G4VE77_SCHMA Loading...

LisH domain-containing protein

AlphaFold DB , UniProt , Accession G4VE77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 561 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.1Very low56.7Low241 Ų241150.8 Ų150.8100%1.18782%0.817SS**  0136.90-69.4175.9171.700107.8
2Y38.9Very low59.2Low238 Ų238143.9 Ų143.993%0.93379%0.789SS**  trans-116.9122.6173.8-72.4-73.2000109.2K4Y2-K4 PolarHBondContact O-N 3.49Å
3G53Low61.6Low73 Ų73142.8 Ų142.875%0.75378%0.781SS**PPolyproline II helixtrans-68.9125.7-176.500000110.8N5G3-N5 PolarHBondContact O-N 3.3Å
4K50.5Low63.7Low207 Ų207137.4 Ų137.490%0.977%0.765SS**PPolyproline II helixtrans-63.3124.1-175.2-151.9166.5-171.4175.60109.9Y2 K6Y2-K4 PolarHBondContact O-N 3.49Å; K4-K6 PolarHBondContact O-N 3.46Å
5N49.9Very low65.6Low152 Ų152135.5 Ų135.581%0.81375%0.748SS**PPolyproline II helixtrans-54.8125-168.3-40.818.4000109.9G3 S7G3-N5 PolarHBondContact O-N 3.3Å; N5-S7 PolarHBondContact O-N 3.2Å; N5-S7 VanDerWaalsContact O-N 3.15Å
6K54.1Low67.3Low199 Ų199130.3 Ų130.387%0.86572%0.724SS**  trans-64.3115.8163-70.2179.6180178.10106.7K4 V8K4-K6 PolarHBondContact O-N 3.46Å; K6-V8 PolarHBondContact O-N 3.34Å
7S51.8Low68.9Low114 Ų114131.8 Ų131.880%0.79772%0.722SS**  trans-62.3107.7170.338.10000108.1N5 G9N5-S7 PolarHBondContact O-N 3.2Å; N5-S7 VanDerWaalsContact O-N 3.15Å; S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 3.2Å
8V62.7Low70.2Confident146 Ų146128.9 Ų128.989%0.88570%0.702SS**  trans-65.397.5165.8179.30000105.4K6K6-V8 PolarHBondContact O-N 3.34Å
9G66.9Low71.5Confident55 Ų55128.3 Ų128.357%0.56769%0.692SS**PPolyproline II helixtrans-59.3143.9-174.500000110.9S7S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 3.2Å
10I77.1Confident72.7Confident167 Ų167126.6 Ų126.686%0.85668%0.682SS**PPolyproline II helixtrans-53.2125.7168.7-59.7173.3000106.8S12I10-S12 PolarHBondContact O-N 2.85Å; I10-S12 VanDerWaalsContact O-N 3.16Å
11P77Confident73.8Confident67 Ų67121.1 Ų121.144%0.43565%0.654SS.*PPolyproline II helixtrans-63.9121.2-177.826-33.7000109.1
12S87Confident76.3Confident68 Ų68111.4 Ų111.448%0.47661%0.609SS.*PPolyproline II helixtrans-56.3145.3171.6172.10000110I10 A14 Q15 S16I10-S12 PolarHBondContact O-N 2.85Å; I10-S12 VanDerWaalsContact O-N 3.16Å; S12-A14 PolarHBondContact O-N 3.33Å; S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.47Å; S12-Q15 PolarHBondContact O-N 3.08Å; S12-S16 PolarHBondContact O-N 3.4Å; S12-S16 PolarHBondContact O-OG 3.22Å
13D90.1Very high79Confident129 Ų129103.4 Ų103.469%0.6958%0.577SS**Hα-helixtrans-50.2-31.8179.3-54-92.6000113S16 K17D13-S16 PolarHBondContact O-N 3.15Å; D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 VanDerWaalsContact O-CG 3.24Å; D13-K17 WeakPolarHBondContact O-CG 3.39Å; D13-K17 PolarHBondContact O-N 3.26Å
14A91.1Very high81Confident67 Ų67101.8 Ų101.855%0.55455%0.553SS**Hα-helixtrans-60.4-47.9172.600000112.5S12 E18S12-A14 PolarHBondContact O-N 3.33Å; A14-E18 VanDerWaalsContact O-CB 3.3Å; A14-E18 WeakPolarHBondContact O-CB 3.35Å; A14-E18 PolarHBondContact O-N 3.04Å
15Q91.6Very high83.2Confident110 Ų11093.6 Ų93.651%0.51452%0.516SS..Hα-helixtrans-68.9-35.7176.3-64.9-172.616.200112.2S12 E18 K19S12-Q15 WeakPolarHBondContact O-CA 3.44Å; S12-Q15 WeakPolarHBondContact O-CB 3.47Å; S12-Q15 PolarHBondContact O-N 3.08Å; Q15-E18 PolarHBondContact O-N 3.41Å; Q15-K19 WeakPolarHBondContact O-CB 2.8Å; Q15-K19 WeakPolarHBondContact O-CG 2.89Å; Q15-K19 PolarHBondContact O-N 2.9Å
