Q745-A793 VanDerWaalsContact O-CA 3.31Å; Q745-A793 WeakPolarHBondContact O-CA 3.34Å; L746-A793 HydrophobicContact CD2-CB 3.73Å; A793-H804 WeakPolarHBondContact O-CA 3.44Å; A793-T805 HydrophobicContact CB-CG2 4Å; A793-T805 PolarHBondContact N-O 2.93Å; A793-T805 PolarHBondContact O-N 3.01Å; A793-M807 HydrophobicContact CB-SD 3.84Å
794I89.4Confident83.5Confident61 Ų6134.5 Ų34.531%0.31319%0.186SC..EExtended strand (participates in β ladder)trans-106.3128.4167.9-59.9175.8000107.3I744 Q745 T802 W803I744-I794 CarbonylContact C-O 3.56Å; I744-I794 WeakPolarHBondContact CA-O 3.26Å; Q745-I794 PolarHBondContact N-O 3.08Å; Q745-I794 PolarHBondContact O-N 3.13Å; I794-T802 HydrophobicContact CG2-CG2 3.52Å; I794-W803 VanDerWaalsContact CA-O 3.29Å; I794-W803 WeakPolarHBondContact CA-O 3.4Å
795F88.8Confident83.9Confident0 Ų034.3 Ų34.30%019%0.185CC..EExtended strand (participates in β ladder)trans-147.7161.3-178.865.5-87000111.5I678 F679 F738 L741 I744 T802 W803 T805I678-F795 HydrophobicContact CD1-CE1 4.18Å; I678-F795 HydrophobicContact CD1-CE2 4.49Å; I678-F795 HydrophobicContact CD1-CZ 3.52Å; F679-F795 AromaticContact CE1-CD1 3.49Å; F679-F795 HydrophobicContact CE1-CD1 3.49Å; F679-F795 VanDerWaalsContact CE1-CD1 3.49Å; F679-F795 AromaticContact CE1-CE1 3.6Å; F679-F795 HydrophobicContact CE1-CE1 3.6Å; F679-F795 AromaticContact CE1-CG 4Å; F679-F795 HydrophobicContact CE1-CG 4Å; F679-F795 HydrophobicContact CE1-CZ 4.2Å; F679-F795 AromaticContact CZ-CD1 3.56Å; F679-F795 HydrophobicContact CZ-CD1 3.56Å; F679-F795 HydrophobicContact CZ-CE1 4.02Å; F679-F795 HydrophobicContact CZ-CG 4.19Å; F738-F795 AromaticContact CD1-CE2 3.74Å; F738-F795 HydrophobicContact CD1-CE2 3.74Å; F738-F795 HydrophobicContact CD1-CZ 4.05Å; F738-F795 AromaticContact CE1-CE2 3.84Å; F738-F795 HydrophobicContact CE1-CE2 3.84Å; F738-F795 AromaticContact CE1-CZ 3.95Å; F738-F795 HydrophobicContact CE1-CZ 3.95Å; L741-F795 HydrophobicContact CB-CD2 4.35Å; L741-F795 HydrophobicContact CD1-CD2 4.26Å; L741-F795 HydrophobicContact CD1-CE2 4.39Å; L741-F795 HydrophobicContact CD2-CD2 3.68Å; L741-F795 HydrophobicContact CD2-CE2 3.58Å; L741-F795 HydrophobicContact CG-CD2 4.32Å; I744-F795 HydrophobicContact CB-CB 4.18Å; I744-F795 HydrophobicContact CG1-CB 3.75Å; I744-F795 HydrophobicContact CG2-CB 4.33Å; F795-T802 WeakPolarHBondContact O-CA 3.22Å; F795-W803 HydrophobicContact CD1-CB 4.39Å; F795-W803 HydrophobicContact CD2-CB 4.4Å; F795-W803 HydrophobicContact CE1-CB 3.79Å; F795-W803 HydrophobicContact CE2-CB 3.8Å; F795-W803 HydrophobicContact CE2-CG 4.13Å; F795-W803 HydrophobicContact CZ-CB 3.45Å; F795-W803 VanDerWaalsContact CZ-CB 3.45Å; F795-W803 HydrophobicContact CZ-CG 4.07Å; F795-W803 PolarHBondContact N-O 2.81Å; F795-W803 PolarHBondContact O-N 3.08Å; F795-T805 HydrophobicContact CD1-CG2 4.16Å; F795-T805 HydrophobicContact CE1-CG2 3.65Å
796T86.1Confident84.1Confident40 Ų4036.2 Ų36.225%0.24521%0.206CC..EExtended strand (participates in β ladder)trans-105.6125.8175.9-48.60000109.5F742 L801F742-T796 PolarHBondContact N-O 2.96Å; F742-T796 PolarHBondContact O-N 3.33Å; T796-L801 WeakPolarHBondContact CA-O 3.39Å
797S83.3Confident84.3Confident3 Ų334.5 Ų34.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-77.7167.7172.775.10000110.7D799 G800 L801 W803S797-D799 PolarHBondContact O-N 3.2Å; S797-D799 PolarHBondContact OG-N 3.06Å; S797-G800 PolarHBondContact O-N 2.85Å; S797-L801 PolarHBondContact N-O 3.48Å; S797-W803 PolarHBondContact OG-NE1 3.43Å
798K75.1Confident84.3Confident133 Ų13337.7 Ų37.758%0.57821%0.214SC*.THydrogen-bonded Turntrans-53.2-23.4173-171-179.7-175.2167.50114.1Q740 F742 G800Q740-K798 HydrophobicContact CB-CB 4.43Å; Q740-K798 PolarHBondContact O-N 3.26Å; F742-K798 HydrophobicContact CE2-CB 4.25Å; K798-G800 PolarHBondContact O-N 2.99Å
799D66.5Low84.3Confident68 Ų6839.1 Ų39.136%0.36422%0.22SC..THydrogen-bonded Turntrans-83.50.2-178.6-52.8-38000113.1R653 S797 L801R653-D799 PolarHBondContact NH1-O 2.97Å; S797-D799 PolarHBondContact O-N 3.2Å; S797-D799 PolarHBondContact OG-N 3.06Å; D799-L801 VanDerWaalsContact C-N 3.3Å; D799-L801 PolarHBondContact O-N 3.42Å
800G67.4Low84.3Confident36 Ų3639.6 Ų39.637%0.37122%0.223SC..SBendtrans78.69.8178.200000114.3S797 K798S797-G800 PolarHBondContact O-N 2.85Å; K798-G800 PolarHBondContact O-N 2.99Å
801L76.4Confident84.3Confident27 Ų2742.3 Ų42.314%0.14124%0.235CC..  trans-88142.5175.4-65.9176000110.5N667 T796 S797 D799 W803N667-L801 HydrophobicContact CB-CD2 4.48Å; T796-L801 WeakPolarHBondContact CA-O 3.39Å; S797-L801 PolarHBondContact N-O 3.48Å; D799-L801 VanDerWaalsContact C-N 3.3Å; D799-L801 PolarHBondContact O-N 3.42Å; L801-W803 HydrophobicContact CD1-CZ2 4Å; L801-W803 VanDerWaalsContact O-CD1 3.31Å
802T83.9Confident84Confident36 Ų3642.1 Ų42.122%0.22123%0.234CC..EExtended strand (participates in β ladder)trans-93.6124.4174.7-52.60000109.3I671 H672 I794 F795I671-T802 HydrophobicContact CG1-CG2 4.33Å; H672-T802 PolarHBondContact N-O 2.89Å; I794-T802 HydrophobicContact CG2-CG2 3.52Å; F795-T802 WeakPolarHBondContact O-CA 3.22Å
803W85.1Confident83.8Confident50 Ų5042.9 Ų42.919%0.18924%0.242CC..EExtended strand (participates in β ladder)trans-117.4148.7-177.5-64.687.3000110.6H672 T674 F738 I794 F795 S797 L801H672-W803 HydrophobicContact CB-CD2 3.86Å; H672-W803 HydrophobicContact CB-CE3 3.4Å; H672-W803 VanDerWaalsContact CB-CE3 3.4Å; H672-W803 HydrophobicContact CB-CH2 4.06Å; H672-W803 HydrophobicContact CB-CZ2 4.45Å; H672-W803 HydrophobicContact CB-CZ3 3.52Å; H672-W803 CarbonylContact O-C 3.4Å; H672-W803 VanDerWaalsContact O-CA 3.29Å; H672-W803 WeakPolarHBondContact O-CA 3.28Å; T674-W803 HydrophobicContact CG2-CB 4.25Å; T674-W803 HydrophobicContact CG2-CD2 4.33Å; T674-W803 HydrophobicContact CG2-CE3 3.65Å; T674-W803 HydrophobicContact CG2-CZ3 4.41Å; F738-W803 AromaticContact CE1-CD1 3.96Å; F738-W803 HydrophobicContact CE1-CD2 4.02Å; F738-W803 AromaticContact CE1-CE2 3.94Å; F738-W803 HydrophobicContact CE1-CG 4.05Å; F738-W803 AromaticContact CE1-NE1 3.88Å; F738-W803 HydrophobicContact CZ-CD2 4.03Å; F738-W803 AromaticContact CZ-CE2 3.98Å; F738-W803 HydrophobicContact CZ-CE3 4.3Å; F738-W803 HydrophobicContact CZ-CH2 4.46Å; F738-W803 HydrophobicContact CZ-CZ2 4.21Å; I794-W803 VanDerWaalsContact CA-O 3.29Å; I794-W803 WeakPolarHBondContact CA-O 3.4Å; F795-W803 HydrophobicContact CD1-CB 4.39Å; F795-W803 HydrophobicContact CD2-CB 4.4Å; F795-W803 HydrophobicContact CE1-CB 3.79Å; F795-W803 HydrophobicContact CE2-CB 3.8Å; F795-W803 HydrophobicContact CE2-CG 4.13Å; F795-W803 HydrophobicContact CZ-CB 3.45Å; F795-W803 VanDerWaalsContact CZ-CB 3.45Å; F795-W803 HydrophobicContact CZ-CG 4.07Å; F795-W803 PolarHBondContact N-O 2.81Å; F795-W803 PolarHBondContact O-N 3.08Å; S797-W803 PolarHBondContact OG-NE1 3.43Å; L801-W803 HydrophobicContact CD1-CZ2 4Å; L801-W803 VanDerWaalsContact O-CD1 3.31Å
804H89.4Confident83.5Confident53 Ų5343.7 Ų43.725%0.24525%0.246CC..EExtended strand (participates in β ladder)trans-115.3127.1168.7172.5-86.2000109.5I671 H672 T674 A793I671-H804 HydrophobicContact CG2-CB 3.44Å; I671-H804 VanDerWaalsContact CG2-CB 3.44Å; H672-H804 PolarHBondContact O-N 2.9Å; T674-H804 PolarHBondContact N-O 2.89Å; T674-H804 VanDerWaalsContact N-O 3.1Å; T674-H804 PolarHBondContact OG1-O 3.29Å; A793-H804 WeakPolarHBondContact O-CA 3.44Å
805T88.8Confident83.2Confident1 Ų144.9 Ų44.91%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-128.3134.4177.4-162.90000110.4T674 F679 A793 F795 M807T674-T805 VanDerWaalsContact OG1-CA 3.32Å; T674-T805 WeakPolarHBondContact OG1-CA 3.44Å; T674-T805 WeakPolarHBondContact OG1-CB 3.37Å; T674-T805 PolarHBondContact OG1-OG1 3.34Å; F679-T805 HydrophobicContact CE1-CG2 3.99Å; F679-T805 HydrophobicContact CE2-CG2 4.3Å; F679-T805 HydrophobicContact CZ-CG2 3.79Å; A793-T805 HydrophobicContact CB-CG2 4Å; A793-T805 PolarHBondContact N-O 2.93Å; A793-T805 PolarHBondContact O-N 3.01Å; F795-T805 HydrophobicContact CD1-CG2 4.16Å; F795-T805 HydrophobicContact CE1-CG2 3.65Å; T805-M807 HydrophobicContact CG2-CG 4.41Å
806A87.5Confident82.7Confident64 Ų6446.3 Ų46.353%0.52926%0.257SS..EExtended strand (participates in β ladder)trans-83.9133.516900000108.6P677P677-A806 WeakPolarHBondContact CB-O 3.07Å
807M86.4Confident82.6Confident12 Ų1244.4 Ų44.46%0.05925%0.245CC..  trans-107.2162.8-177.7-64.4175.957.500110.9F679 L681 L728 L746 V791 A793 T805F679-M807 HydrophobicContact CD2-CE 3.82Å; F679-M807 HydrophobicContact CD2-CG 4.45Å; F679-M807 HydrophobicContact CD2-SD 3.69Å; F679-M807 HydrophobicContact CE2-CE 4.22Å; F679-M807 HydrophobicContact CE2-CG 4.42Å; F679-M807 HydrophobicContact CE2-SD 3.51Å; F679-M807 VanDerWaalsContact CE2-SD 3.51Å; L681-M807 HydrophobicContact CD1-CE 4.09Å; L681-M807 HydrophobicContact CG-CE 3.85Å; L728-M807 HydrophobicContact CD1-CE 4.09Å; L746-M807 HydrophobicContact CD2-SD 3.9Å; V791-M807 HydrophobicContact CB-CB 4.14Å; V791-M807 HydrophobicContact CG1-CB 4.3Å; V791-M807 HydrophobicContact CG1-CE 4.26Å; V791-M807 HydrophobicContact CG1-SD 3.76Å; V791-M807 WeakPolarHBondContact O-CB 3.04Å; V791-M807 PolarHBondContact O-N 3.32Å; A793-M807 HydrophobicContact CB-SD 3.84Å; T805-M807 HydrophobicContact CG2-CG 4.41Å
808P85.1Confident82.6Confident71 Ų7144.6 Ų44.646%0.46125%0.245SC..PPolyproline II helixtrans-59.4140.3170-21.933.6000111.6H680H680-P808 HydrophobicContact CB-CG 4.13Å
809D87Confident82.9Confident65 Ų6539.8 Ų39.835%0.34823%0.226SC..PPolyproline II helixtrans-65.9146-179-61.7-25.3000112T788 H790T788-D809 HydrophobicContact CG2-CB 3.65Å; H790-D809 IonicContact CE1-OD1 3.61Å; H790-D809 IonicContact CE1-OD2 3.37Å; H790-D809 PolarHBondContact CE1-OD2 3.12Å; H790-D809 IonicContact CG-OD1 2.86Å; H790-D809 IonicContact ND1-OD1 3.79Å; H790-D809 PolarHBondContact ND1-OD1 2.88Å; H790-D809 IonicContact ND1-OD2 3.98Å; H790-D809 PolarHBondContact ND1-OD2 3.45Å
810I86.4Confident83.5Confident10 Ų1039 Ų395%0.05122%0.224CC..EExtended strand (participates in β ladder)trans-94.8116.8175.2-58175.7000108.7L681 Y726 F748 L777 T788 I789 V791L681-I810 HydrophobicContact CB-CD1 4.43Å; L681-I810 HydrophobicContact CD1-CD1 3.67Å; Y726-I810 HydrophobicContact CE1-CG2 4.12Å; Y726-I810 HydrophobicContact CE2-CG2 4.37Å; Y726-I810 VanDerWaalsContact OH-CG2 3.25Å; Y726-I810 WeakPolarHBondContact OH-CG2 3.29Å; F748-I810 HydrophobicContact CE1-CD1 4.47Å; L777-I810 HydrophobicContact CD1-CD1 3.65Å; T788-I810 WeakPolarHBondContact CA-O 3.16Å; I789-I810 HydrophobicContact CB-CB 4.33Å; I789-I810 PolarHBondContact N-O 2.9Å; I789-I810 PolarHBondContact O-N 3.15Å; V791-I810 HydrophobicContact CG2-CD1 3.69Å; V791-I810 HydrophobicContact CG2-CG1 3.79Å