16S93.7Very high85.4Confident52 Ų5287.2 Ų87.236%0.36448%0.482SS..Hα-helixtrans-65.5-43.2177.2-60.20000111.2S12 D13 L20S12-S16 PolarHBondContact O-N 3.4Å; S12-S16 PolarHBondContact O-OG 3.22Å; D13-S16 PolarHBondContact O-N 3.15Å; S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 3.46Å
17K93.3Very high87.3Confident156 Ų15681.5 Ų81.568%0.67846%0.455SS*.Hα-helixtrans-67.9-38.6173.6-70.8174.267.3172.60112.4D13 L20 A21D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 VanDerWaalsContact O-CG 3.24Å; D13-K17 WeakPolarHBondContact O-CG 3.39Å; D13-K17 PolarHBondContact O-N 3.26Å; K17-L20 PolarHBondContact O-N 2.99Å; K17-A21 PolarHBondContact O-N 2.91Å
18E93.9Very high89.5Confident80 Ų8077.3 Ų77.337%0.37442%0.424SS..Hα-helixtrans-60-49.9174.6-173.8173.5151.200111.2A14 Q15 L20 A21 V22 W46 K48A14-E18 VanDerWaalsContact O-CB 3.3Å; A14-E18 WeakPolarHBondContact O-CB 3.35Å; A14-E18 PolarHBondContact O-N 3.04Å; Q15-E18 PolarHBondContact O-N 3.41Å; E18-L20 PolarHBondContact O-N 3.17Å; E18-A21 PolarHBondContact O-N 2.92Å; E18-V22 PolarHBondContact O-N 2.83Å; E18-W46 HydrophobicContact CG-CH2 3.51Å; E18-W46 HydrophobicContact CG-CZ3 3.96Å; E18-W46 WeakPolarHBondContact O-CH2 3.45Å; E18-K48 IonicContact OE1-NZ 2.74Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.85Å; E18-K48 PolarHBondContact OE2-NZ 2.77Å
19K93.7Very high91Very high116 Ų11671.4 Ų71.450%0.50439%0.388SS..Hα-helixtrans-63.7-39.9176.1-73.7179.4178.1-178.10112.8Q15 A21 V22 Y23Q15-K19 WeakPolarHBondContact O-CB 2.8Å; Q15-K19 WeakPolarHBondContact O-CG 2.89Å; Q15-K19 PolarHBondContact O-N 2.9Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 2.95Å; K19-V22 WeakPolarHBondContact O-CB 3.04Å; K19-V22 PolarHBondContact O-N 3.13Å; K19-Y23 HydrophobicContact CB-CD2 4.49Å; K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.31Å; K19-Y23 VanDerWaalsContact O-CG 3.31Å; K19-Y23 PolarHBondContact O-N 3.48Å
20L95.6Very high92.2Very high94 Ų9471 Ų7149%0.49237%0.371SS..Hα-helixtrans-60.8-40.9176.2-177.760.8000111.6S16 K17 E18 Y23 V24 L59S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 PolarHBondContact O-N 3.46Å; K17-L20 PolarHBondContact O-N 2.99Å; E18-L20 PolarHBondContact O-N 3.17Å; L20-Y23 PolarHBondContact O-N 2.93Å; L20-V24 HydrophobicContact CD1-CG2 4.17Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.46Å; L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 3.09Å; L20-L59 HydrophobicContact CD1-CD1 4.5Å
21A95.9Very high93.1Very high13 Ų1367.4 Ų67.411%0.10735%0.353CS..Hα-helixtrans-62.4-42.2175.300000112.5K17 E18 K19 Y23 V24 Y25 F40 I44 W46K17-A21 PolarHBondContact O-N 2.91Å; E18-A21 PolarHBondContact O-N 2.92Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 2.95Å; A21-Y23 PolarHBondContact O-N 3.32Å; A21-V24 PolarHBondContact O-N 3.28Å; A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 PolarHBondContact O-N 3.47Å; A21-F40 HydrophobicContact CB-CE1 4.33Å; A21-F40 HydrophobicContact CB-CZ 4.19Å; A21-I44 HydrophobicContact CB-CD1 3.84Å; A21-W46 HydrophobicContact CB-CE3 4.16Å; A21-W46 HydrophobicContact CB-CH2 4.32Å; A21-W46 HydrophobicContact CB-CZ3 3.67Å
22V95.1Very high93.8Very high37 Ų3766.8 Ų66.822%0.22436%0.359CS..Hα-helixtrans-56.6-50.5172.9175.30000111E18 K19 V24 Y25 E26 W46 I50E18-V22 PolarHBondContact O-N 2.83Å; K19-V22 WeakPolarHBondContact O-CB 3.04Å; K19-V22 PolarHBondContact O-N 3.13Å; V22-V24 PolarHBondContact O-N 3.44Å; V22-Y25 PolarHBondContact O-N 3Å; V22-E26 WeakPolarHBondContact O-CB 3.46Å; V22-E26 PolarHBondContact O-N 3.09Å; V22-W46 HydrophobicContact CG2-CH2 3.6Å; V22-W46 HydrophobicContact CG2-CZ2 3.54Å; V22-I50 HydrophobicContact CG1-CG2 3.91Å; V22-I50 HydrophobicContact CG2-CD1 4.38Å; V22-I50 HydrophobicContact CG2-CG1 4.22Å
23Y95.1Very high94.2Very high69 Ų6964.8 Ų64.827%0.27135%0.347SS..Hα-helixtrans-68.4-31.9-177.8-63.5-38.7000113.5K19 L20 A21 Y27 F58K19-Y23 HydrophobicContact CB-CD2 4.49Å; K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.31Å; K19-Y23 VanDerWaalsContact O-CG 3.31Å; K19-Y23 PolarHBondContact O-N 3.48Å; L20-Y23 PolarHBondContact O-N 2.93Å; A21-Y23 PolarHBondContact O-N 3.32Å; Y23-Y27 WeakPolarHBondContact O-CB 3.44Å; Y23-Y27 PolarHBondContact O-N 3.22Å; Y23-F58 HydrophobicContact CD1-CB 3.8Å; Y23-F58 AromaticContact CD1-CD1 3.72Å; Y23-F58 HydrophobicContact CD1-CD1 3.72Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.68Å; Y23-F58 HydrophobicContact CD2-CD1 3.68Å; Y23-F58 HydrophobicContact CD2-CE1 4.01Å; Y23-F58 HydrophobicContact CE1-CB 3.76Å; Y23-F58 AromaticContact CE1-CD1 3.58Å; Y23-F58 HydrophobicContact CE1-CD1 3.58Å; Y23-F58 HydrophobicContact CE1-CE1 4.37Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.54Å; Y23-F58 HydrophobicContact CE2-CD1 3.54Å; Y23-F58 AromaticContact CE2-CE1 3.61Å; Y23-F58 HydrophobicContact CE2-CE1 3.61Å; Y23-F58 HydrophobicContact CE2-CG 4.43Å; Y23-F58 AromaticContact CG-CD1 3.78Å; Y23-F58 HydrophobicContact CG-CD1 3.78Å; Y23-F58 AromaticContact CZ-CD1 3.48Å; Y23-F58 VanDerWaalsContact CZ-CD1 3.48Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.93Å
24V95.9Very high94.4Very high40 Ų4063 Ų6324%0.24233%0.334CS..Hα-helixtrans-70.1-41.3173168.20000111.1L20 A21 V22 Y27 L28 F40 L59L20-V24 HydrophobicContact CD1-CG2 4.17Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.46Å; L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.45Å; L20-V24 PolarHBondContact O-N 3.09Å; A21-V24 PolarHBondContact O-N 3.28Å; V22-V24 PolarHBondContact O-N 3.44Å; V24-Y27 PolarHBondContact O-N 2.94Å; V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.29Å; V24-L28 PolarHBondContact O-N 2.35Å; V24-F40 HydrophobicContact CB-CE1 4.12Å; V24-F40 HydrophobicContact CB-CZ 4.13Å; V24-F40 HydrophobicContact CG1-CD1 4.35Å; V24-F40 HydrophobicContact CG1-CE1 3.83Å; V24-F40 HydrophobicContact CG1-CE2 4.26Å; V24-F40 HydrophobicContact CG1-CZ 3.77Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å
25Y95.8Very high94.7Very high34 Ų3469 Ų6913%0.13335%0.348CS..Hα-helixtrans-63.6-45.8173.8172.2-97.6000112A21 V22 Y27 L28 V29 A37 L41 I50 V52A21-Y25 WeakPolarHBondContact O-CB 3.44Å; A21-Y25 PolarHBondContact O-N 3.47Å; V22-Y25 PolarHBondContact O-N 3Å; Y25-Y27 VanDerWaalsContact C-N 3.33Å; Y25-Y27 PolarHBondContact O-N 3.41Å; Y25-L28 PolarHBondContact O-N 3.2Å; Y25-V29 HydrophobicContact CD1-CG2 4.42Å; Y25-V29 HydrophobicContact CD2-CG2 4.48Å; Y25-V29 HydrophobicContact CE1-CG2 3.96Å; Y25-V29 HydrophobicContact CE2-CG2 4.01Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.98Å; Y25-A37 HydrophobicContact CD2-CB 3.82Å; Y25-A37 WeakPolarHBondContact CD2-O 3.37Å; Y25-A37 HydrophobicContact CE2-CB 3.75Å; Y25-L41 HydrophobicContact CD2-CD1 3.57Å; Y25-L41 HydrophobicContact CD2-CD2 3.78Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.45Å; Y25-L41 HydrophobicContact CE2-CD1 3.4Å; Y25-L41 VanDerWaalsContact CE2-CD1 3.4Å; Y25-L41 HydrophobicContact CE2-CD2 4.48Å; Y25-L41 HydrophobicContact CE2-CG 3.8Å; Y25-L41 HydrophobicContact CG-CD1 4.17Å; Y25-L41 HydrophobicContact CG-CD2 3.98Å; Y25-L41 HydrophobicContact CG-CG 4.19Å; Y25-I50 HydrophobicContact CD1-CB 4.03Å; Y25-I50 HydrophobicContact CD1-CD1 3.7Å; Y25-I50 HydrophobicContact CD1-CG1 4.48Å; Y25-I50 HydrophobicContact CD1-CG2 3.66Å; Y25-I50 HydrophobicContact CE1-CB 4.08Å; Y25-I50 HydrophobicContact CE1-CD1 4.34Å; Y25-I50 HydrophobicContact CE1-CG2 3.97Å; Y25-I50 HydrophobicContact CG-CD1 3.95Å; Y25-V52 HydrophobicContact CD1-CG2 4.25Å; Y25-V52 HydrophobicContact CE1-CG2 3.68Å