811H86.6Confident84.1Confident127 Ų12738.3 Ų38.359%0.58821%0.212SC*.EExtended strand (participates in β ladder)trans-92.5114.4172.1-58.9-68.9000110.1T788 A813T788-H811 VanDerWaalsContact CG2-CE1 3.45Å; T788-H811 WeakPolarHBondContact CG2-CE1 3.35Å; T788-H811 WeakPolarHBondContact CG2-ND1 3.49Å; T788-H811 PolarHBondContact OG1-CE1 3.38Å; T788-H811 PolarHBondContact OG1-ND1 3.24Å; H811-A813 PolarHBondContact O-N 2.88Å
812V85.6Confident83.8Confident3 Ų338.4 Ų38.42%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-83.9107.6172.8-178.70000108L724 L779 P786 T787 I789 V817L724-V812 HydrophobicContact CD1-CG1 4.16Å; L724-V812 HydrophobicContact CD1-CG2 4Å; L779-V812 HydrophobicContact CD1-CG1 4.22Å; L779-V812 HydrophobicContact CD1-CG2 3.89Å; P786-V812 VanDerWaalsContact CA-O 3.3Å; P786-V812 WeakPolarHBondContact CA-O 3.44Å; P786-V812 WeakPolarHBondContact CB-O 3.43Å; T787-V812 HydrophobicContact CG2-CB 3.89Å; T787-V812 HydrophobicContact CG2-CG2 3.93Å; T787-V812 PolarHBondContact N-O 2.81Å; T787-V812 PolarHBondContact O-N 2.93Å; I789-V812 HydrophobicContact CD1-CG2 3.74Å; I789-V812 HydrophobicContact CG1-CG2 4.39Å; V812-V817 HydrophobicContact CG1-CG2 4.39Å
813A84.5Confident83.1Confident41 Ų4138.2 Ų38.234%0.33922%0.217SC..  trans-77.2152.5179.700000111.4H811 Q815 Q816H811-A813 PolarHBondContact O-N 2.88Å; A813-Q815 VanDerWaalsContact C-N 3.26Å; A813-Q815 HydrophobicContact CB-CG 4.24Å; A813-Q815 PolarHBondContact O-N 3.31Å; A813-Q815 VanDerWaalsContact O-N 3.17Å; A813-Q816 WeakPolarHBondContact O-CB 3.39Å; A813-Q816 PolarHBondContact O-N 3.1Å
814F84.4Confident82.3Confident16 Ų1637.4 Ų37.47%0.0722%0.218CC..G310 helixtrans-53.9-40.8-178.8-169.9-126.3000113.4P784 P786 Q816 V817 F818 L893 I899 L921 H924 M925P784-F814 WeakPolarHBondContact O-CE2 3.44Å; P786-F814 HydrophobicContact CG-CB 3.92Å; P786-F814 HydrophobicContact CG-CD2 4.42Å; F814-Q816 PolarHBondContact O-N 3.13Å; F814-V817 WeakPolarHBondContact O-CB 3.15Å; F814-V817 PolarHBondContact O-N 3.49Å; F814-V817 VanDerWaalsContact O-N 3.13Å; F814-F818 AromaticContact CD1-CE1 3.68Å; F814-F818 HydrophobicContact CD1-CE1 3.68Å; F814-F818 AromaticContact CD1-CZ 3.68Å; F814-F818 HydrophobicContact CD1-CZ 3.68Å; F814-F818 AromaticContact CE1-CE1 3.61Å; F814-F818 HydrophobicContact CE1-CE1 3.61Å; F814-F818 AromaticContact CE1-CZ 3.78Å; F814-F818 HydrophobicContact CE1-CZ 3.78Å; F814-F818 HydrophobicContact CE2-CE1 4.44Å; F814-F818 HydrophobicContact CG-CE1 4.14Å; F814-F818 HydrophobicContact CG-CZ 4.44Å; F814-F818 HydrophobicContact CZ-CE1 4.01Å; F814-F818 WeakPolarHBondContact O-CD1 3.29Å; F814-F818 VanDerWaalsContact O-CE1 3.32Å; F814-F818 WeakPolarHBondContact O-CE1 3.39Å; F814-L893 HydrophobicContact CE2-CD1 4.48Å; F814-L893 HydrophobicContact CZ-CD1 4.22Å; F814-I899 HydrophobicContact CZ-CD1 4.29Å; F814-L921 HydrophobicContact CE2-CD2 4.16Å; F814-L921 HydrophobicContact CZ-CD2 4.41Å; F814-H924 HydrophobicContact CD1-CB 3.91Å; F814-H924 HydrophobicContact CD2-CB 4.03Å; F814-H924 HydrophobicContact CE1-CB 3.83Å; F814-H924 HydrophobicContact CE2-CB 3.96Å; F814-H924 HydrophobicContact CG-CB 4.02Å; F814-H924 HydrophobicContact CZ-CB 3.86Å; F814-M925 HydrophobicContact CE1-CB 4.02Å; F814-M925 HydrophobicContact CE1-CE 3.73Å; F814-M925 HydrophobicContact CE1-SD 4.12Å; F814-M925 HydrophobicContact CZ-CE 4.32Å
815Q82Confident81.1Confident87 Ų8740.9 Ų40.941%0.40725%0.245SC..G310 helixtrans-62.4-25179.669.8-176.43.600114.3A813 V817 F818 Y928A813-Q815 VanDerWaalsContact C-N 3.26Å; A813-Q815 HydrophobicContact CB-CG 4.24Å; A813-Q815 PolarHBondContact O-N 3.31Å; A813-Q815 VanDerWaalsContact O-N 3.17Å; Q815-V817 PolarHBondContact O-N 2.97Å; Q815-F818 HydrophobicContact CB-CD2 4.43Å; Q815-F818 HydrophobicContact CB-CE2 4.16Å; Q815-F818 WeakPolarHBondContact O-CG 3.35Å; Q815-F818 PolarHBondContact O-N 3.43Å; Q815-Y928 HydrophobicContact CB-CD2 4.06Å; Q815-Y928 HydrophobicContact CB-CE2 3.55Å; Q815-Y928 HydrophobicContact CG-CE2 4.45Å
816Q80.1Confident79.9Confident29 Ų2946.7 Ų46.714%0.13628%0.281CS..G310 helixtrans-78.9-9.5-179-68.6169.9-39.200112.1E683 L724 A813 F814E683-Q816 PolarHBondContact OE1-NE2 2.85Å; E683-Q816 PolarHBondContact OE2-NE2 3.37Å; L724-Q816 HydrophobicContact CD2-CB 3.99Å; A813-Q816 WeakPolarHBondContact O-CB 3.39Å; A813-Q816 PolarHBondContact O-N 3.1Å; F814-Q816 PolarHBondContact O-N 3.13Å
817V82.9Confident79.2Confident0 Ų045.9 Ų45.90%026%0.264CS..G310 helixtrans-87.2-14.1177.1-170.70000111.2I722 Y755 P784 V812 F814 Q815 L819 L893I722-V817 HydrophobicContact CD1-CB 4.2Å; I722-V817 HydrophobicContact CD1-CG1 3.57Å; Y755-V817 WeakPolarHBondContact OH-CG2 3.43Å; P784-V817 HydrophobicContact CB-CG1 3.76Å; V812-V817 HydrophobicContact CG1-CG2 4.39Å; F814-V817 WeakPolarHBondContact O-CB 3.15Å; F814-V817 PolarHBondContact O-N 3.49Å; F814-V817 VanDerWaalsContact O-N 3.13Å; Q815-V817 PolarHBondContact O-N 2.97Å; V817-L819 PolarHBondContact O-N 3.45Å; V817-L893 HydrophobicContact CB-CD2 4.02Å; V817-L893 HydrophobicContact CG1-CD2 3.67Å
818F84.4Confident78.6Confident7 Ų748.1 Ų48.13%0.03128%0.281CS..  trans-70.3122.2-175.1-60.3-8.5000111F814 Q815 F875 L891 L893 M925 Y928F814-F818 AromaticContact CD1-CE1 3.68Å; F814-F818 HydrophobicContact CD1-CE1 3.68Å; F814-F818 AromaticContact CD1-CZ 3.68Å; F814-F818 HydrophobicContact CD1-CZ 3.68Å; F814-F818 AromaticContact CE1-CE1 3.61Å; F814-F818 HydrophobicContact CE1-CE1 3.61Å; F814-F818 AromaticContact CE1-CZ 3.78Å; F814-F818 HydrophobicContact CE1-CZ 3.78Å; F814-F818 HydrophobicContact CE2-CE1 4.44Å; F814-F818 HydrophobicContact CG-CE1 4.14Å; F814-F818 HydrophobicContact CG-CZ 4.44Å; F814-F818 HydrophobicContact CZ-CE1 4.01Å; F814-F818 WeakPolarHBondContact O-CD1 3.29Å; F814-F818 VanDerWaalsContact O-CE1 3.32Å; F814-F818 WeakPolarHBondContact O-CE1 3.39Å; Q815-F818 HydrophobicContact CB-CD2 4.43Å; Q815-F818 HydrophobicContact CB-CE2 4.16Å; Q815-F818 WeakPolarHBondContact O-CG 3.35Å; Q815-F818 PolarHBondContact O-N 3.43Å; F818-F875 HydrophobicContact CB-CE1 3.95Å; F818-F875 HydrophobicContact CB-CE2 4.28Å; F818-F875 HydrophobicContact CB-CZ 3.64Å; F818-L891 HydrophobicContact CB-CD2 4.2Å; F818-L891 HydrophobicContact CD2-CD1 4.37Å; F818-L891 HydrophobicContact CD2-CD2 4.05Å; F818-L891 HydrophobicContact CE2-CD1 4.31Å; F818-L891 HydrophobicContact CG-CD2 4.17Å; F818-L893 HydrophobicContact CD1-CD2 3.72Å; F818-L893 HydrophobicContact CE1-CD2 4.16Å; F818-M925 HydrophobicContact CE1-CE 3.84Å; F818-M925 HydrophobicContact CE2-CE 4.28Å; F818-M925 HydrophobicContact CZ-CE 3.53Å; F818-M925 HydrophobicContact CZ-SD 3.95Å; F818-Y928 HydrophobicContact CE2-CD1 4.09Å; F818-Y928 AromaticContact CE2-CE1 3.75Å; F818-Y928 HydrophobicContact CE2-CE1 3.75Å; F818-Y928 HydrophobicContact CE2-CE2 4.48Å; F818-Y928 AromaticContact CE2-CZ 3.95Å; F818-Y928 HydrophobicContact CZ-CD1 4.22Å; F818-Y928 HydrophobicContact CZ-CE1 4.34Å; F818-Y928 HydrophobicContact CZ-CG 4.47Å
819L80.4Confident78Confident32 Ų3249.3 Ų49.317%0.16829%0.291CS..BIsolated β-bridgetrans-115.1146.9171.4-64-178.8000110.5I722 V817 F892 P894I722-L819 HydrophobicContact CG1-CD1 4.4Å; V817-L819 PolarHBondContact O-N 3.45Å; L819-F892 HydrophobicContact CB-CB 4.45Å; L819-F892 HydrophobicContact CB-CD1 4.19Å; L819-F892 HydrophobicContact CD1-CD1 4.42Å; L819-F892 PolarHBondContact N-O 3.43Å; L819-F892 WeakPolarHBondContact O-CB 3.34Å; L819-F892 PolarHBondContact O-N 3.16Å; L819-P894 HydrophobicContact CD1-CG 3.52Å; L819-P894 HydrophobicContact CG-CG 4.38Å
820P79.7Confident77.3Confident51 Ų5147.9 Ų47.933%0.33129%0.288SS..  trans-62.8160.5166.929.4-34.5000109.9P822 F875P820-P822 VanDerWaalsContact O-CD 3.3Å; P820-P822 WeakPolarHBondContact O-CD 3.3Å; P820-P822 VanDerWaalsContact O-N 3.09Å; P820-F875 HydrophobicContact CB-CD1 4.3Å
821L79.3Confident76.7Confident23 Ų2348.5 Ų48.512%0.1229%0.293CS..  trans-51.2120.6175-174.472000109.3Y709 A823 W827 I832 V835 L890Y709-L821 HydrophobicContact CE1-CD1 4.27Å; Y709-L821 HydrophobicContact CE2-CD1 3.71Å; Y709-L821 HydrophobicContact CE2-CG 4.4Å; Y709-L821 WeakPolarHBondContact OH-CD1 3.26Å; L821-A823 HydrophobicContact CD2-CB 4.43Å; L821-A823 PolarHBondContact O-N 3.44Å; L821-W827 HydrophobicContact CD2-CZ3 4.3Å; L821-I832 HydrophobicContact CD2-CB 4.42Å; L821-I832 HydrophobicContact CD2-CG1 4.34Å; L821-I832 HydrophobicContact CD2-CG2 3.69Å; L821-V835 HydrophobicContact CD2-CG1 4.44Å; L821-L890 HydrophobicContact CB-CD2 4.02Å; L821-L890 HydrophobicContact CD1-CD1 3.94Å; L821-L890 HydrophobicContact CD1-CD2 3.68Å; L821-L890 HydrophobicContact CD1-CG 4.49Å; L821-L890 HydrophobicContact CG-CD2 4.43Å
822P71.3Confident76.3Confident28 Ų2844.6 Ų44.618%0.18228%0.276CS..  trans-72.382.1176.128.7-33.4000109Y709 F718 A719 P820 F892Y709-P822 HydrophobicContact CE2-CG 4.36Å; F718-P822 HydrophobicContact CE1-CB 4.09Å; F718-P822 HydrophobicContact CE1-CG 3.63Å; F718-P822 HydrophobicContact CZ-CB 3.8Å; F718-P822 HydrophobicContact CZ-CG 3.81Å; A719-P822 HydrophobicContact CB-CB 3.74Å; A719-P822 HydrophobicContact CB-CG 3.79Å; P820-P822 VanDerWaalsContact O-CD 3.3Å; P820-P822 WeakPolarHBondContact O-CD 3.3Å; P820-P822 VanDerWaalsContact O-N 3.09Å; P822-F892 HydrophobicContact CG-CD1 3.92Å; P822-F892 HydrophobicContact CG-CD2 4.43Å; P822-F892 HydrophobicContact CG-CE1 4.04Å; P822-F892 HydrophobicContact CG-CG 4.13Å; P822-F892 HydrophobicContact CG-CZ 4.34Å
823A68.2Low76Confident33 Ų3349 Ų4927%0.27329%0.293SS..  trans-97140.9-179.900000110.8L821 W827 I832L821-A823 HydrophobicContact CD2-CB 4.43Å; L821-A823 PolarHBondContact O-N 3.44Å; A823-W827 HydrophobicContact CB-CD2 4.3Å; A823-W827 HydrophobicContact CB-CE3 3.66Å; A823-W827 HydrophobicContact CB-CZ3 4.18Å; A823-I832 HydrophobicContact CB-CD1 4.43Å; A823-I832 HydrophobicContact CB-CG1 4.41Å
824P69.3Low75.8Confident33 Ų3351.3 Ų51.321%0.21430%0.299CS..  trans-55.7144.4166.2-23.633.1000111.3T826 W827P824-T826 PolarHBondContact O-N 2.98Å; P824-W827 HydrophobicContact CG-CD2 4.36Å; P824-W827 HydrophobicContact CG-CZ2 4.22Å; P824-W827 PolarHBondContact O-N 3.26Å; P824-W827 VanDerWaalsContact O-N 3.08Å
825P63.7Low75.7Confident125 Ų12550.5 Ų50.581%0.81230%0.296SS*.THydrogen-bonded Turntrans-64.1-8179.726.6-35000113.9
826T63.1Low75.8Confident124 Ų12446.4 Ų46.476%0.76128%0.276SS*.THydrogen-bonded Turntrans-88-8.1177.455.70000113.9P824P824-T826 PolarHBondContact O-N 2.98Å
827W73.6Confident76Confident47 Ų4747.4 Ų47.418%0.17828%0.281CS..  trans-78.6135.5-178.5-76.412.9000112.1Y709 L821 A823 P824 I832 V835Y709-W827 AromaticContact CD2-CH2 3.84Å; Y709-W827 HydrophobicContact CD2-CH2 3.84Å; Y709-W827 HydrophobicContact CD2-CZ3 4.27Å; Y709-W827 HydrophobicContact CG-CH2 4.2Å; L821-W827 HydrophobicContact CD2-CZ3 4.3Å; A823-W827 HydrophobicContact CB-CD2 4.3Å; A823-W827 HydrophobicContact CB-CE3 3.66Å; A823-W827 HydrophobicContact CB-CZ3 4.18Å; P824-W827 HydrophobicContact CG-CD2 4.36Å; P824-W827 HydrophobicContact CG-CZ2 4.22Å; P824-W827 PolarHBondContact O-N 3.26Å; P824-W827 VanDerWaalsContact O-N 3.08Å; W827-I832 HydrophobicContact CE3-CG1 4.23Å; W827-V835 HydrophobicContact CH2-CG2 4.16Å; W827-V835 HydrophobicContact CZ3-CG2 3.9Å
828S73.8Confident75.9Confident58 Ų5848.3 Ų48.341%0.40629%0.29SS..  trans-79.5160.6171.571.70000111A830 S831 I832S828-A830 PolarHBondContact O-N 3.08Å; S828-S831 WeakPolarHBondContact O-CB 3.48Å; S828-S831 PolarHBondContact O-N 3.4Å; S828-S831 PolarHBondContact OG-N 3.33Å; S828-S831 PolarHBondContact OG-OG 3.31Å; S828-I832 PolarHBondContact O-N 3.04Å
829S71.3Confident75.8Confident96 Ų9648.5 Ų48.567%0.67129%0.291SS*.Hα-helixtrans-56.2-33.2172.452.30000112.5I832 R833S829-I832 PolarHBondContact O-N 3.5Å; S829-R833 PolarHBondContact O-N 3.21Å; S829-R833 VanDerWaalsContact O-N 3.07Å
830A71.9Confident76.1Confident35 Ų3548.2 Ų48.229%0.28929%0.288SS..Hα-helixtrans-63.1-41.4172.900000112.2S828 I832 R833 D834S828-A830 PolarHBondContact O-N 3.08Å; A830-I832 PolarHBondContact O-N 3.16Å; A830-R833 WeakPolarHBondContact O-CB 3.44Å; A830-R833 PolarHBondContact O-N 2.98Å; A830-D834 PolarHBondContact O-N 2.99Å
831S75.6Confident76.2Confident24 Ų2450.1 Ų50.117%0.16830%0.296CS..Hα-helixtrans-65.3-37178-50.60000112.5S828 D834 V835S828-S831 WeakPolarHBondContact O-CB 3.48Å; S828-S831 PolarHBondContact O-N 3.4Å; S828-S831 PolarHBondContact OG-N 3.33Å; S828-S831 PolarHBondContact OG-OG 3.31Å; S831-D834 PolarHBondContact O-N 3.41Å; S831-V835 WeakPolarHBondContact O-CG2 3.45Å; S831-V835 PolarHBondContact O-N 2.96Å
832I77.5Confident76.2Confident44 Ų4452.2 Ų52.223%0.22631%0.305CS..Hα-helixtrans-68.5-38.1175.6-63.3167.2000110.6L821 A823 W827 S828 S829 A830 V835 F836 V877L821-I832 HydrophobicContact CD2-CB 4.42Å; L821-I832 HydrophobicContact CD2-CG1 4.34Å; L821-I832 HydrophobicContact CD2-CG2 3.69Å; A823-I832 HydrophobicContact CB-CD1 4.43Å; A823-I832 HydrophobicContact CB-CG1 4.41Å; W827-I832 HydrophobicContact CE3-CG1 4.23Å; S828-I832 PolarHBondContact O-N 3.04Å; S829-I832 PolarHBondContact O-N 3.5Å; A830-I832 PolarHBondContact O-N 3.16Å; I832-V835 PolarHBondContact O-N 3.5Å; I832-F836 PolarHBondContact O-N 3.3Å; I832-V877 HydrophobicContact CG2-CB 4.49Å; I832-V877 HydrophobicContact CG2-CG1 3.91Å; I832-V877 HydrophobicContact CG2-CG2 4.04Å
833R78.9Confident76.5Confident97 Ų9751.5 Ų51.537%0.36630%0.299SS..Hα-helixtrans-65.6-39.4174.3-175.2173.960.7-164.9-3.4112.6S829 A830 V835 F836 E837 V877 E882S829-R833 PolarHBondContact O-N 3.21Å; S829-R833 VanDerWaalsContact O-N 3.07Å; A830-R833 WeakPolarHBondContact O-CB 3.44Å; A830-R833 PolarHBondContact O-N 2.98Å; R833-V835 VanDerWaalsContact C-N 3.3Å; R833-V835 PolarHBondContact O-N 3.44Å; R833-F836 WeakPolarHBondContact O-CB 3.27Å; R833-F836 PolarHBondContact O-N 2.94Å; R833-E837 PolarHBondContact O-N 3.41Å; R833-V877 HydrophobicContact CB-CG1 4.15Å; R833-E882 IonicContact NH1-OE1 3.76Å
834D80.3Confident76.8Confident88 Ų8852 Ų5247%0.47130%0.301SS..Hα-helixtrans-63.4-37.2175.6-65-21.5000111.7A830 S831 G838A830-D834 PolarHBondContact O-N 2.99Å; S831-D834 PolarHBondContact O-N 3.41Å; D834-G838 PolarHBondContact O-N 3.5Å
835V81.4Confident76.7Confident0 Ų057 Ų570%032%0.321CS..Hα-helixtrans-67.2-41.9173.9172.90000111.1L706 Y709 L821 W827 S831 I832 R833 L839L706-V835 HydrophobicContact CD1-CG1 4.19Å; Y709-V835 HydrophobicContact CD1-CG1 4.02Å; Y709-V835 HydrophobicContact CE1-CG1 4.47Å; Y709-V835 HydrophobicContact CG-CG1 4.24Å; L821-V835 HydrophobicContact CD2-CG1 4.44Å; W827-V835 HydrophobicContact CH2-CG2 4.16Å; W827-V835 HydrophobicContact CZ3-CG2 3.9Å; S831-V835 WeakPolarHBondContact O-CG2 3.45Å; S831-V835 PolarHBondContact O-N 2.96Å; I832-V835 PolarHBondContact O-N 3.5Å; R833-V835 VanDerWaalsContact C-N 3.3Å; R833-V835 PolarHBondContact O-N 3.44Å; V835-L839 HydrophobicContact CG1-CD1 3.93Å; V835-L839 HydrophobicContact CG1-CG 4.39Å; V835-L839 WeakPolarHBondContact O-CB 3.3Å; V835-L839 VanDerWaalsContact O-CG 3.31Å; V835-L839 WeakPolarHBondContact O-CG 3.26Å; V835-L839 PolarHBondContact O-N 3.29Å
836F84.8Confident76.3Confident0 Ų060.6 Ų60.60%033%0.327CS..Hα-helixtrans-60.5-50.1177177.4-87.3000112.2I832 R833 L839 W840 V877 R888 L890 L900 K902I832-F836 PolarHBondContact O-N 3.3Å; R833-F836 WeakPolarHBondContact O-CB 3.27Å; R833-F836 PolarHBondContact O-N 2.94Å; F836-L839 PolarHBondContact O-N 3.46Å; F836-W840 HydrophobicContact CE1-CE3 4.37Å; F836-W840 AromaticContact CZ-CE3 3.97Å; F836-W840 HydrophobicContact CZ-CE3 3.97Å; F836-W840 HydrophobicContact CZ-CZ3 4.45Å; F836-W840 VanDerWaalsContact O-CB 3.31Å; F836-W840 WeakPolarHBondContact O-CB 3.39Å; F836-W840 PolarHBondContact O-N 2.69Å; F836-V877 HydrophobicContact CB-CG1 4.06Å; F836-V877 HydrophobicContact CD2-CG2 4.3Å; F836-V877 HydrophobicContact CG-CG1 4.45Å; F836-R888 HydrophobicContact CE1-CB 3.96Å; F836-R888 HydrophobicContact CE1-CG 4.04Å; F836-R888 HydrophobicContact CE2-CB 4.17Å; F836-R888 HydrophobicContact CZ-CB 3.76Å; F836-R888 HydrophobicContact CZ-CG 4.17Å; F836-L890 HydrophobicContact CB-CD1 4.48Å; F836-L890 HydrophobicContact CD2-CB 4.11Å; F836-L890 HydrophobicContact CD2-CD1 4.18Å; F836-L900 HydrophobicContact CD2-CD2 3.49Å; F836-L900 VanDerWaalsContact CD2-CD2 3.49Å; F836-L900 HydrophobicContact CE2-CB 3.9Å; F836-L900 HydrophobicContact CE2-CD2 3.63Å; F836-L900 HydrophobicContact CE2-CG 4.34Å; F836-L900 HydrophobicContact CG-CD2 4.38Å; F836-L900 HydrophobicContact CZ-CB 4.36Å; F836-K902 HydrophobicContact CE1-CG 4.23Å; F836-K902 HydrophobicContact CZ-CG 3.99Å
837E83.9Confident75.8Confident51 Ų5159.1 Ų59.124%0.23832%0.318CS..Hα-helixtrans-68.4-38.5-179.6-65.8-72.3-158.200111.6R833 L839 W840 D841 R888 K902R833-E837 PolarHBondContact O-N 3.41Å; E837-L839 PolarHBondContact O-N 3.22Å; E837-W840 PolarHBondContact O-N 3.39Å; E837-D841 WeakPolarHBondContact O-CB 3.43Å; E837-D841 PolarHBondContact O-N 3.32Å; E837-R888 IonicContact OE1-CZ 3.65Å; E837-R888 IonicContact OE1-NH1 2.61Å; E837-R888 PolarHBondContact OE1-NH1 3.25Å; E837-R888 IonicContact OE1-NH2 3.5Å; E837-R888 PolarHBondContact OE1-NH2 3.03Å; E837-K902 IonicContact OE2-NZ 3.17Å; E837-K902 PolarHBondContact OE2-NZ 3.25Å
838G82.1Confident74.8Confident19 Ų1961.2 Ų61.220%0.19635%0.354CS..Hα-helixtrans-59.5-44.3174.200000113.1D834 E842D834-G838 PolarHBondContact O-N 3.5Å; G838-E842 VanDerWaalsContact O-CG 3.31Å; G838-E842 WeakPolarHBondContact O-CG 3.38Å; G838-E842 PolarHBondContact O-N 3.28Å
839L82.4Confident74.1Confident10 Ų1065.9 Ų65.95%0.05237%0.369CS..Hα-helixtrans-69.4-37.7175.2-70.6172.8000112L706 Y709 V835 F836 E837 E842 M843 L890 L900L706-L839 HydrophobicContact CD1-CD2 3.93Å; L706-L839 HydrophobicContact CD1-CG 3.81Å; Y709-L839 HydrophobicContact CE1-CD1 4.34Å; V835-L839 HydrophobicContact CG1-CD1 3.93Å; V835-L839 HydrophobicContact CG1-CG 4.39Å; V835-L839 WeakPolarHBondContact O-CB 3.3Å; V835-L839 VanDerWaalsContact O-CG 3.31Å; V835-L839 WeakPolarHBondContact O-CG 3.26Å; V835-L839 PolarHBondContact O-N 3.29Å; F836-L839 PolarHBondContact O-N 3.46Å; E837-L839 PolarHBondContact O-N 3.22Å; L839-E842 PolarHBondContact O-N 3.23Å; L839-M843 HydrophobicContact CB-CE 4.14Å; L839-M843 HydrophobicContact CD2-CE 4.34Å; L839-M843 WeakPolarHBondContact O-CB 3.4Å; L839-M843 VanDerWaalsContact O-CG 3.26Å; L839-M843 WeakPolarHBondContact O-CG 3.47Å; L839-M843 PolarHBondContact O-N 2.87Å; L839-L890 HydrophobicContact CD1-CD1 4.37Å; L839-L900 HydrophobicContact CB-CD1 3.83Å
840W85.3Confident74.2Confident26 Ų2662.1 Ų62.110%0.09834%0.344CS..Hα-helixtrans-63.3-47.3178.8-173.3-82.4000111.7F836 E837 E842 M843 S844 L900 K902 N913 A915F836-W840 HydrophobicContact CE1-CE3 4.37Å; F836-W840 AromaticContact CZ-CE3 3.97Å; F836-W840 HydrophobicContact CZ-CE3 3.97Å; F836-W840 HydrophobicContact CZ-CZ3 4.45Å; F836-W840 VanDerWaalsContact O-CB 3.31Å; F836-W840 WeakPolarHBondContact O-CB 3.39Å; F836-W840 PolarHBondContact O-N 2.69Å; E837-W840 PolarHBondContact O-N 3.39Å; W840-E842 VanDerWaalsContact C-N 3.35Å; W840-E842 PolarHBondContact O-N 3.35Å; W840-M843 PolarHBondContact O-N 2.87Å; W840-S844 PolarHBondContact NE1-OG 3.15Å; W840-S844 VanDerWaalsContact O-CB 3.27Å; W840-S844 WeakPolarHBondContact O-CB 3.06Å; W840-S844 PolarHBondContact O-N 3.49Å; W840-S844 PolarHBondContact O-OG 2.77Å; W840-L900 HydrophobicContact CB-CD1 4.1Å; W840-L900 HydrophobicContact CE3-CB 3.55Å; W840-L900 HydrophobicContact CE3-CD1 3.99Å; W840-L900 HydrophobicContact CE3-CG 4.41Å; W840-L900 HydrophobicContact CZ3-CB 3.71Å; W840-K902 HydrophobicContact CD2-CD 3.92Å; W840-K902 VanDerWaalsContact CD2-CE 3.48Å; W840-K902 HydrophobicContact CD2-CG 4.43Å; W840-K902 HydrophobicContact CE3-CD 4.14Å; W840-K902 HydrophobicContact CE3-CG 4.14Å; W840-K902 HydrophobicContact CH2-CB 3.94Å; W840-K902 HydrophobicContact CH2-CD 3.88Å; W840-K902 HydrophobicContact CH2-CG 3.82Å; W840-K902 HydrophobicContact CZ2-CB 4.42Å; W840-K902 HydrophobicContact CZ2-CD 3.63Å; W840-K902 HydrophobicContact CZ2-CG 4.13Å; W840-K902 HydrophobicContact CZ3-CB 4.28Å; W840-K902 HydrophobicContact CZ3-CD 4.13Å; W840-K902 HydrophobicContact CZ3-CG 3.83Å; W840-N913 HydrophobicContact CH2-CB 3.91Å; W840-N913 HydrophobicContact CZ2-CB 4.28Å; W840-A915 HydrophobicContact CD2-CB 4.39Å; W840-A915 HydrophobicContact CE3-CB 3.94Å; W840-A915 HydrophobicContact CH2-CB 4.17Å; W840-A915 HydrophobicContact CZ3-CB 3.82Å
841D83.1Confident74.4Confident92 Ų9262.4 Ų62.449%0.49234%0.343SS..Hα-helixtrans-63-42.2179.4-74.7-15.6000111E837 S844 H845E837-D841 WeakPolarHBondContact O-CB 3.43Å; E837-D841 PolarHBondContact O-N 3.32Å; D841-S844 WeakPolarHBondContact O-CB 3.43Å; D841-S844 PolarHBondContact O-N 2.99Å; D841-H845 PolarHBondContact O-CD2 3.45Å; D841-H845 PolarHBondContact O-N 3.47Å
842E78.3Confident74.7Confident66 Ų6665.8 Ų65.831%0.30836%0.358SS..Hα-helixtrans-66.4-44.2177.7-73177.3146.400113.3R710 G838 L839 W840 S844 H845R710-E842 IonicContact CZ-OE1 2.71Å; R710-E842 IonicContact CZ-OE2 3.02Å; R710-E842 IonicContact NH1-OE1 3.21Å; R710-E842 PolarHBondContact NH1-OE1 2.92Å; R710-E842 IonicContact NH1-OE2 3.21Å; R710-E842 IonicContact NH2-OE1 2.84Å; R710-E842 PolarHBondContact NH2-OE1 3.43Å; R710-E842 IonicContact NH2-OE2 3.83Å; R710-E842 PolarHBondContact NH2-OE2 3.07Å; G838-E842 VanDerWaalsContact O-CG 3.31Å; G838-E842 WeakPolarHBondContact O-CG 3.38Å; G838-E842 PolarHBondContact O-N 3.28Å; L839-E842 PolarHBondContact O-N 3.23Å; W840-E842 VanDerWaalsContact C-N 3.35Å; W840-E842 PolarHBondContact O-N 3.35Å; E842-S844 PolarHBondContact O-N 3.48Å; E842-H845 PolarHBondContact O-N 3.24Å; E842-H845 VanDerWaalsContact O-O 3.09Å