26E95.3Very high95Very high18 Ų1867.6 Ų67.68%0.08435%0.347CS..Hα-helixtrans-54.6-48.2174.5-174.1-168.4172.400111.1V22 V29 H30 V52 G57 F58V22-E26 WeakPolarHBondContact O-CB 3.46Å; V22-E26 PolarHBondContact O-N 3.09Å; E26-V29 PolarHBondContact O-N 2.69Å; E26-H30 VanDerWaalsContact CG-NE2 3.31Å; E26-H30 WeakPolarHBondContact CG-NE2 3.3Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 IonicContact OE1-NE2 2.69Å; E26-H30 PolarHBondContact OE1-NE2 3.46Å; E26-V52 HydrophobicContact CG-CG1 4.21Å; E26-G57 WeakPolarHBondContact OE1-CA 3.26Å; E26-F58 PolarHBondContact OE1-N 2.98Å; E26-F58 VanDerWaalsContact OE1-N 3.14Å
27Y95.8Very high95.1Very high80 Ų8065.1 Ų65.131%0.31433%0.329SS..Hα-helixtrans-61-47.8175.8175.6-113.4000113Y23 V24 Y25 V29 H30 I31 L59 H60Y23-Y27 WeakPolarHBondContact O-CB 3.44Å; Y23-Y27 PolarHBondContact O-N 3.22Å; V24-Y27 PolarHBondContact O-N 2.94Å; Y25-Y27 VanDerWaalsContact C-N 3.33Å; Y25-Y27 PolarHBondContact O-N 3.41Å; Y27-V29 PolarHBondContact O-N 3.24Å; Y27-H30 PolarHBondContact O-N 3.31Å; Y27-H30 VanDerWaalsContact O-N 3.17Å; Y27-I31 HydrophobicContact CD1-CD1 4.46Å; Y27-I31 HydrophobicContact CD2-CG2 3.95Å; Y27-I31 HydrophobicContact CE1-CD1 3.97Å; Y27-I31 HydrophobicContact CE1-CG2 4.47Å; Y27-I31 HydrophobicContact CE2-CG2 3.45Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.45Å; Y27-I31 WeakPolarHBondContact O-CG1 3.42Å; Y27-I31 PolarHBondContact O-N 2.84Å; Y27-L59 HydrophobicContact CD1-CD2 4.42Å; Y27-L59 HydrophobicContact CG-CD2 4.24Å; Y27-H60 HydrophobicContact CD2-CB 4.21Å; Y27-H60 HydrophobicContact CE2-CB 4.39Å; Y27-H60 AromaticContact CE2-ND1 3.86Å
28L96Very high95.2Very high25 Ų2561.4 Ų61.413%0.13132%0.317CS..Hα-helixtrans-60.9-33.4177.2-71.9171.3000112.2V24 Y25 I31 A33 T36 A37 F40V24-L28 HydrophobicContact CG1-CD1 4.06Å; V24-L28 HydrophobicContact CG1-CG 4.47Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.29Å; V24-L28 PolarHBondContact O-N 2.35Å; Y25-L28 PolarHBondContact O-N 3.2Å; L28-I31 HydrophobicContact CD2-CD1 4.28Å; L28-A33 HydrophobicContact CD2-CB 4.2Å; L28-A33 CarbonylContact O-C 3.49Å; L28-A33 WeakPolarHBondContact O-CA 3.42Å; L28-A33 WeakPolarHBondContact O-CB 3.49Å; L28-A33 PolarHBondContact O-N 2.93Å; L28-T36 HydrophobicContact CD1-CG2 4.29Å; L28-T36 HydrophobicContact CD2-CG2 4.08Å; L28-A37 HydrophobicContact CB-CB 3.73Å; L28-F40 HydrophobicContact CD1-CB 4.2Å; L28-F40 HydrophobicContact CD1-CD1 4.39Å; L28-F40 HydrophobicContact CD1-CG 4.32Å
29V94.7Very high95.3Very high23 Ų2360.6 Ų60.614%0.13932%0.32CS..Hα-helixtrans-68.6-48.6172.3163.20000111.4Y25 E26 Y27 I31 G32 A37 V52Y25-V29 HydrophobicContact CD1-CG2 4.42Å; Y25-V29 HydrophobicContact CD2-CG2 4.48Å; Y25-V29 HydrophobicContact CE1-CG2 3.96Å; Y25-V29 HydrophobicContact CE2-CG2 4.01Å; Y25-V29 WeakPolarHBondContact O-CG2 3.48Å; Y25-V29 PolarHBondContact O-N 2.98Å; E26-V29 PolarHBondContact O-N 2.69Å; Y27-V29 PolarHBondContact O-N 3.24Å; V29-I31 PolarHBondContact O-N 3.19Å; V29-G32 PolarHBondContact O-N 2.8Å; V29-A37 HydrophobicContact CG2-CB 3.92Å; V29-V52 HydrophobicContact CB-CG1 4.38Å; V29-V52 HydrophobicContact CB-CG2 4.35Å; V29-V52 HydrophobicContact CG1-CB 4.48Å; V29-V52 HydrophobicContact CG1-CG1 3.74Å; V29-V52 HydrophobicContact CG1-CG2 4.11Å; V29-V52 HydrophobicContact CG2-CG2 4.3Å