843M78.7Confident75Confident13 Ų1365 Ų656%0.06436%0.357CS..Hα-helixtrans-69.8-20.5176.2-66.9175.9-163.100112.4L839 W840 H845 H898 L900 A915 D917L839-M843 HydrophobicContact CB-CE 4.14Å; L839-M843 HydrophobicContact CD2-CE 4.34Å; L839-M843 WeakPolarHBondContact O-CB 3.4Å; L839-M843 VanDerWaalsContact O-CG 3.26Å; L839-M843 WeakPolarHBondContact O-CG 3.47Å; L839-M843 PolarHBondContact O-N 2.87Å; W840-M843 PolarHBondContact O-N 2.87Å; M843-H845 VanDerWaalsContact C-N 3.33Å; M843-H898 HydrophobicContact CE-CB 4Å; M843-L900 HydrophobicContact CE-CD1 4.04Å; M843-L900 HydrophobicContact SD-CD1 3.6Å; M843-L900 HydrophobicContact SD-CG 4.28Å; M843-A915 HydrophobicContact CB-CB 4.05Å; M843-A915 HydrophobicContact SD-CB 4.13Å; M843-D917 HydrophobicContact CE-CB 4.08Å
844S73.6Confident75.3Confident44 Ų4465 Ų6531%0.30836%0.363SS..Hα-helixtrans-78.4-18.1174-59.90000113W840 D841 E842W840-S844 PolarHBondContact NE1-OG 3.15Å; W840-S844 VanDerWaalsContact O-CB 3.27Å; W840-S844 WeakPolarHBondContact O-CB 3.06Å; W840-S844 PolarHBondContact O-N 3.49Å; W840-S844 PolarHBondContact O-OG 2.77Å; D841-S844 WeakPolarHBondContact O-CB 3.43Å; D841-S844 PolarHBondContact O-N 2.99Å; E842-S844 PolarHBondContact O-N 3.48Å
845H68.5Low75.5Confident138 Ų13861.8 Ų61.864%0.63935%0.345SS*.SBendtrans-91.6118.8172.3-70.4-58.1000109.5D841 E842 M843 T847D841-H845 PolarHBondContact O-CD2 3.45Å; D841-H845 PolarHBondContact O-N 3.47Å; E842-H845 PolarHBondContact O-N 3.24Å; E842-H845 VanDerWaalsContact O-O 3.09Å; M843-H845 VanDerWaalsContact C-N 3.33Å; H845-T847 VanDerWaalsContact C-N 3.35Å; H845-T847 PolarHBondContact O-N 3.23Å
846E53.4Low75.5Confident201 Ų20165 Ų6594%0.93937%0.366SS*.  trans-57.887.1-174.3-66.3-174.3172.700113.3
847T52.4Low75.3Confident93 Ų9365.7 Ų65.757%0.57137%0.371SS*.  trans-99.6143.7159.661.50000107.8H845 E849 S850H845-T847 VanDerWaalsContact C-N 3.35Å; H845-T847 PolarHBondContact O-N 3.23Å; T847-E849 PolarHBondContact O-N 3.31Å; T847-S850 PolarHBondContact O-N 2.93Å; T847-S850 VanDerWaalsContact O-N 3.13Å; T847-S850 PolarHBondContact O-OG 3.43Å; T847-S850 VanDerWaalsContact O-OG 3.07Å; T847-S850 PolarHBondContact OG1-OG 3.21Å
848G54.7Low75.1Confident91 Ų9171.1 Ų71.194%0.93840%0.397SS*.THydrogen-bonded Turntrans-61.6-1.6-162.200000118.1
849E58.9Low74.8Confident155 Ų15570.7 Ų70.772%0.72439%0.39SS*.THydrogen-bonded Turntrans-115.4-17.4179.1-64-176.5162.600113.6T847 D917 C919T847-E849 PolarHBondContact O-N 3.31Å; E849-D917 CarbonylContact C-O 3.5Å; E849-D917 CarbonylContact O-C 3.59Å; E849-C919 PolarHBondContact O-SG 3.38Å
850S71.6Confident74.4Confident18 Ų1872.6 Ų72.613%0.12641%0.412CS..  trans-88.5137.6179.856.20000112.6T847 T916T847-S850 PolarHBondContact O-N 2.93Å; T847-S850 VanDerWaalsContact O-N 3.13Å; T847-S850 PolarHBondContact O-OG 3.43Å; T847-S850 VanDerWaalsContact O-OG 3.07Å; T847-S850 PolarHBondContact OG1-OG 3.21Å; S850-T916 CarbonylContact C-O 3.59Å; S850-T916 VanDerWaalsContact CA-O 3.29Å; S850-T916 WeakPolarHBondContact CA-O 3.43Å
851C76.6Confident73.8Confident40 Ų4076.7 Ų76.727%0.2743%0.432SS..EExtended strand (participates in β ladder)trans-131.3144.3178.3-78.10000112.7A915 T916 C919 L922C851-A915 WeakPolarHBondContact O-CA 3.46Å; C851-T916 HydrophobicContact CB-CG2 4.2Å; C851-T916 PolarHBondContact N-O 3.39Å; C851-T916 PolarHBondContact O-N 2.89Å; C851-C919 HydrophobicContact CB-CB 3.84Å; C851-C919 WeakPolarHBondContact CB-SG 3.05Å; C851-C919 WeakPolarHBondContact SG-CB 3.45Å; C851-C919 CovalentContact SG-SG 2.02Å; C851-C919 PolarHBondContact SG-SG 3.38Å; C851-L922 HydrophobicContact CB-CD1 3.78Å
852I82Confident73.3Confident96 Ų9676.3 Ų76.349%0.49244%0.442SS..EExtended strand (participates in β ladder)trans-109.9137.1171.1-51.8169.3000108.9M914I852-M914 CarbonylContact C-O 3.56Å; I852-M914 VanDerWaalsContact CA-O 3.25Å; I852-M914 WeakPolarHBondContact CA-O 3.34Å; I852-M914 WeakPolarHBondContact CG2-O 3.5Å
853S84.8Confident73.2Confident28 Ų2874.6 Ų74.620%0.19644%0.439CS..EExtended strand (participates in β ladder)trans-136.7152.3176.6-179.80000110.5M914S853-M914 PolarHBondContact N-O 3.38Å; S853-M914 WeakPolarHBondContact O-CB 3.25Å; S853-M914 PolarHBondContact O-N 2.87Å
854L84.6Confident73.3Confident95 Ų9574.1 Ų74.150%0.49744%0.436SS..EExtended strand (participates in β ladder)trans-120.2125.3174.2171.568.1000108.7H911 N913L854-H911 HydrophobicContact CD1-CB 4.02Å; L854-N913 WeakPolarHBondContact CD1-OD1 3.44Å
855F83.9Confident73.5Confident22 Ų2276.4 Ų76.410%0.09644%0.441CS..EExtended strand (participates in β ladder)trans-113127.1171.1177.4-88.7000109.7C857 F912 M914 L929 L930 T933F855-C857 HydrophobicContact CE1-CB 3.96Å; F855-C857 HydrophobicContact CZ-CB 4.46Å; F855-F912 HydrophobicContact CB-CB 4.16Å; F855-F912 HydrophobicContact CD1-CB 4.39Å; F855-F912 AromaticContact CD1-CD2 3.89Å; F855-F912 HydrophobicContact CD1-CD2 3.89Å; F855-F912 HydrophobicContact CD1-CG 4.33Å; F855-F912 PolarHBondContact N-O 3.1Å; F855-F912 PolarHBondContact O-N 3.2Å; F855-M914 HydrophobicContact CB-SD 4.47Å; F855-L929 HydrophobicContact CB-CD1 4.14Å; F855-L929 HydrophobicContact CD1-CB 4.17Å; F855-L929 HydrophobicContact CD1-CD1 4.01Å; F855-L929 HydrophobicContact CE1-CB 3.97Å; F855-L929 HydrophobicContact CE2-CB 4.38Å; F855-L929 HydrophobicContact CG-CB 4.46Å; F855-L929 HydrophobicContact CG-CD1 4.01Å; F855-L929 HydrophobicContact CZ-CB 4.08Å; F855-L930 HydrophobicContact CE2-CD2 3.74Å; F855-L930 HydrophobicContact CE2-CG 3.8Å; F855-L930 HydrophobicContact CZ-CD2 3.85Å; F855-L930 HydrophobicContact CZ-CG 4.1Å; F855-T933 HydrophobicContact CE1-CG2 4.25Å
856C81.4Confident74Confident66 Ų6672 Ų7245%0.44643%0.428SS..EExtended strand (participates in β ladder)trans-119.6134.1-178.7-58.30000110.6A910 H911C856-A910 WeakPolarHBondContact CA-O 3.38Å; C856-H911 PolarHBondContact SG-CD2 3.45Å
857C81.7Confident75.4Confident16 Ų1662.4 Ų62.411%0.10838%0.384CS..EExtended strand (participates in β ladder)trans-139155.8172.763.50000112.1F855 L859 A909 A910 T933F855-C857 HydrophobicContact CE1-CB 3.96Å; F855-C857 HydrophobicContact CZ-CB 4.46Å; C857-L859 PolarHBondContact O-N 2.84Å; C857-A909 WeakPolarHBondContact O-CA 3.31Å; C857-A910 PolarHBondContact N-O 2.94Å; C857-A910 VanDerWaalsContact N-O 3.1Å; C857-A910 PolarHBondContact O-N 3.18Å; C857-T933 HydrophobicContact CB-CG2 4.38Å
858Q79.4Confident76.8Confident164 Ų16458.2 Ų58.277%0.76636%0.358SS*.  trans-82.789.7175.9-69-175.7-1.900109.2
859L76.3Confident78Confident10 Ų1060.6 Ų60.65%0.05235%0.345CS..  trans-129.1128.5176.3-115.390.1000109.9C857 A863 L864 L867 A910 T933C857-L859 PolarHBondContact O-N 2.84Å; L859-A863 HydrophobicContact CD2-CB 3.95Å; L859-A863 HydrophobicContact CG-CB 4.19Å; L859-L864 HydrophobicContact CD2-CB 4.45Å; L859-L867 HydrophobicContact CD2-CD1 3.9Å; L859-A910 HydrophobicContact CB-CB 4.12Å; L859-T933 HydrophobicContact CD1-CG2 4.31Å
860G72.8Confident79Confident50 Ų5060.1 Ų60.152%0.51534%0.34SS..  trans-66.915417100000112A862 A863 L864G860-A862 VanDerWaalsContact C-N 3.28Å; G860-A862 PolarHBondContact O-N 3.25Å; G860-A863 PolarHBondContact O-N 3.13Å; G860-L864 PolarHBondContact O-N 2.98Å
861E73.3Confident79.4Confident113 Ų11361.2 Ų61.253%0.52834%0.343SS..Hα-helixtrans-56-38.1-173.5-161.9-166.4149.500113.5L864 K865E861-L864 PolarHBondContact O-N 3.3Å; E861-K865 WeakPolarHBondContact O-CG 3.34Å; E861-K865 PolarHBondContact O-N 3.04Å; E861-K865 VanDerWaalsContact O-N 3.09Å; E861-K865 WeakPolarHBondContact OE1-CE 3.33Å; E861-K865 IonicContact OE1-NZ 2.75Å; E861-K865 PolarHBondContact OE1-NZ 3.25Å
862A72.9Confident79.7Confident83 Ų8359.3 Ų59.369%0.68633%0.33SS*.Hα-helixtrans-68.2-39.2177.500000113G860 L864 A866G860-A862 VanDerWaalsContact C-N 3.28Å; G860-A862 PolarHBondContact O-N 3.25Å; A862-L864 VanDerWaalsContact C-N 3.34Å; A862-A866 PolarHBondContact O-N 3Å
863A76.6Confident79.6Confident30 Ų3060.4 Ų60.425%0.24833%0.333CS..Hα-helixtrans-69.9-34.8176.300000111.2L859 G860 A866 L867 L936L859-A863 HydrophobicContact CD2-CB 3.95Å; L859-A863 HydrophobicContact CG-CB 4.19Å; G860-A863 PolarHBondContact O-N 3.13Å; A863-A866 PolarHBondContact O-N 3.11Å; A863-L867 WeakPolarHBondContact O-CB 3.37Å; A863-L867 PolarHBondContact O-N 3.27Å; A863-L936 HydrophobicContact CB-CD2 4.36Å
864L80.2Confident79.1Confident3 Ų362 Ų622%0.01634%0.344CS..Hα-helixtrans-64.4-44.7176-175.763000111.3L859 G860 E861 A862 A866 L867 V868 I903 A910 F912L859-L864 HydrophobicContact CD2-CB 4.45Å; G860-L864 PolarHBondContact O-N 2.98Å; E861-L864 PolarHBondContact O-N 3.3Å; A862-L864 VanDerWaalsContact C-N 3.34Å; L864-A866 PolarHBondContact O-N 3Å; L864-L867 PolarHBondContact O-N 3.33Å; L864-V868 WeakPolarHBondContact O-CG2 3.46Å; L864-V868 PolarHBondContact O-N 3.48Å; L864-I903 HydrophobicContact CD1-CG2 3.91Å; L864-I903 HydrophobicContact CD2-CG2 4.22Å; L864-I903 HydrophobicContact CG-CG2 4.4Å; L864-A910 HydrophobicContact CD1-CB 3.84Å; L864-A910 HydrophobicContact CD2-CB 3.97Å; L864-A910 HydrophobicContact CG-CB 4.45Å; L864-F912 HydrophobicContact CD1-CE2 4.18Å; L864-F912 HydrophobicContact CD1-CZ 3.73Å
865K77.7Confident78.9Confident92 Ų9258.3 Ų58.340%0.432%0.324SS..Hα-helixtrans-59.9-45.6175-73.2176.7-173.81680111.8E861 L867 V868 E869 F887E861-K865 WeakPolarHBondContact O-CG 3.34Å; E861-K865 PolarHBondContact O-N 3.04Å; E861-K865 VanDerWaalsContact O-N 3.09Å; E861-K865 WeakPolarHBondContact OE1-CE 3.33Å; E861-K865 IonicContact OE1-NZ 2.75Å; E861-K865 PolarHBondContact OE1-NZ 3.25Å; K865-L867 VanDerWaalsContact C-N 3.33Å; K865-L867 PolarHBondContact O-N 3Å; K865-V868 PolarHBondContact O-N 3.44Å; K865-E869 WeakPolarHBondContact O-CB 3.3Å; K865-E869 WeakPolarHBondContact O-CG 3.32Å; K865-E869 PolarHBondContact O-N 2.88Å; K865-F887 HydrophobicContact CG-CE2 4.37Å; K865-F887 HydrophobicContact CG-CZ 3.99Å
866A79.1Confident78.7Confident46 Ų4659.1 Ų59.138%0.3833%0.329SS..Hα-helixtrans-62.7-37.2176.700000113.1A862 A863 L864 K870A862-A866 PolarHBondContact O-N 3Å; A863-A866 PolarHBondContact O-N 3.11Å; L864-A866 PolarHBondContact O-N 3Å; A866-K870 VanDerWaalsContact O-CB 3.29Å; A866-K870 WeakPolarHBondContact O-CB 3.36Å; A866-K870 PolarHBondContact O-N 3.43Å
867L82.8Confident78.5Confident0 Ų057 Ų570%031%0.314CS..Hα-helixtrans-66.5-45.9176.3-174.8155.4000111.4L859 A863 L864 K865 K870 H871 F872 F912 V932 T933 L936L859-L867 HydrophobicContact CD2-CD1 3.9Å; A863-L867 WeakPolarHBondContact O-CB 3.37Å; A863-L867 PolarHBondContact O-N 3.27Å; L864-L867 PolarHBondContact O-N 3.33Å; K865-L867 VanDerWaalsContact C-N 3.33Å; K865-L867 PolarHBondContact O-N 3Å; L867-K870 PolarHBondContact O-N 2.97Å; L867-H871 PolarHBondContact O-N 3.29Å; L867-F872 HydrophobicContact CD2-CD2 4Å; L867-F872 HydrophobicContact CD2-CE2 3.79Å; L867-F912 HydrophobicContact CD2-CZ 4.38Å; L867-V932 HydrophobicContact CD1-CG1 3.84Å; L867-V932 HydrophobicContact CD2-CG1 4.18Å; L867-V932 HydrophobicContact CG-CG1 3.77Å; L867-T933 HydrophobicContact CD1-CG2 3.94Å; L867-L936 HydrophobicContact CB-CD2 4.11Å; L867-L936 HydrophobicContact CD1-CD1 4.34Å
868V82.1Confident77.8Confident4 Ų457 Ų572%0.02432%0.315CS..Hα-helixtrans-63-44.5177.5171.80000110.8L864 K865 K870 F872 H873 L876 F887 I903L864-V868 WeakPolarHBondContact O-CG2 3.46Å; L864-V868 PolarHBondContact O-N 3.48Å; K865-V868 PolarHBondContact O-N 3.44Å; V868-K870 VanDerWaalsContact C-N 3.3Å; V868-K870 PolarHBondContact O-N 2.86Å; V868-F872 HydrophobicContact CG1-CB 4.35Å; V868-F872 CarbonylContact O-C 3.56Å; V868-F872 WeakPolarHBondContact O-CA 3.38Å; V868-F872 PolarHBondContact O-N 3.34Å; V868-H873 PolarHBondContact O-N 3.47Å; V868-L876 HydrophobicContact CG1-CD1 3.96Å; V868-L876 HydrophobicContact CG1-CD2 3.93Å; V868-L876 HydrophobicContact CG1-CG 4.38Å; V868-F887 HydrophobicContact CG1-CD1 4.33Å; V868-F887 HydrophobicContact CG1-CG 4.4Å; V868-I903 HydrophobicContact CG2-CD1 4.17Å
869E79.8Confident76.9Confident142 Ų14253.4 Ų53.466%0.66430%0.3SS*.Hα-helixtrans-60.7-38.1175.7-77.5-179.1175.200112.8K865 H873K865-E869 WeakPolarHBondContact O-CB 3.3Å; K865-E869 WeakPolarHBondContact O-CG 3.32Å; K865-E869 PolarHBondContact O-N 2.88Å; E869-H873 WeakPolarHBondContact O-CB 3.36Å
870K79.2Confident75.8Confident145 Ų14557.1 Ų57.163%0.6333%0.325SS*.Hα-helixtrans-79.9-39.1-176.1-173.8178.9175-170.40113.7A866 L867 V868A866-K870 VanDerWaalsContact O-CB 3.29Å; A866-K870 WeakPolarHBondContact O-CB 3.36Å; A866-K870 PolarHBondContact O-N 3.43Å; L867-K870 PolarHBondContact O-N 2.97Å; V868-K870 VanDerWaalsContact C-N 3.3Å; V868-K870 PolarHBondContact O-N 2.86Å
871H81.1Confident74.6Confident40 Ų4062 Ų6219%0.18534%0.339CS..Hα-helixtrans-113.9-24.8-168.5-69.6-78.5000114.5L867 Y928 V932L867-H871 PolarHBondContact O-N 3.29Å; H871-Y928 PolarHBondContact ND1-OH 3.09Å; H871-V932 HydrophobicContact CB-CG1 4.43Å; H871-V932 WeakPolarHBondContact CD2-CG1 3.42Å
872F82.3Confident73.7Confident0 Ų061.3 Ų61.30%034%0.335CS..THydrogen-bonded Turntrans-119.1-6.3-173-64.8-71.9000114.7L867 V868 S874 F875 L876 L891 L901 Y928 L929L867-F872 HydrophobicContact CD2-CD2 4Å; L867-F872 HydrophobicContact CD2-CE2 3.79Å; V868-F872 HydrophobicContact CG1-CB 4.35Å; V868-F872 CarbonylContact O-C 3.56Å; V868-F872 WeakPolarHBondContact O-CA 3.38Å; V868-F872 PolarHBondContact O-N 3.34Å; F872-S874 VanDerWaalsContact C-N 3.31Å; F872-S874 PolarHBondContact O-N 3.14Å; F872-F875 CarbonylContact O-C 3.37Å; F872-F875 WeakPolarHBondContact O-CA 3.5Å; F872-F875 PolarHBondContact O-N 3.02Å; F872-L876 PolarHBondContact O-N 3.1Å; F872-L891 HydrophobicContact CE1-CD1 4.3Å; F872-L901 HydrophobicContact CD1-CD1 4.11Å; F872-L901 HydrophobicContact CE1-CD1 3.63Å; F872-L901 HydrophobicContact CZ-CD1 4.15Å; F872-Y928 HydrophobicContact CE1-CE1 4.26Å; F872-Y928 AromaticContact CZ-CE1 3.87Å; F872-Y928 HydrophobicContact CZ-CE1 3.87Å; F872-L929 HydrophobicContact CE2-CD2 4.31Å; F872-L929 HydrophobicContact CZ-CD2 3.86Å
873H78.8Confident72.6Confident119 Ų11967.4 Ų67.455%0.55135%0.35SS*.G310 helixtrans-53.4-42-174.2-178.572.6000114.2V868 E869 F875V868-H873 PolarHBondContact O-N 3.47Å; E869-H873 WeakPolarHBondContact O-CB 3.36Å; H873-F875 PolarHBondContact O-N 3.48Å
874S75.1Confident71.5Confident61 Ų6168.7 Ų68.743%0.42736%0.357SS..G310 helixtrans-69.9-8.4178.349.20000114.5F872F872-S874 VanDerWaalsContact C-N 3.31Å; F872-S874 PolarHBondContact O-N 3.14Å
875F80.7Confident70.6Confident19 Ų1972.6 Ų72.68%0.08339%0.39CS..G310 helixtrans-120.65.3-173.3-48.1-72.6000112.8F818 P820 F872 H873 A889 L890 L891F818-F875 HydrophobicContact CB-CE1 3.95Å; F818-F875 HydrophobicContact CB-CE2 4.28Å; F818-F875 HydrophobicContact CB-CZ 3.64Å; P820-F875 HydrophobicContact CB-CD1 4.3Å; F872-F875 CarbonylContact O-C 3.37Å; F872-F875 WeakPolarHBondContact O-CA 3.5Å; F872-F875 PolarHBondContact O-N 3.02Å; H873-F875 PolarHBondContact O-N 3.48Å; F875-A889 CarbonylContact O-C 3.59Å; F875-A889 VanDerWaalsContact O-CA 3.29Å; F875-A889 WeakPolarHBondContact O-CA 3.19Å; F875-L890 PolarHBondContact O-N 3.42Å; F875-L891 HydrophobicContact CB-CD2 3.69Å; F875-L891 HydrophobicContact CD1-CD2 3.74Å; F875-L891 HydrophobicContact CD2-CD2 3.59Å; F875-L891 HydrophobicContact CE1-CD2 4.26Å; F875-L891 HydrophobicContact CE2-CD2 4.11Å; F875-L891 HydrophobicContact CG-CD2 3.39Å; F875-L891 HydrophobicContact CZ-CD2 4.43Å
876L80.2Confident70.5Confident39 Ų3970.7 Ų70.720%0.20438%0.382CS..BIsolated β-bridgetrans-72.9134.9-179.5-73172.4000111.9V868 F872 F887 A889V868-L876 HydrophobicContact CG1-CD1 3.96Å; V868-L876 HydrophobicContact CG1-CD2 3.93Å; V868-L876 HydrophobicContact CG1-CG 4.38Å; F872-L876 PolarHBondContact O-N 3.1Å; L876-F887 HydrophobicContact CD2-CB 4.26Å; L876-A889 HydrophobicContact CD2-CB 4.29Å
877V75.6Confident70.6Confident21 Ų2170.5 Ų70.513%0.12737%0.373CS..  trans-101.6-22174.9175.80000111.4I832 R833 F836 R888 L890I832-V877 HydrophobicContact CG2-CB 4.49Å; I832-V877 HydrophobicContact CG2-CG1 3.91Å; I832-V877 HydrophobicContact CG2-CG2 4.04Å; R833-V877 HydrophobicContact CB-CG1 4.15Å; F836-V877 HydrophobicContact CB-CG1 4.06Å; F836-V877 HydrophobicContact CD2-CG2 4.3Å; F836-V877 HydrophobicContact CG-CG1 4.45Å; V877-R888 PolarHBondContact N-O 3.08Å; V877-L890 HydrophobicContact CG2-CB 3.76Å
878S67Low70.7Confident17 Ų1773 Ų7312%0.11938%0.382CS..SBendtrans-86.7143.1175.1-39.10000110.4P880 R888S878-P880 WeakPolarHBondContact O-CD 3.42Å; S878-R888 WeakPolarHBondContact OG-CB 3.42Å; S878-R888 WeakPolarHBondContact OG-CG 3.47Å; S878-R888 PolarHBondContact OG-N 2.7Å
879D60.7Low70.9Confident87 Ų8772.8 Ų72.847%0.46538%0.381SS..  trans-70.4123.4173.3-162.7-23.1000108.5L881 E882D879-L881 PolarHBondContact O-N 3.09Å; D879-L881 PolarHBondContact OD1-N 2.97Å; D879-E882 HydrophobicContact CB-CG 4.27Å; D879-E882 PolarHBondContact O-N 3.37Å
880P54.2Low71.1Confident89 Ų8966 Ų6658%0.57835%0.35SS*.THydrogen-bonded Turntrans-60.1-8.6178.722.2-33.3000114.1S878S878-P880 WeakPolarHBondContact O-CD 3.42Å
881L48.3Very low71.5Confident152 Ų15259.1 Ų59.180%0.79632%0.32SS*.THydrogen-bonded Turntrans-93.1-9.1176.1-74.7148.9000114.6D879D879-L881 PolarHBondContact O-N 3.09Å; D879-L881 PolarHBondContact OD1-N 2.97Å
882E53.8Low71.6Confident98 Ų9857.2 Ų57.246%0.45831%0.311SS..SBendtrans-75.4124.8172.6-77.6-177.9163.500109.6R833 D879 S884R833-E882 IonicContact NH1-OE1 3.76Å; D879-E882 HydrophobicContact CB-CG 4.27Å; D879-E882 PolarHBondContact O-N 3.37Å; E882-S884 PolarHBondContact O-N 3.03Å
883E49.8Very low71.8Confident211 Ų21157.2 Ų57.299%0.98631%0.311SS*.  trans-69.739174.5-68.3-177.2161.600112.6
884S53.8Low71.8Confident57 Ų5751.6 Ų51.640%0.39929%0.285SS..  trans-89.5132172.852.60000110.2E882 E886E882-S884 PolarHBondContact O-N 3.03Å; S884-E886 PolarHBondContact O-N 3.32Å
885A61.5Low71.6Confident86 Ų8651 Ų5171%0.71128%0.279SS*.SBendtrans-67.99.7179.100000115
886E75.2Confident71.6Confident52 Ų5256 Ų5624%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-134.7122.1-172.5-174.1-175.3-132.300110.8S884 R888 K902 I903S884-E886 PolarHBondContact O-N 3.32Å; E886-R888 IonicContact OE2-CZ 3.32Å; E886-R888 IonicContact OE2-NE 3.69Å; E886-R888 PolarHBondContact OE2-NE 3.41Å; E886-R888 IonicContact OE2-NH2 3.03Å; E886-R888 PolarHBondContact OE2-NH2 2.87Å; E886-R888 VanDerWaalsContact OE2-NH2 3.17Å; E886-K902 HydrophobicContact CG-CB 4.45Å; E886-K902 WeakPolarHBondContact OE1-CB 3.38Å; E886-K902 WeakPolarHBondContact OE1-CD 3.46Å; E886-I903 CarbonylContact C-O 3.49Å; E886-I903 VanDerWaalsContact CA-O 3.28Å; E886-I903 WeakPolarHBondContact CA-O 3.33Å
887F81.1Confident71.8Confident41 Ų4155 Ų5518%0.1830%0.297CS..EExtended strand (participates in β ladder)trans-93.4135.7171.7-58.1-85000110.3K865 V868 L876 I903K865-F887 HydrophobicContact CG-CE2 4.37Å; K865-F887 HydrophobicContact CG-CZ 3.99Å; V868-F887 HydrophobicContact CG1-CD1 4.33Å; V868-F887 HydrophobicContact CG1-CG 4.4Å; L876-F887 HydrophobicContact CD2-CB 4.26Å; F887-I903 HydrophobicContact CB-CB 4.21Å; F887-I903 PolarHBondContact N-O 3.43Å; F887-I903 PolarHBondContact O-N 3.08Å
888R84.4Confident72.3Confident52 Ų5254.1 Ų54.120%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-114.7123.7177.5-53.2169.5178.8-171.8-10110.4F836 E837 V877 S878 E886 L901 K902F836-R888 HydrophobicContact CE1-CB 3.96Å; F836-R888 HydrophobicContact CE1-CG 4.04Å; F836-R888 HydrophobicContact CE2-CB 4.17Å; F836-R888 HydrophobicContact CZ-CB 3.76Å; F836-R888 HydrophobicContact CZ-CG 4.17Å; E837-R888 IonicContact OE1-CZ 3.65Å; E837-R888 IonicContact OE1-NH1 2.61Å; E837-R888 PolarHBondContact OE1-NH1 3.25Å; E837-R888 IonicContact OE1-NH2 3.5Å; E837-R888 PolarHBondContact OE1-NH2 3.03Å; V877-R888 PolarHBondContact N-O 3.08Å; S878-R888 WeakPolarHBondContact OG-CB 3.42Å; S878-R888 WeakPolarHBondContact OG-CG 3.47Å; S878-R888 PolarHBondContact OG-N 2.7Å; E886-R888 IonicContact OE2-CZ 3.32Å; E886-R888 IonicContact OE2-NE 3.69Å; E886-R888 PolarHBondContact OE2-NE 3.41Å; E886-R888 IonicContact OE2-NH2 3.03Å; E886-R888 PolarHBondContact OE2-NH2 2.87Å; E886-R888 VanDerWaalsContact OE2-NH2 3.17Å; R888-L901 WeakPolarHBondContact CA-O 3.4Å; R888-K902 HydrophobicContact CG-CG 4.41Å
889A85.5Confident73.3Confident0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-123.7140.7176.700000111F875 L876 L901F875-A889 CarbonylContact O-C 3.59Å; F875-A889 VanDerWaalsContact O-CA 3.29Å; F875-A889 WeakPolarHBondContact O-CA 3.19Å; L876-A889 HydrophobicContact CD2-CB 4.29Å; A889-L901 HydrophobicContact CB-CB 4.26Å; A889-L901 HydrophobicContact CB-CD1 4.45Å; A889-L901 PolarHBondContact N-O 3.48Å; A889-L901 PolarHBondContact O-N 2.88Å
890L85.8Confident74.5Confident1 Ų149.2 Ų49.21%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-122.5117.3177.3-171160.3000109.3L821 F836 L839 F875 V877 L900L821-L890 HydrophobicContact CB-CD2 4.02Å; L821-L890 HydrophobicContact CD1-CD1 3.94Å; L821-L890 HydrophobicContact CD1-CD2 3.68Å; L821-L890 HydrophobicContact CD1-CG 4.49Å; L821-L890 HydrophobicContact CG-CD2 4.43Å; F836-L890 HydrophobicContact CB-CD1 4.48Å; F836-L890 HydrophobicContact CD2-CB 4.11Å; F836-L890 HydrophobicContact CD2-CD1 4.18Å; L839-L890 HydrophobicContact CD1-CD1 4.37Å; F875-L890 PolarHBondContact O-N 3.42Å; V877-L890 HydrophobicContact CG2-CB 3.76Å; L890-L900 HydrophobicContact CB-CD2 4.22Å; L890-L900 HydrophobicContact CD1-CD2 3.63Å; L890-L900 HydrophobicContact CG-CD2 3.63Å
891L86.3Confident76.1Confident0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-103.5117.1176.8-57.5169.3000108.8F818 F872 F875 H898 I899 L901 M925F818-L891 HydrophobicContact CB-CD2 4.2Å; F818-L891 HydrophobicContact CD2-CD1 4.37Å; F818-L891 HydrophobicContact CD2-CD2 4.05Å; F818-L891 HydrophobicContact CE2-CD1 4.31Å; F818-L891 HydrophobicContact CG-CD2 4.17Å; F872-L891 HydrophobicContact CE1-CD1 4.3Å; F875-L891 HydrophobicContact CB-CD2 3.69Å; F875-L891 HydrophobicContact CD1-CD2 3.74Å; F875-L891 HydrophobicContact CD2-CD2 3.59Å; F875-L891 HydrophobicContact CE1-CD2 4.26Å; F875-L891 HydrophobicContact CE2-CD2 4.11Å; F875-L891 HydrophobicContact CG-CD2 3.39Å; F875-L891 HydrophobicContact CZ-CD2 4.43Å; L891-H898 WeakPolarHBondContact O-CA 3.49Å; L891-I899 HydrophobicContact CB-CB 4.29Å; L891-I899 HydrophobicContact CD1-CB 4.48Å; L891-I899 PolarHBondContact N-O 2.92Å; L891-I899 PolarHBondContact O-N 2.84Å; L891-L901 HydrophobicContact CD1-CD1 4.03Å; L891-M925 HydrophobicContact CD1-CE 3.4Å; L891-M925 VanDerWaalsContact CD1-CE 3.4Å; L891-M925 HydrophobicContact CD1-SD 4.42Å