30H93.2Very high95.5Very high47 Ų4757.3 Ų57.322%0.21831%0.306CS..Hα-helixtrans-64.9-35.6-177.7-71160.3000113.9E26 Y27 G32 E54 P56 G57E26-H30 VanDerWaalsContact CG-NE2 3.31Å; E26-H30 WeakPolarHBondContact CG-NE2 3.3Å; E26-H30 PolarHBondContact O-N 3.42Å; E26-H30 IonicContact OE1-NE2 2.69Å; E26-H30 PolarHBondContact OE1-NE2 3.46Å; Y27-H30 PolarHBondContact O-N 3.31Å; Y27-H30 VanDerWaalsContact O-N 3.17Å; H30-G32 PolarHBondContact O-N 2.99Å; H30-E54 PolarHBondContact NE2-O 3.48Å; H30-P56 PolarHBondContact CE1-O 2.95Å; H30-P56 PolarHBondContact ND1-O 3.44Å; H30-G57 WeakPolarHBondContact CE1-CA 3.5Å; H30-G57 PolarHBondContact CE1-N 3.38Å; H30-G57 WeakPolarHBondContact ND1-CA 3.31Å; H30-G57 PolarHBondContact ND1-N 2.78Å; H30-G57 WeakPolarHBondContact NE2-CA 3.19Å; H30-G57 PolarHBondContact NE2-N 3.39Å
31I94.3Very high95.4Very high90 Ų9054.2 Ų54.246%0.46229%0.29SS..THydrogen-bonded Turntrans-77.64.6173.671.2179.3000113.4Y27 L28 V29 A33Y27-I31 HydrophobicContact CD1-CD1 4.46Å; Y27-I31 HydrophobicContact CD2-CG2 3.95Å; Y27-I31 HydrophobicContact CE1-CD1 3.97Å; Y27-I31 HydrophobicContact CE1-CG2 4.47Å; Y27-I31 HydrophobicContact CE2-CG2 3.45Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.45Å; Y27-I31 WeakPolarHBondContact O-CG1 3.42Å; Y27-I31 PolarHBondContact O-N 2.84Å; L28-I31 HydrophobicContact CD2-CD1 4.28Å; V29-I31 PolarHBondContact O-N 3.19Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 HydrophobicContact CD1-CB 4.09Å; I31-A33 HydrophobicContact CG1-CB 3.83Å; I31-A33 PolarHBondContact O-N 3.27Å
32G93.1Very high95.4Very high55 Ų5560.8 Ų60.857%0.56732%0.318SS*.THydrogen-bonded Turntrans78.25.6179.700000115.2V29 H30 Q34V29-G32 PolarHBondContact O-N 2.8Å; H30-G32 PolarHBondContact O-N 2.99Å; G32-Q34 PolarHBondContact O-N 3.25Å
33A95.1Very high95.5Very high26 Ų2666.4 Ų66.422%0.21534%0.342CS..  trans-77.745.7-17900000113L28 I31 K35 T36 A37L28-A33 HydrophobicContact CD2-CB 4.2Å; L28-A33 CarbonylContact O-C 3.49Å; L28-A33 WeakPolarHBondContact O-CA 3.42Å; L28-A33 WeakPolarHBondContact O-CB 3.49Å; L28-A33 PolarHBondContact O-N 2.93Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 HydrophobicContact CD1-CB 4.09Å; I31-A33 HydrophobicContact CG1-CB 3.83Å; I31-A33 PolarHBondContact O-N 3.27Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.47Å; A33-K35 VanDerWaalsContact O-N 3.13Å; A33-T36 WeakPolarHBondContact O-CA 3.49Å; A33-T36 WeakPolarHBondContact O-CB 3.42Å; A33-T36 PolarHBondContact O-N 2.91Å; A33-A37 PolarHBondContact O-N 2.88Å
34Q95Very high95.4Very high92 Ų9266.7 Ų66.743%0.4335%0.347SS..Hα-helixtrans-50.5-40.6-172.6-70.8-66.9-28.700114.3G32 A37 N38G32-Q34 PolarHBondContact O-N 3.25Å; Q34-A37 PolarHBondContact O-N 3.48Å; Q34-N38 PolarHBondContact O-N 2.73Å; Q34-N38 VanDerWaalsContact O-N 3.09Å; Q34-N38 PolarHBondContact O-ND2 3.14Å
35K96.3Very high95.3Very high192 Ų19275.2 Ų75.284%0.83538%0.375SS*.Hα-helixtrans-65.2-44.5177.5-65.9-176.2-179.9-179.90111.6A33 N38 S39A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.47Å; A33-K35 VanDerWaalsContact O-N 3.13Å; K35-N38 PolarHBondContact O-N 3.38Å; K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 3.29Å
36T97.4Very high95.3Very high81 Ų8176 Ų7650%0.49738%0.378SS..Hα-helixtrans-65.3-42.6176.5-43.80000111.2L28 A33 N38 S39 F40L28-T36 HydrophobicContact CD1-CG2 4.29Å; L28-T36 HydrophobicContact CD2-CG2 4.08Å; A33-T36 WeakPolarHBondContact O-CA 3.49Å; A33-T36 WeakPolarHBondContact O-CB 3.42Å; A33-T36 PolarHBondContact O-N 2.91Å; T36-N38 PolarHBondContact O-N 3.25Å; T36-S39 PolarHBondContact O-N 3.21Å; T36-F40 VanDerWaalsContact O-CB 3.3Å; T36-F40 WeakPolarHBondContact O-CB 3.46Å; T36-F40 PolarHBondContact O-N 2.91Å
37A96.1Very high95.1Very high0 Ų081.6 Ų81.60%041%0.408CS..Hα-helixtrans-57.5-47176.500000112.1Y25 L28 V29 A33 Q34 L41Y25-A37 HydrophobicContact CD2-CB 3.82Å; Y25-A37 WeakPolarHBondContact CD2-O 3.37Å; Y25-A37 HydrophobicContact CE2-CB 3.75Å; L28-A37 HydrophobicContact CB-CB 3.73Å; V29-A37 HydrophobicContact CG2-CB 3.92Å; A33-A37 PolarHBondContact O-N 2.88Å; Q34-A37 PolarHBondContact O-N 3.48Å; A37-L41 PolarHBondContact O-N 3.32Å
38N94.9Very high94.8Very high78 Ų7882 Ų8242%0.41741%0.412SS..Hα-helixtrans-67.3-42.1177.2-79.7-91.5000112.4Q34 K35 T36 F40 L41 Q42Q34-N38 PolarHBondContact O-N 2.73Å; Q34-N38 VanDerWaalsContact O-N 3.09Å; Q34-N38 PolarHBondContact O-ND2 3.14Å; K35-N38 PolarHBondContact O-N 3.38Å; T36-N38 PolarHBondContact O-N 3.25Å; N38-F40 VanDerWaalsContact C-N 3.34Å; N38-F40 PolarHBondContact O-N 2.97Å; N38-L41 PolarHBondContact O-N 3.42Å; N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 2.99Å
39S96.7Very high94.4Very high62 Ų6286.8 Ų86.843%0.43445%0.447SS..Hα-helixtrans-61.2-42.1176.7-165.90000112K35 T36 L41 Q42 E43K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 3.29Å; T36-S39 PolarHBondContact O-N 3.21Å; S39-L41 PolarHBondContact O-N 3.02Å; S39-Q42 PolarHBondContact O-N 3.42Å; S39-E43 WeakPolarHBondContact O-CB 3.44Å; S39-E43 PolarHBondContact O-N 3.42Å
40F97.1Very high94Very high47 Ų4787.3 Ų87.321%0.20645%0.449CS..Hα-helixtrans-60.4-44.1179172.5-110.6000112.4A21 V24 L28 T36 N38 Q42 E43 I44A21-F40 HydrophobicContact CB-CE1 4.33Å; A21-F40 HydrophobicContact CB-CZ 4.19Å; V24-F40 HydrophobicContact CB-CE1 4.12Å; V24-F40 HydrophobicContact CB-CZ 4.13Å; V24-F40 HydrophobicContact CG1-CD1 4.35Å; V24-F40 HydrophobicContact CG1-CE1 3.83Å; V24-F40 HydrophobicContact CG1-CE2 4.26Å; V24-F40 HydrophobicContact CG1-CZ 3.77Å; L28-F40 HydrophobicContact CD1-CB 4.2Å; L28-F40 HydrophobicContact CD1-CD1 4.39Å; L28-F40 HydrophobicContact CD1-CG 4.32Å; T36-F40 VanDerWaalsContact O-CB 3.3Å; T36-F40 WeakPolarHBondContact O-CB 3.46Å; T36-F40 PolarHBondContact O-N 2.91Å; N38-F40 VanDerWaalsContact C-N 3.34Å; N38-F40 PolarHBondContact O-N 2.97Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.3Å; F40-E43 PolarHBondContact O-N 3.4Å; F40-I44 HydrophobicContact CD1-CD1 4.37Å; F40-I44 HydrophobicContact CD2-CG2 4.23Å; F40-I44 HydrophobicContact CE1-CD1 3.88Å; F40-I44 HydrophobicContact CE2-CD1 4.37Å; F40-I44 HydrophobicContact CE2-CG2 3.93Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.42Å; F40-I44 WeakPolarHBondContact O-CG1 3.49Å; F40-I44 PolarHBondContact O-N 3.49Å; F40-I44 VanDerWaalsContact O-N 3.11Å
41L95Very high93.8Very high30 Ų3090.5 Ų90.516%0.15748%0.476CS..Hα-helixtrans-64.2-37.8175.6-65.3-169.3000112.6Y25 A37 N38 S39 I44 R45 W46 I50Y25-L41 HydrophobicContact CD2-CD1 3.57Å; Y25-L41 HydrophobicContact CD2-CD2 3.78Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.45Å; Y25-L41 HydrophobicContact CE2-CD1 3.4Å; Y25-L41 VanDerWaalsContact CE2-CD1 3.4Å; Y25-L41 HydrophobicContact CE2-CD2 4.48Å; Y25-L41 HydrophobicContact CE2-CG 3.8Å; Y25-L41 HydrophobicContact CG-CD1 4.17Å; Y25-L41 HydrophobicContact CG-CD2 