892F84.6Confident77.9Confident0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-89.4129.5171.3-179.5-109.1000109.7L713 A719 L819 P822 P894 H898L713-F892 HydrophobicContact CD2-CE2 3.73Å; L713-F892 HydrophobicContact CD2-CZ 4.03Å; A719-F892 HydrophobicContact CB-CD1 4.29Å; A719-F892 HydrophobicContact CB-CE1 3.47Å; A719-F892 VanDerWaalsContact CB-CE1 3.47Å; A719-F892 HydrophobicContact CB-CZ 4.08Å; L819-F892 HydrophobicContact CB-CB 4.45Å; L819-F892 HydrophobicContact CB-CD1 4.19Å; L819-F892 HydrophobicContact CD1-CD1 4.42Å; L819-F892 PolarHBondContact N-O 3.43Å; L819-F892 WeakPolarHBondContact O-CB 3.34Å; L819-F892 PolarHBondContact O-N 3.16Å; P822-F892 HydrophobicContact CG-CD1 3.92Å; P822-F892 HydrophobicContact CG-CD2 4.43Å; P822-F892 HydrophobicContact CG-CE1 4.04Å; P822-F892 HydrophobicContact CG-CG 4.13Å; P822-F892 HydrophobicContact CG-CZ 4.34Å; F892-P894 HydrophobicContact CD1-CG 4.22Å; F892-P894 HydrophobicContact CE1-CB 4.24Å; F892-P894 HydrophobicContact CE1-CG 3.86Å; F892-H898 AromaticContact CD2-CD2 3.66Å; F892-H898 AromaticContact CD2-NE2 3.44Å; F892-H898 WeakPolarHBondContact CD2-NE2 3.4Å; F892-H898 AromaticContact CE2-NE2 3.63Å
893L84.8Confident79.4Confident0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-120.9105.6-180-72.3171.9000108.9P784 F814 V817 F818 S897 I899 L921P784-L893 HydrophobicContact CB-CB 3.94Å; P784-L893 HydrophobicContact CB-CD2 4.26Å; P784-L893 HydrophobicContact CG-CB 4.04Å; F814-L893 HydrophobicContact CE2-CD1 4.48Å; F814-L893 HydrophobicContact CZ-CD1 4.22Å; V817-L893 HydrophobicContact CB-CD2 4.02Å; V817-L893 HydrophobicContact CG1-CD2 3.67Å; F818-L893 HydrophobicContact CD1-CD2 3.72Å; F818-L893 HydrophobicContact CE1-CD2 4.16Å; L893-S897 PolarHBondContact N-O 3.08Å; L893-S897 PolarHBondContact O-N 3.33Å; L893-S897 VanDerWaalsContact O-O 3.09Å; L893-I899 HydrophobicContact CD1-CD1 3.5Å; L893-I899 VanDerWaalsContact CD1-CD1 3.5Å; L893-I899 HydrophobicContact CD1-CG1 3.93Å; L893-L921 HydrophobicContact CD1-CD1 3.71Å; L893-L921 HydrophobicContact CD1-CD2 4.45Å
894P80.2Confident81Confident0 Ų025.2 Ų25.20%014%0.143CC..THydrogen-bonded Turntrans-62.5145.3-179.7-16.828.6000111.3A719 I722 P781 P784 L819 F892A719-P894 VanDerWaalsContact O-CB 3.31Å; A719-P894 WeakPolarHBondContact O-CB 3.43Å; A719-P894 VanDerWaalsContact O-CG 3.23Å; A719-P894 WeakPolarHBondContact O-CG 3.35Å; I722-P894 HydrophobicContact CD1-CG 4.34Å; I722-P894 HydrophobicContact CG1-CG 4.21Å; P781-P894 HydrophobicContact CG-CB 3.68Å; P781-P894 HydrophobicContact CG-CG 4.44Å; P781-P894 VanDerWaalsContact CG-O 3.24Å; P781-P894 WeakPolarHBondContact CG-O 3.39Å; P784-P894 WeakPolarHBondContact CB-O 3.47Å; L819-P894 HydrophobicContact CD1-CG 3.52Å; L819-P894 HydrophobicContact CG-CG 4.38Å; F892-P894 HydrophobicContact CD1-CG 4.22Å; F892-P894 HydrophobicContact CE1-CB 4.24Å; F892-P894 HydrophobicContact CE1-CG 3.86Å
895P70.3Confident82.1Confident48 Ų4824.7 Ų24.731%0.31214%0.139SC..THydrogen-bonded Turncis-88.1-23.713.731.1-34.1000115.8
896K80.4Confident82.6Confident124 Ų12423.6 Ų23.654%0.53912%0.124SC..THydrogen-bonded Turntrans-148.31.6-173.2-65.1-173.9-179.4178.30115.4L713 H898L713-K896 WeakPolarHBondContact O-CE 3.5Å; K896-H898 PolarHBondContact O-CE1 2.87Å; K896-H898 PolarHBondContact O-ND1 3.07Å; K896-H898 VanDerWaalsContact O-ND1 3.11Å
897S84Confident81.9Confident18 Ų1830.7 Ų30.713%0.12616%0.157CC..EExtended strand (participates in β ladder)trans-90.4152.9-170.7-59.80000112.1L893 D917L893-S897 PolarHBondContact N-O 3.08Å; L893-S897 PolarHBondContact O-N 3.33Å; L893-S897 VanDerWaalsContact O-O 3.09Å; S897-D917 VanDerWaalsContact CA-OD1 3.22Å; S897-D917 WeakPolarHBondContact CA-OD1 2.87Å; S897-D917 WeakPolarHBondContact CA-OD2 3.43Å; S897-D917 WeakPolarHBondContact CB-OD1 2.89Å
898H87.3Confident81.1Confident4 Ų435.9 Ų35.92%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-137.9138.8-177.2-53.878.8000110.2Y709 M843 L891 F892 K896 T916 D917Y709-H898 AromaticContact CE1-NE2 3.43Å; Y709-H898 WeakPolarHBondContact CE1-NE2 3.49Å; Y709-H898 AromaticContact CZ-NE2 3.51Å; Y709-H898 PolarHBondContact OH-NE2 3.47Å; M843-H898 HydrophobicContact CE-CB 4Å; L891-H898 WeakPolarHBondContact O-CA 3.49Å; F892-H898 AromaticContact CD2-CD2 3.66Å; F892-H898 AromaticContact CD2-NE2 3.44Å; F892-H898 WeakPolarHBondContact CD2-NE2 3.4Å; F892-H898 AromaticContact CE2-NE2 3.63Å; K896-H898 PolarHBondContact O-CE1 2.87Å; K896-H898 PolarHBondContact O-ND1 3.07Å; K896-H898 VanDerWaalsContact O-ND1 3.11Å; H898-T916 WeakPolarHBondContact O-CA 3.5Å; H898-T916 PolarHBondContact O-OG1 2.94Å; H898-D917 IonicContact CE1-OD2 3.12Å; H898-D917 IonicContact CG-OD2 3.68Å; H898-D917 VanDerWaalsContact N-CG 3.29Å; H898-D917 PolarHBondContact N-OD1 3.3Å; H898-D917 PolarHBondContact N-OD2 3.05Å; H898-D917 VanDerWaalsContact N-OD2 3.1Å; H898-D917 IonicContact ND1-OD2 2.67Å; H898-D917 PolarHBondContact ND1-OD2 2.85Å
899I87Confident80.7Confident0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-121.2118.3168.2-60.1173.2000108.3F814 L891 L893 L901 M914 L921 M925F814-I899 HydrophobicContact CZ-CD1 4.29Å; L891-I899 HydrophobicContact CB-CB 4.29Å; L891-I899 HydrophobicContact CD1-CB 4.48Å; L891-I899 PolarHBondContact N-O 2.92Å; L891-I899 PolarHBondContact O-N 2.84Å; L893-I899 HydrophobicContact CD1-CD1 3.5Å; L893-I899 VanDerWaalsContact CD1-CD1 3.5Å; L893-I899 HydrophobicContact CD1-CG1 3.93Å; I899-L901 HydrophobicContact CG2-CD2 4.11Å; I899-L901 HydrophobicContact CG2-CG 4.39Å; I899-M914 HydrophobicContact CG2-CE 4.11Å; I899-L921 HydrophobicContact CD1-CB 4.09Å; I899-L921 HydrophobicContact CD1-CD1 4.43Å; I899-M925 HydrophobicContact CB-CE 4.33Å; I899-M925 HydrophobicContact CD1-CB 4.42Å; I899-M925 HydrophobicContact CD1-CE 3.38Å; I899-M925 HydrophobicContact CG1-CE 4.45Å; I899-M925 HydrophobicContact CG2-CE 4.08Å
900L87.3Confident80.5Confident0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-99.8135.1177.1-54.9166.9000109F836 L839 W840 M843 L890 M914 A915F836-L900 HydrophobicContact CD2-CD2 3.49Å; F836-L900 VanDerWaalsContact CD2-CD2 3.49Å; F836-L900 HydrophobicContact CE2-CB 3.9Å; F836-L900 HydrophobicContact CE2-CD2 3.63Å; F836-L900 HydrophobicContact CE2-CG 4.34Å; F836-L900 HydrophobicContact CG-CD2 4.38Å; F836-L900 HydrophobicContact CZ-CB 4.36Å; L839-L900 HydrophobicContact CB-CD1 3.83Å; W840-L900 HydrophobicContact CB-CD1 4.1Å; W840-L900 HydrophobicContact CE3-CB 3.55Å; W840-L900 HydrophobicContact CE3-CD1 3.99Å; W840-L900 HydrophobicContact CE3-CG 4.41Å; W840-L900 HydrophobicContact CZ3-CB 3.71Å; M843-L900 HydrophobicContact CE-CD1 4.04Å; M843-L900 HydrophobicContact SD-CD1 3.6Å; M843-L900 HydrophobicContact SD-CG 4.28Å; L890-L900 HydrophobicContact CB-CD2 4.22Å; L890-L900 HydrophobicContact CD1-CD2 3.63Å; L890-L900 HydrophobicContact CG-CD2 3.63Å; L900-M914 CarbonylContact O-C 3.25Å; L900-M914 VanDerWaalsContact O-CA 3.29Å; L900-M914 WeakPolarHBondContact O-CA 3.44Å; L900-A915 HydrophobicContact CB-CB 4.29Å; L900-A915 HydrophobicContact CD1-CB 4.31Å; L900-A915 PolarHBondContact N-O 3.43Å; L900-A915 PolarHBondContact O-N 2.96Å
901L86.7Confident80.5Confident0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-124.3126.6179.2-59.1173.8000110F872 R888 A889 L891 I899 I903 N913 M914F872-L901 HydrophobicContact CD1-CD1 4.11Å; F872-L901 HydrophobicContact CE1-CD1 3.63Å; F872-L901 HydrophobicContact CZ-CD1 4.15Å; R888-L901 WeakPolarHBondContact CA-O 3.4Å; A889-L901 HydrophobicContact CB-CB 4.26Å; A889-L901 HydrophobicContact CB-CD1 4.45Å; A889-L901 PolarHBondContact N-O 3.48Å; A889-L901 PolarHBondContact O-N 2.88Å; L891-L901 HydrophobicContact CD1-CD1 4.03Å; I899-L901 HydrophobicContact CG2-CD2 4.11Å; I899-L901 HydrophobicContact CG2-CG 4.39Å; L901-I903 HydrophobicContact CB-CD1 4.48Å; L901-I903 HydrophobicContact CB-CG1 4.23Å; L901-N913 CarbonylContact C-O 3.45Å; L901-N913 WeakPolarHBondContact CA-O 3.47Å; L901-M914 HydrophobicContact CD2-CB 4.13Å; L901-M914 HydrophobicContact CD2-CE 3.54Å; L901-M914 HydrophobicContact CD2-CG 3.59Å; L901-M914 HydrophobicContact CD2-SD 4.28Å
902K86.7Confident80.5Confident23 Ų2337 Ų3710%0.120%0.198CC..EExtended strand (participates in β ladder)trans-111.2108.4166-77.4-176.5-177.8175.20108F836 E837 W840 E886 R888 N913F836-K902 HydrophobicContact CE1-CG 4.23Å; F836-K902 HydrophobicContact CZ-CG 3.99Å; E837-K902 IonicContact OE2-NZ 3.17Å; E837-K902 PolarHBondContact OE2-NZ 3.25Å; W840-K902 HydrophobicContact CD2-CD 3.92Å; W840-K902 VanDerWaalsContact CD2-CE 3.48Å; W840-K902 HydrophobicContact CD2-CG 4.43Å; W840-K902 HydrophobicContact CE3-CD 4.14Å; W840-K902 HydrophobicContact CE3-CG 4.14Å; W840-K902 HydrophobicContact CH2-CB 3.94Å; W840-K902 HydrophobicContact CH2-CD 3.88Å; W840-K902 HydrophobicContact CH2-CG 3.82Å; W840-K902 HydrophobicContact CZ2-CB 4.42Å; W840-K902 HydrophobicContact CZ2-CD 3.63Å; W840-K902 HydrophobicContact CZ2-CG 4.13Å; W840-K902 HydrophobicContact CZ3-CB 4.28Å; W840-K902 HydrophobicContact CZ3-CD 4.13Å; W840-K902 HydrophobicContact CZ3-CG 3.83Å; E886-K902 HydrophobicContact CG-CB 4.45Å; E886-K902 WeakPolarHBondContact OE1-CB 3.38Å; E886-K902 WeakPolarHBondContact OE1-CD 3.46Å; R888-K902 HydrophobicContact CG-CG 4.41Å; K902-N913 HydrophobicContact CB-CB 4.03Å; K902-N913 PolarHBondContact N-O 2.8Å; K902-N913 PolarHBondContact O-N 3.4Å
903I85.3Confident80.5Confident0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-108.9117.3-170.9-50.7171.8000109L864 V868 E886 F887 L901 H911 F912L864-I903 HydrophobicContact CD1-CG2 3.91Å; L864-I903 HydrophobicContact CD2-CG2 4.22Å; L864-I903 HydrophobicContact CG-CG2 4.4Å; V868-I903 HydrophobicContact CG2-CD1 4.17Å; E886-I903 CarbonylContact C-O 3.49Å; E886-I903 VanDerWaalsContact CA-O 3.28Å; E886-I903 WeakPolarHBondContact CA-O 3.33Å; F887-I903 HydrophobicContact CB-CB 4.21Å; F887-I903 PolarHBondContact N-O 3.43Å; F887-I903 PolarHBondContact O-N 3.08Å; L901-I903 HydrophobicContact CB-CD1 4.48Å; L901-I903 HydrophobicContact CB-CG1 4.23Å; I903-H911 CarbonylContact C-O 3.51Å; I903-H911 VanDerWaalsContact CA-O 3.31Å; I903-H911 WeakPolarHBondContact CA-O 3.41Å; I903-F912 HydrophobicContact CB-CD1 4.4Å; I903-F912 HydrophobicContact CD1-CD1 3.87Å; I903-F912 HydrophobicContact CD1-CE1 3.72Å; I903-F912 HydrophobicContact CG1-CD1 3.65Å; I903-F912 HydrophobicContact CG1-CE1 3.93Å; I903-F912 HydrophobicContact CG1-CG 4.45Å; I903-F912 HydrophobicContact CG2-CD1 4.03Å; I903-F912 HydrophobicContact CG2-CE1 3.79Å; I903-F912 HydrophobicContact CG2-CE2 4.45Å; I903-F912 HydrophobicContact CG2-CG 4.45Å; I903-F912 HydrophobicContact CG2-CZ 4.01Å