3.98Å; Y25-L41 HydrophobicContact CG-CG 4.19Å; A37-L41 PolarHBondContact O-N 3.32Å; N38-L41 PolarHBondContact O-N 3.42Å; S39-L41 PolarHBondContact O-N 3.02Å; L41-I44 HydrophobicContact CD2-CD1 4.41Å; L41-R45 PolarHBondContact O-N 3.11Å; L41-W46 HydrophobicContact CB-CB 4.08Å; L41-W46 HydrophobicContact CD2-CB 3.93Å; L41-W46 HydrophobicContact CD2-CD2 4.4Å; L41-W46 HydrophobicContact CD2-CG 3.84Å; L41-W46 WeakPolarHBondContact O-CB 3.15Å; L41-W46 PolarHBondContact O-N 3.4Å; L41-I50 HydrophobicContact CD1-CD1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.78Å
42Q95.1Very high93.4Very high150 Ų15088.7 Ų88.770%0.70147%0.47SS*.Hα-helixtrans-67.5-42.9177-69.1176.71.100111.8N38 S39 F40 R45N38-Q42 WeakPolarHBondContact O-CG 3.42Å; N38-Q42 PolarHBondContact O-N 2.99Å; S39-Q42 PolarHBondContact O-N 3.42Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 3.3Å; Q42-R45 PolarHBondContact O-N 3.47Å; Q42-R45 VanDerWaalsContact O-N 3.14Å
43E96.6Very high93Very high156 Ų15688 Ų8873%0.72946%0.462SS*.Hα-helixtrans-64.6-46.3-178.9-173.7175.5175.700112.4S39 F40 R45S39-E43 WeakPolarHBondContact O-CB 3.44Å; S39-E43 PolarHBondContact O-N 3.42Å; F40-E43 PolarHBondContact O-N 3.4Å; E43-R45 PolarHBondContact O-N 3.14Å
44I94.4Very high92.6Very high74 Ų7494.7 Ų94.738%0.37949%0.489SS..THydrogen-bonded Turntrans-77.61.4175.676.6-172.1000113.2A21 F40 L41 W46A21-I44 HydrophobicContact CB-CD1 3.84Å; F40-I44 HydrophobicContact CD1-CD1 4.37Å; F40-I44 HydrophobicContact CD2-CG2 4.23Å; F40-I44 HydrophobicContact CE1-CD1 3.88Å; F40-I44 HydrophobicContact CE2-CD1 4.37Å; F40-I44 HydrophobicContact CE2-CG2 3.93Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.42Å; F40-I44 WeakPolarHBondContact O-CG1 3.49Å; F40-I44 PolarHBondContact O-N 3.49Å; F40-I44 VanDerWaalsContact O-N 3.11Å; L41-I44 HydrophobicContact CD2-CD1 4.41Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.18Å; I44-W46 HydrophobicContact CD1-CD2 4.37Å; I44-W46 HydrophobicContact CD1-CE3 3.75Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.32Å; I44-W46 PolarHBondContact O-N 3.26Å
45R93.8Very high92.1Very high220 Ų22094.5 Ų94.583%0.8350%0.496SS*.THydrogen-bonded Turntrans54.843.7-177.6-58.5178.360-168.5-3.4113.4L41 Q42 E43 D47L41-R45 PolarHBondContact O-N 3.11Å; Q42-R45 PolarHBondContact O-N 3.47Å; Q42-R45 VanDerWaalsContact O-N 3.14Å; E43-R45 PolarHBondContact O-N 3.14Å; R45-D47 PolarHBondContact O-N 3.21Å
46W95Very high91.3Very high49 Ų4988.7 Ų88.719%0.18648%0.478CS..  trans-68.1126.6-176.5-168.4-91.7000112.4E18 A21 V22 L41 I44 K48 I50E18-W46 HydrophobicContact CG-CH2 3.51Å; E18-W46 HydrophobicContact CG-CZ3 3.96Å; E18-W46 WeakPolarHBondContact O-CH2 3.45Å; A21-W46 HydrophobicContact CB-CE3 4.16Å; A21-W46 HydrophobicContact CB-CH2 4.32Å; A21-W46 HydrophobicContact CB-CZ3 3.67Å; V22-W46 HydrophobicContact CG2-CH2 3.6Å; V22-W46 HydrophobicContact CG2-CZ2 3.54Å; L41-W46 HydrophobicContact CB-CB 4.08Å; L41-W46 HydrophobicContact CD2-CB 3.93Å; L41-W46 HydrophobicContact CD2-CD2 4.4Å; L41-W46 HydrophobicContact CD2-CG 3.84Å; L41-W46 WeakPolarHBondContact O-CB 3.15Å; L41-W46 PolarHBondContact O-N 3.4Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.18Å; I44-W46 HydrophobicContact CD1-CD2 4.37Å; I44-W46 HydrophobicContact CD1-CE3 3.75Å; I44-W46 HydrophobicContact CG1-CB 3.85Å; I44-W46 HydrophobicContact CG1-CE3 4.32Å; I44-W46 PolarHBondContact O-N 3.26Å; W46-K48 HydrophobicContact CZ2-CB 4.15Å; W46-K48 HydrophobicContact CZ2-CD 4.3Å; W46-K48 PolarHBondContact NE1-O 2.87Å; W46-I50 HydrophobicContact CD2-CD1 4.47Å; W46-I50 HydrophobicContact CZ2-CD1 4.06Å; W46-I50 HydrophobicContact CZ2-CG1 4.1Å