904S82.4Confident80.7Confident24 Ų2439.5 Ų39.517%0.16821%0.211CC..EExtended strand (participates in β ladder)trans-129.8150.1-17962.30000112.1H911S904-H911 PolarHBondContact N-O 3.39Å; S904-H911 PolarHBondContact O-N 3.42Å
905S78.1Confident81Confident45 Ų4539.5 Ų39.532%0.31521%0.211SC..EExtended strand (participates in β ladder)trans-102.5128171.9-173.50000110.5
906T71.6Confident81.7Confident64 Ų6437.2 Ų37.239%0.39320%0.196SC..EExtended strand (participates in β ladder)trans-129.3116.4176.248.60000110.1D908 A909 H911T906-D908 PolarHBondContact O-N 3.34Å; T906-A909 PolarHBondContact N-O 3.35Å; T906-A909 PolarHBondContact O-N 3.03Å; T906-A909 PolarHBondContact OG1-O 2.82Å; T906-H911 PolarHBondContact OG1-CE1 3.11Å; T906-H911 VanDerWaalsContact OG1-CE1 3.23Å
907E60.6Low81.9Confident201 Ų20133.4 Ų33.494%0.93918%0.182SC*.THydrogen-bonded Turntrans32.2-34177.1-64.3-171.5173.300120.6
908D63.8Low81.8Confident149 Ų14934.2 Ų34.280%0.79719%0.185SC*.THydrogen-bonded Turntrans-155.97.6170.2-84.7-39.2000114.8T906T906-D908 PolarHBondContact O-N 3.34Å
909A75.9Confident81.4Confident25 Ų2536 Ų3621%0.20720%0.198CC..EExtended strand (participates in β ladder)trans-138.1144.8-178.900000112.6C857 T906C857-A909 WeakPolarHBondContact O-CA 3.31Å; T906-A909 PolarHBondContact N-O 3.35Å; T906-A909 PolarHBondContact O-N 3.03Å; T906-A909 PolarHBondContact OG1-O 2.82Å
910A82.3Confident81.1Confident0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-94.1127.3169.200000109.4C856 C857 L859 L864 F912C856-A910 WeakPolarHBondContact CA-O 3.38Å; C857-A910 PolarHBondContact N-O 2.94Å; C857-A910 VanDerWaalsContact N-O 3.1Å; C857-A910 PolarHBondContact O-N 3.18Å; L859-A910 HydrophobicContact CB-CB 4.12Å; L864-A910 HydrophobicContact CD1-CB 3.84Å; L864-A910 HydrophobicContact CD2-CB 3.97Å; L864-A910 HydrophobicContact CG-CB 4.45Å; A910-F912 HydrophobicContact CB-CE2 4Å
911H84.9Confident80.9Confident53 Ų5344.1 Ų44.125%0.24523%0.228CC..EExtended strand (participates in β ladder)trans-106125.9176.8-66.2164.9000110L854 C856 I903 S904 T906L854-H911 HydrophobicContact CD1-CB 4.02Å; C856-H911 PolarHBondContact SG-CD2 3.45Å; I903-H911 CarbonylContact C-O 3.51Å; I903-H911 VanDerWaalsContact CA-O 3.31Å; I903-H911 WeakPolarHBondContact CA-O 3.41Å; S904-H911 PolarHBondContact N-O 3.39Å; S904-H911 PolarHBondContact O-N 3.42Å; T906-H911 PolarHBondContact OG1-CE1 3.11Å; T906-H911 VanDerWaalsContact OG1-CE1 3.23Å
912F85.6Confident80.7Confident0 Ų045.2 Ų45.20%023%0.234CC..EExtended strand (participates in β ladder)trans-109.495.8172.1-65.3-105.5000107.4F855 L864 L867 I903 A910 L929F855-F912 HydrophobicContact CB-CB 4.16Å; F855-F912 HydrophobicContact CD1-CB 4.39Å; F855-F912 AromaticContact CD1-CD2 3.89Å; F855-F912 HydrophobicContact CD1-CD2 3.89Å; F855-F912 HydrophobicContact CD1-CG 4.33Å; F855-F912 PolarHBondContact N-O 3.1Å; F855-F912 PolarHBondContact O-N 3.2Å; L864-F912 HydrophobicContact CD1-CE2 4.18Å; L864-F912 HydrophobicContact CD1-CZ 3.73Å; L867-F912 HydrophobicContact CD2-CZ 4.38Å; I903-F912 HydrophobicContact CB-CD1 4.4Å; I903-F912 HydrophobicContact CD1-CD1 3.87Å; I903-F912 HydrophobicContact CD1-CE1 3.72Å; I903-F912 HydrophobicContact CG1-CD1 3.65Å; I903-F912 HydrophobicContact CG1-CE1 3.93Å; I903-F912 HydrophobicContact CG1-CG 4.45Å; I903-F912 HydrophobicContact CG2-CD1 4.03Å; I903-F912 HydrophobicContact CG2-CE1 3.79Å; I903-F912 HydrophobicContact CG2-CE2 4.45Å; I903-F912 HydrophobicContact CG2-CG 4.45Å; I903-F912 HydrophobicContact CG2-CZ 4.01Å; A910-F912 HydrophobicContact CB-CE2 4Å; F912-L929 HydrophobicContact CB-CD1 4.42Å; F912-L929 HydrophobicContact CD1-CD2 4.13Å; F912-L929 HydrophobicContact CE1-CD2 4.19Å
913N85.9Confident80.6Confident51 Ų5148 Ų4827%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-78.7127.4170.3-69.8-51.5000108.5W840 L854 L901 K902W840-N913 HydrophobicContact CH2-CB 3.91Å; W840-N913 HydrophobicContact CZ2-CB 4.28Å; L854-N913 WeakPolarHBondContact CD1-OD1 3.44Å; L901-N913 CarbonylContact C-O 3.45Å; L901-N913 WeakPolarHBondContact CA-O 3.47Å; K902-N913 HydrophobicContact CB-CB 4.03Å; K902-N913 PolarHBondContact N-O 2.8Å; K902-N913 PolarHBondContact O-N 3.4Å
914M88.6Confident80.5Confident0 Ų050.9 Ų50.90%027%0.268CS..EExtended strand (participates in β ladder)trans-122.9132.1-171.9-50.2-175.669.900110.1I852 S853 F855 I899 L900 L901 M925 L929I852-M914 CarbonylContact C-O 3.56Å; I852-M914 VanDerWaalsContact CA-O 3.25Å; I852-M914 WeakPolarHBondContact CA-O 3.34Å; I852-M914 WeakPolarHBondContact CG2-O 3.5Å; S853-M914 PolarHBondContact N-O 3.38Å; S853-M914 WeakPolarHBondContact O-CB 3.25Å; S853-M914 PolarHBondContact O-N 2.87Å; F855-M914 HydrophobicContact CB-SD 4.47Å; I899-M914 HydrophobicContact CG2-CE 4.11Å; L900-M914 CarbonylContact O-C 3.25Å; L900-M914 VanDerWaalsContact O-CA 3.29Å; L900-M914 WeakPolarHBondContact O-CA 3.44Å; L901-M914 HydrophobicContact CD2-CB 4.13Å; L901-M914 HydrophobicContact CD2-CE 3.54Å; L901-M914 HydrophobicContact CD2-CG 3.59Å; L901-M914 HydrophobicContact CD2-SD 4.28Å; M914-M925 HydrophobicContact CE-CB 3.74Å; M914-M925 HydrophobicContact CE-CG 3.01Å; M914-M925 HydrophobicContact CE-SD 4.45Å; M914-M925 HydrophobicContact SD-CG 4.44Å; M914-L929 HydrophobicContact CE-CD1 4.1Å; M914-L929 HydrophobicContact SD-CD1 3.84Å
915A86.6Confident80.6Confident0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-125.2135168.800000109.4W840 M843 C851 L900W840-A915 HydrophobicContact CD2-CB 4.39Å; W840-A915 HydrophobicContact CE3-CB 3.94Å; W840-A915 HydrophobicContact CH2-CB 4.17Å; W840-A915 HydrophobicContact CZ3-CB 3.82Å; M843-A915 HydrophobicContact CB-CB 4.05Å; M843-A915 HydrophobicContact SD-CB 4.13Å; C851-A915 WeakPolarHBondContact O-CA 3.46Å; L900-A915 HydrophobicContact CB-CB 4.29Å; L900-A915 HydrophobicContact CD1-CB 4.31Å; L900-A915 PolarHBondContact N-O 3.43Å; L900-A915 PolarHBondContact O-N 2.96Å
916T85.3Confident81Confident0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-138.2149.5-179.6-177.40000110.8S850 C851 H898 D918 L922S850-T916 CarbonylContact C-O 3.59Å; S850-T916 VanDerWaalsContact CA-O 3.29Å; S850-T916 WeakPolarHBondContact CA-O 3.43Å; C851-T916 HydrophobicContact CB-CG2 4.2Å; C851-T916 PolarHBondContact N-O 3.39Å; C851-T916 PolarHBondContact O-N 2.89Å; H898-T916 WeakPolarHBondContact O-CA 3.5Å; H898-T916 PolarHBondContact O-OG1 2.94Å; T916-D918 VanDerWaalsContact CG2-O 3.23Å; T916-D918 WeakPolarHBondContact CG2-O 3.4Å; T916-D918 PolarHBondContact OG1-N 3.15Å; T916-D918 PolarHBondContact OG1-O 3.01Å; T916-L922 HydrophobicContact CG2-CD1 4.23Å; T916-L922 HydrophobicContact CG2-CD2 3.74Å; T916-L922 HydrophobicContact CG2-CG 3.8Å
917D84.1Confident81.6Confident44 Ų4450 Ų5024%0.23526%0.26CS..SBendtrans-85.2-10170.952.18.3000113.6M843 E849 S897 H898M843-D917 HydrophobicContact CE-CB 4.08Å; E849-D917 CarbonylContact C-O 3.5Å; E849-D917 CarbonylContact O-C 3.59Å; S897-D917 VanDerWaalsContact CA-OD1 3.22Å; S897-D917 WeakPolarHBondContact CA-OD1 2.87Å; S897-D917 WeakPolarHBondContact CA-OD2 3.43Å; S897-D917 WeakPolarHBondContact CB-OD1 2.89Å; H898-D917 IonicContact CE1-OD2 3.12Å; H898-D917 IonicContact CG-OD2 3.68Å; H898-D917 VanDerWaalsContact N-CG 3.29Å; H898-D917 PolarHBondContact N-OD1 3.3Å; H898-D917 PolarHBondContact N-OD2 3.05Å; H898-D917 VanDerWaalsContact N-OD2 3.1Å; H898-D917 IonicContact ND1-OD2 2.67Å; H898-D917 PolarHBondContact ND1-OD2 2.85Å
918D80.9Confident82.7Confident36 Ų3641.3 Ų41.319%0.19322%0.219CC..  trans-129.9109.6169.1-174.7-4000110.6T916 R920 L921T916-D918 VanDerWaalsContact CG2-O 3.23Å; T916-D918 WeakPolarHBondContact CG2-O 3.4Å; T916-D918 PolarHBondContact OG1-N 3.15Å; T916-D918 PolarHBondContact OG1-O 3.01Å; D918-R920 PolarHBondContact O-N 3.47Å; D918-R920 VanDerWaalsContact OD1-CB 3.3Å; D918-R920 WeakPolarHBondContact OD1-CB 3.45Å; D918-R920 WeakPolarHBondContact OD1-CG 3.4Å; D918-R920 PolarHBondContact OD1-N 3.06Å; D918-R920 IonicContact OD1-NE 3.68Å; D918-L921 HydrophobicContact CB-CD1 3.9Å; D918-L921 HydrophobicContact CB-CG 4.17Å; D918-L921 PolarHBondContact O-N 3.04Å
919C79.4Confident83.7Confident42 Ų4234.3 Ų34.328%0.28418%0.181SC..G310 helixtrans-60-24.4179.4-54.30000113.5E849 C851 L921 L922E849-C919 PolarHBondContact O-SG 3.38Å; C851-C919 HydrophobicContact CB-CB 3.84Å; C851-C919 WeakPolarHBondContact CB-SG 3.05Å; C851-C919 WeakPolarHBondContact SG-CB 3.45Å; C851-C919 CovalentContact SG-SG 2.02Å; C851-C919 PolarHBondContact SG-SG 3.38Å; C919-L921 PolarHBondContact O-N 3.05Å; C919-L922 PolarHBondContact O-N 3.26Å
920R81.2Confident84.1Confident169 Ų16937.8 Ų37.864%0.63820%0.196SC*.G310 helixtrans-70.9-14.1-178.1-57.2174.9-147.9-172.67.8112.8Y785 D918 P923Y785-R920 WeakPolarHBondContact OH-CB 3.44Å; Y785-R920 WeakPolarHBondContact OH-CD 3.42Å; D918-R920 PolarHBondContact O-N 3.47Å; D918-R920 VanDerWaalsContact OD1-CB 3.3Å; D918-R920 WeakPolarHBondContact OD1-CB 3.45Å; D918-R920 WeakPolarHBondContact OD1-CG 3.4Å; D918-R920 PolarHBondContact OD1-N 3.06Å; D918-R920 IonicContact OD1-NE 3.68Å; R920-P923 WeakPolarHBondContact O-CD 3.42Å
921L82.9Confident84.1Confident0 Ų045.1 Ų45.10%023%0.228CC..G310 helixtrans-82.6-18177.5-60.9170.2000113.4P784 Y785 F814 L893 I899 D918 C919 H924 M925P784-L921 HydrophobicContact CG-CD1 4.34Å; P784-L921 HydrophobicContact CG-CD2 3.88Å; Y785-L921 HydrophobicContact CD1-CD2 3.95Å; Y785-L921 HydrophobicContact CE1-CD2 3.56Å; F814-L921 HydrophobicContact CE2-CD2 4.16Å; F814-L921 HydrophobicContact CZ-CD2 4.41Å; L893-L921 HydrophobicContact CD1-CD1 3.71Å; L893-L921 HydrophobicContact CD1-CD2 4.45Å; I899-L921 HydrophobicContact CD1-CB 4.09Å; I899-L921 HydrophobicContact CD1-CD1 4.43Å; D918-L921 HydrophobicContact CB-CD1 3.9Å; D918-L921 HydrophobicContact CB-CG 4.17Å; D918-L921 PolarHBondContact O-N 3.04Å; C919-L921 PolarHBondContact O-N 3.05Å; L921-H924 PolarHBondContact O-N 3.28Å; L921-M925 PolarHBondContact O-N 3.29Å
922L82.8Confident84Confident23 Ų2342.9 Ų42.912%0.1222%0.218CC..Hα-helixtrans-60.5-42.5-176.6-67.6174.2000114C851 T916 C919 H924 M925 N926C851-L922 HydrophobicContact CB-CD1 3.78Å; T916-L922 HydrophobicContact CG2-CD1 4.23Å; T916-L922 HydrophobicContact CG2-CD2 3.74Å; T916-L922 HydrophobicContact CG2-CG 3.8Å; C919-L922 PolarHBondContact O-N 3.26Å; L922-H924 VanDerWaalsContact C-N 3.34Å; L922-H924 PolarHBondContact O-N 2.78Å; L922-M925 PolarHBondContact O-N 3.03Å; L922-N926 WeakPolarHBondContact O-CB 3.38Å; L922-N926 PolarHBondContact O-N 3.13Å
923P83.4Confident83.7Confident82 Ų8243.3 Ų43.353%0.53222%0.221SC..Hα-helixtrans-61.6-41.2176.5-23.134.9000112.8R920 N926 S927R920-P923 WeakPolarHBondContact O-CD 3.42Å; P923-N926 PolarHBondContact O-N 3.08Å; P923-S927 PolarHBondContact O-N 3.14Å; P923-S927 PolarHBondContact O-OG 3.28Å
924H83.9Confident83.1Confident61 Ų6143.4 Ų43.428%0.28223%0.225SC..Hα-helixtrans-65.2-40.1177-63.8-63.9000111.7Y785 F814 L921 L922 S927 Y928Y785-H924 AromaticContact CD1-CD2 3.76Å; Y785-H924 AromaticContact CD1-NE2 3.69Å; Y785-H924 AromaticContact CE1-CD2 4Å; F814-H924 HydrophobicContact CD1-CB 3.91Å; F814-H924 HydrophobicContact CD2-CB 4.03Å; F814-H924 HydrophobicContact CE1-CB 3.83Å; F814-H924 HydrophobicContact CE2-CB 3.96Å; F814-H924 HydrophobicContact CG-CB 4.02Å; F814-H924 HydrophobicContact CZ-CB 3.86Å; L921-H924 PolarHBondContact O-N 3.28Å; L922-H924 VanDerWaalsContact C-N 3.34Å; L922-H924 PolarHBondContact O-N 2.78Å; H924-S927 PolarHBondContact O-OG 2.83Å; H924-Y928 WeakPolarHBondContact O-CB 3.48Å; H924-Y928 PolarHBondContact O-N 3.23Å
925M85.8Confident81.8Confident0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-71.5-37.6176.3-167.558.779.600112.9F814 F818 L891 I899 M914 L921 L922 Y928 L929F814-M925 HydrophobicContact CE1-CB 4.02Å; F814-M925 HydrophobicContact CE1-CE 3.73Å; F814-M925 HydrophobicContact CE1-SD 4.12Å; F814-M925 HydrophobicContact CZ-CE 4.32Å; F818-M925 HydrophobicContact CE1-CE 3.84Å; F818-M925 HydrophobicContact CE2-CE 4.28Å; F818-M925 HydrophobicContact CZ-CE 3.53Å; F818-M925 HydrophobicContact CZ-SD 3.95Å; L891-M925 HydrophobicContact CD1-CE 3.4Å; L891-M925 VanDerWaalsContact CD1-CE 3.4Å; L891-M925 HydrophobicContact CD1-SD 4.42Å; I899-M925 HydrophobicContact CB-CE 4.33Å; I899-M925 HydrophobicContact CD1-CB 4.42Å; I899-M925 HydrophobicContact CD1-CE 3.38Å; I899-M925 HydrophobicContact CG1-CE 4.45Å; I899-M925 HydrophobicContact CG2-CE 4.08Å; M914-M925 HydrophobicContact CE-CB 3.74Å; M914-M925 HydrophobicContact CE-CG 3.01Å; M914-M925 HydrophobicContact CE-SD 4.45Å; M914-M925 HydrophobicContact SD-CG 4.44Å; L921-M925 PolarHBondContact O-N 3.29Å; L922-M925 PolarHBondContact O-N 3.03Å; M925-Y928 WeakPolarHBondContact O-CB 3.44Å; M925-Y928 PolarHBondContact O-N 3.21Å; M925-Y928 HydrophobicContact SD-CD1 3.72Å; M925-Y928 HydrophobicContact SD-CG 4.45Å; M925-L929 HydrophobicContact CG-CD1 4.47Å; M925-L929 WeakPolarHBondContact O-CG 3.34Å; M925-L929 PolarHBondContact O-N 2.84Å
926N84.8Confident80.5Confident48 Ų4847 Ų4726%0.25725%0.249SC..Hα-helixtrans-61.8-45.8173.9-79.6-19.2000111.5L922 P923 Y928 L929 L930L922-N926 WeakPolarHBondContact O-CB 3.38Å; L922-N926 PolarHBondContact O-N 3.13Å; P923-N926 PolarHBondContact O-N 3.08Å; N926-Y928 VanDerWaalsContact C-N 3.32Å; N926-Y928 PolarHBondContact O-N 2.94Å; N926-L929 PolarHBondContact O-N 3.42Å; N926-L930 WeakPolarHBondContact O-CB 3.33Å; N926-L930 VanDerWaalsContact O-CG 3.32Å; N926-L930 WeakPolarHBondContact O-CG 3.37Å; N926-L930 PolarHBondContact O-N 3.34Å
927S84.3Confident79.1Confident66 Ų6652.2 Ų52.246%0.46227%0.273SS..Hα-helixtrans-62.7-37.3175.362.30000112.7P923 H924 K931P923-S927 PolarHBondContact O-N 3.14Å; P923-S927 PolarHBondContact O-OG 3.28Å; H924-S927 PolarHBondContact O-OG 2.83Å; S927-K931 WeakPolarHBondContact O-CB 3.18Å; S927-K931 PolarHBondContact O-N 3.32Å; S927-K931 VanDerWaalsContact O-N 3.11Å
928Y84.9Confident77.3Confident19 Ų1956.4 Ų56.48%0.07530%0.295CS..Hα-helixtrans-62.5-50.4172.7174.2-106.9000112Q815 F818 H871 F872 H924 M925 N926 L930 K931 V932Q815-Y928 HydrophobicContact CB-CD2 4.06Å; Q815-Y928 HydrophobicContact CB-CE2 3.55Å; Q815-Y928 HydrophobicContact CG-CE2 4.45Å; F818-Y928 HydrophobicContact CE2-CD1 4.09Å; F818-Y928 AromaticContact CE2-CE1 3.75Å; F818-Y928 HydrophobicContact CE2-CE1 3.75Å; F818-Y928 HydrophobicContact CE2-CE2 4.48Å; F818-Y928 AromaticContact CE2-CZ 3.95Å; F818-Y928 HydrophobicContact CZ-CD1 4.22Å; F818-Y928 HydrophobicContact CZ-CE1 4.34Å; F818-Y928 HydrophobicContact CZ-CG 4.47Å; H871-Y928 PolarHBondContact ND1-OH 3.09Å; F872-Y928 HydrophobicContact CE1-CE1 4.26Å; F872-Y928 AromaticContact CZ-CE1 3.87Å; F872-Y928 HydrophobicContact CZ-CE1 3.87Å; H924-Y928 WeakPolarHBondContact O-CB 3.48Å; H924-Y928 PolarHBondContact O-N 3.23Å; M925-Y928 WeakPolarHBondContact O-CB 3.44Å; M925-Y928 PolarHBondContact O-N 3.21Å; M925-Y928 HydrophobicContact SD-CD1 3.72Å; M925-Y928 HydrophobicContact SD-CG 4.45Å; N926-Y928 VanDerWaalsContact C-N 3.32Å; N926-Y928 PolarHBondContact O-N 2.94Å; Y928-L930 PolarHBondContact O-N 2.89Å; Y928-K931 WeakPolarHBondContact O-CB 3.46Å; Y928-K931 PolarHBondContact O-N 3.18Å; Y928-K931 VanDerWaalsContact O-N 3.17Å; Y928-V932 HydrophobicContact CD2-CG2 4.12Å; Y928-V932 HydrophobicContact CE1-CG2 4.09Å; Y928-V932 HydrophobicContact CE2-CG2 3.61Å; Y928-V932 WeakPolarHBondContact O-CG2 3.44Å; Y928-V932 PolarHBondContact O-N 3.39Å
929L84.3Confident75.5Confident1 Ų158.8 Ų58.81%0.00532%0.315CS..Hα-helixtrans-59.9-45.7179-72.6175.5000111.4F855 F872 F912 M914 M925 N926 K931 V932 T933F855-L929 HydrophobicContact CB-CD1 4.14Å; F855-L929 HydrophobicContact CD1-CB 4.17Å; F855-L929 HydrophobicContact CD1-CD1 4.01Å; F855-L929 HydrophobicContact CE1-CB 3.97Å; F855-L929 HydrophobicContact CE2-CB 4.38Å; F855-L929 HydrophobicContact CG-CB 4.46Å; F855-L929 HydrophobicContact CG-CD1 4.01Å; F855-L929 HydrophobicContact CZ-CB 4.08Å; F872-L929 HydrophobicContact CE2-CD2 4.31Å; F872-L929 HydrophobicContact CZ-CD2 3.86Å; F912-L929 HydrophobicContact CB-CD1 4.42Å; F912-L929 HydrophobicContact CD1-CD2 4.13Å; F912-L929 HydrophobicContact CE1-CD2 4.19Å; M914-L929 HydrophobicContact CE-CD1 4.1Å; M914-L929 HydrophobicContact SD-CD1 3.84Å; M925-L929 HydrophobicContact CG-CD1 4.47Å; M925-L929 WeakPolarHBondContact O-CG 3.34Å; M925-L929 PolarHBondContact O-N 2.84Å; N926-L929 PolarHBondContact O-N 3.42Å; L929-K931 VanDerWaalsContact C-N 3.3Å; L929-K931 PolarHBondContact O-N 3.18Å; L929-V932 PolarHBondContact O-N 3.31Å; L929-T933 WeakPolarHBondContact O-CG2 3.15Å; L929-T933 PolarHBondContact O-N 3.01Å; L929-T933 PolarHBondContact O-OG1 3.16Å
930L84.4Confident73.7Confident99 Ų9962.5 Ų62.552%0.51834%0.336SS..Hα-helixtrans-56.1-42.6174.8-75.7168.6000112.5F855 N926 Y928 T933 S934F855-L930 HydrophobicContact CE2-CD2 3.74Å; F855-L930 HydrophobicContact CE2-CG 3.8Å; F855-L930 HydrophobicContact CZ-CD2 3.85Å; F855-L930 HydrophobicContact CZ-CG 4.1Å; N926-L930 WeakPolarHBondContact O-CB 3.33Å; N926-L930 VanDerWaalsContact O-CG 3.32Å; N926-L930 WeakPolarHBondContact O-CG 3.37Å; N926-L930 PolarHBondContact O-N 3.34Å; Y928-L930 PolarHBondContact O-N 2.89Å; L930-T933 PolarHBondContact O-OG1 3.24Å; L930-S934 VanDerWaalsContact O-CB 3.3Å; L930-S934 WeakPolarHBondContact O-CB 3.45Å; L930-S934 PolarHBondContact O-N 2.88Å; L930-S934 PolarHBondContact O-OG 3.33Å
931K82.8Confident71.3Confident153 Ų15361.9 Ų61.967%0.66536%0.358SS*.Hα-helixtrans-66.7-41.7179-172.8179.1-178.4179.10111.9S927 Y928 L929 S934 S935S927-K931 WeakPolarHBondContact O-CB 3.18Å; S927-K931 PolarHBondContact O-N 3.32Å; S927-K931 VanDerWaalsContact O-N 3.11Å; Y928-K931 WeakPolarHBondContact O-CB 3.46Å; Y928-K931 PolarHBondContact O-N 3.18Å; Y928-K931 VanDerWaalsContact O-N 3.17Å; L929-K931 VanDerWaalsContact C-N 3.3Å; L929-K931 PolarHBondContact O-N 3.18Å; K931-S934 PolarHBondContact O-OG 2.73Å; K931-S935 WeakPolarHBondContact O-CB 3.25Å; K931-S935 PolarHBondContact O-N 3.03Å
932V81.8Confident70.8Confident7 Ų765 Ų654%0.04238%0.376CS..Hα-helixtrans-71.6-42.6-179.3176.90000110.8L867 H871 Y928 L929 S935L867-V932 HydrophobicContact CD1-CG1 3.84Å; L867-V932 HydrophobicContact CD2-CG1 4.18Å; L867-V932 HydrophobicContact CG-CG1 3.77Å; H871-V932 HydrophobicContact CB-CG1 4.43Å; H871-V932 WeakPolarHBondContact CD2-CG1 3.42Å; Y928-V932 HydrophobicContact CD2-CG2 4.12Å; Y928-V932 HydrophobicContact CE1-CG2 4.09Å; Y928-V932 HydrophobicContact CE2-CG2 3.61Å; Y928-V932 WeakPolarHBondContact O-CG2 3.44Å; Y928-V932 PolarHBondContact O-N 3.39Å; L929-V932 PolarHBondContact O-N 3.31Å; V932-S935 PolarHBondContact O-N 2.85Å; V932-S935 PolarHBondContact O-OG 3.31Å
933T80.5Confident70.1Confident9 Ų967.2 Ų67.26%0.05539%0.389CS..Hα-helixtrans-69.1-41.2-179.456.70000112.6F855 C857 L859 L867 L929 L930 S935 L936F855-T933 HydrophobicContact CE1-CG2 4.25Å; C857-T933 HydrophobicContact CB-CG2 4.38Å; L859-T933 HydrophobicContact CD1-CG2 4.31Å; L867-T933 HydrophobicContact CD1-CG2 3.94Å; L929-T933 WeakPolarHBondContact O-CG2 3.15Å; L929-T933 PolarHBondContact O-N 3.01Å; L929-T933 PolarHBondContact O-OG1 3.16Å; L930-T933 PolarHBondContact O-OG1 3.24Å; T933-S935 VanDerWaalsContact C-N 3.32Å; T933-S935 PolarHBondContact O-N 3.42Å; T933-L936 PolarHBondContact O-N 3.45Å
934S72.3Confident69.4Low52 Ų5266.4 Ų66.436%0.36438%0.381SS..Hα-helixtrans-66.3-29.9176.655.30000113.6L930 K931 L936L930-S934 VanDerWaalsContact O-CB 3.3Å; L930-S934 WeakPolarHBondContact O-CB 3.45Å; L930-S934 PolarHBondContact O-N 2.88Å; L930-S934 PolarHBondContact O-OG 3.33Å; K931-S934 PolarHBondContact O-OG 2.73Å; S934-L936 VanDerWaalsContact C-N 3.27Å; S934-L936 PolarHBondContact O-N 3.49Å
935S61.4Low68.5Low55 Ų5566.7 Ų66.739%0.38539%0.387SS..Hα-helixtrans-67.1-26.4177.375.70000113.7K931 V932 T933K931-S935 WeakPolarHBondContact O-CB 3.25Å; K931-S935 PolarHBondContact O-N 3.03Å; V932-S935 PolarHBondContact O-N 2.85Å; V932-S935 PolarHBondContact O-OG 3.31Å; T933-S935 VanDerWaalsContact C-N 3.32Å; T933-S935 PolarHBondContact O-N 3.42Å
936L60.3Low67.5Low21 Ų2170.9 Ų70.911%0.1141%0.411CS..Hα-helixtrans-82.8-35177.8-95.386.6000112.8A863 L867 T933 S934 N938 S939 V940A863-L936 HydrophobicContact CB-CD2 4.36Å; L867-L936 HydrophobicContact CB-CD2 4.11Å; L867-L936 HydrophobicContact CD1-CD1 4.34Å; T933-L936 PolarHBondContact O-N 3.45Å; S934-L936 VanDerWaalsContact C-N 3.27Å; S934-L936 PolarHBondContact O-N 3.49Å; L936-N938 PolarHBondContact O-N 3.12Å; L936-S939 PolarHBondContact O-N 3.32Å; L936-S939 PolarHBondContact O-OG 3.09Å; L936-V940 PolarHBondContact O-N 2.68Å
937E54.4Low66.3Low110 Ų11072.4 Ų72.451%0.51442%0.421SS..Hα-helixtrans-58-36.2175.4-73.5177.9172.500111.8S939E937-S939 VanDerWaalsContact C-N 3.31Å; E937-S939 PolarHBondContact O-N 3.5Å
938N46Very low65Low131 Ų13172.9 Ų72.970%0.70142%0.419SS*.THydrogen-bonded Turntrans-76.7-11.8177.3-71.6-29.7000114.5L936L936-N938 PolarHBondContact O-N 3.12Å
939S44.2Very low63.5Low86 Ų8677 Ų7760%0.60145%0.445SS*.THydrogen-bonded Turntrans-96.3-7178.867.60000113.8L936 E937L936-S939 PolarHBondContact O-N 3.32Å; L936-S939 PolarHBondContact O-OG 3.09Å; E937-S939 VanDerWaalsContact C-N 3.31Å; E937-S939 PolarHBondContact O-N 3.5Å
940V40.5Very low61.8Low120 Ų12083.3 Ų83.373%0.72748%0.482SS*.  trans-117.15.6-178.3-1730000111.7L936L936-V940 PolarHBondContact O-N 2.68Å
941S32.7Very low59.7Low157 Ų15781.9 Ų81.9100%1.09848%0.478SS*.  trans-91.30169.647.40000113.5

Retrieved 941 of 941 residues in 309.1 ms (Link to these results)

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