47D91.6Very high90.8Very high136 Ų13685.1 Ų85.173%0.72746%0.457SS*.  trans-107.5-15-172.665.8-42.4000114.2R45R45-D47 PolarHBondContact O-N 3.21Å
48K90Very high90.6Very high89 Ų8989.8 Ų89.839%0.38748%0.478SS..SBendtrans-94.2147.3-172.1-66.3153.6-172.9177.10112E18 W46E18-K48 IonicContact OE1-NZ 2.74Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.85Å; E18-K48 PolarHBondContact OE2-NZ 2.77Å; W46-K48 HydrophobicContact CZ2-CB 4.15Å; W46-K48 HydrophobicContact CZ2-CD 4.3Å; W46-K48 PolarHBondContact NE1-O 2.87Å
49S86.2Confident90.6Very high125 Ų12588 Ų8887%0.87447%0.468SS*.  trans-68.213616945.80000111
50I86.8Confident90.4Very high34 Ų3488.2 Ų88.217%0.17446%0.462CS..  trans-112.1120.5172.8-64.6164.6000109.1V22 Y25 L41 W46V22-I50 HydrophobicContact CG1-CG2 3.91Å; V22-I50 HydrophobicContact CG2-CD1 4.38Å; V22-I50 HydrophobicContact CG2-CG1 4.22Å; Y25-I50 HydrophobicContact CD1-CB 4.03Å; Y25-I50 HydrophobicContact CD1-CD1 3.7Å; Y25-I50 HydrophobicContact CD1-CG1 4.48Å; Y25-I50 HydrophobicContact CD1-CG2 3.66Å; Y25-I50 HydrophobicContact CE1-CB 4.08Å; Y25-I50 HydrophobicContact CE1-CD1 4.34Å; Y25-I50 HydrophobicContact CE1-CG2 3.97Å; Y25-I50 HydrophobicContact CG-CD1 3.95Å; L41-I50 HydrophobicContact CD1-CD1 4.27Å; L41-I50 HydrophobicContact CD2-CD1 3.78Å; W46-I50 HydrophobicContact CD2-CD1 4.47Å; W46-I50 HydrophobicContact CZ2-CD1 4.06Å; W46-I50 HydrophobicContact CZ2-CG1 4.1Å
51S88.3Confident90.2Very high114 Ų11488.6 Ų88.680%0.79747%0.47SS*.  trans-81.3112.4163.854.30000109.4
52V87.1Confident90.2Very high53 Ų5393.8 Ų93.832%0.32149%0.488SS..  trans-73.6136169.9178.80000108.6Y25 E26 V29Y25-V52 HydrophobicContact CD1-CG2 4.25Å; Y25-V52 HydrophobicContact CE1-CG2 3.68Å; E26-V52 HydrophobicContact CG-CG1 4.21Å; V29-V52 HydrophobicContact CB-CG1 4.38Å; V29-V52 HydrophobicContact CB-CG2 4.35Å; V29-V52 HydrophobicContact CG1-CB 4.48Å; V29-V52 HydrophobicContact CG1-CG1 3.74Å; V29-V52 HydrophobicContact CG1-CG2 4.11Å; V29-V52 HydrophobicContact CG2-CG2 4.3Å
53G83.8Confident90.3Very high40 Ų4091.5 Ų91.541%0.41247%0.473SS..  trans-81.4-167.6178.200000113.5
54E86.5Confident90.1Very high167 Ų16786.6 Ų86.678%0.7846%0.456SS*.SBendtrans-74.8143.4166.5-69-64.1146.700110.4H30 G57H30-E54 PolarHBondContact NE2-O 3.48Å; E54-G57 PolarHBondContact O-N 2.56Å; E54-G57 VanDerWaalsContact O-N 3.09Å
55P86Confident90Very high87 Ų8787.4 Ų87.457%0.56546%0.464SS*.THydrogen-bonded Turntrans-63.8147.6172.628.2-34.6000110.8
56P78.3Confident90Very high70 Ų7080.6 Ų80.646%0.45544%0.441SS..THydrogen-bonded Turncis-84.11.110.534.2-36.9000115H30 H60H30-P56 PolarHBondContact CE1-O 2.95Å; H30-P56 PolarHBondContact ND1-O 3.44Å; P56-H60 HydrophobicContact CB-CB 4.24Å; P56-H60 WeakPolarHBondContact O-CB 3.41Å
57G88.2Confident89.9Confident7 Ų782.7 Ų82.77%0.07245%0.448CS..Hα-helixtrans76.9170.8-179.400000115E26 H30 E54 S61E26-G57 WeakPolarHBondContact OE1-CA 3.26Å; H30-G57 WeakPolarHBondContact CE1-CA 3.5Å; H30-G57 PolarHBondContact CE1-N 3.38Å; H30-G57 WeakPolarHBondContact ND1-CA 3.31Å; H30-G57 PolarHBondContact ND1-N 2.78Å; H30-G57 WeakPolarHBondContact NE2-CA 3.19Å; H30-G57 PolarHBondContact NE2-N 3.39Å; E54-G57 PolarHBondContact O-N 2.56Å; E54-G57 VanDerWaalsContact O-N 3.09Å; G57-S61 WeakPolarHBondContact O-CB 3.29Å; G57-S61 PolarHBondContact O-N 3.07Å; G57-S61 PolarHBondContact O-OG 2.77Å
58F91.9Very high89.9Confident98 Ų9878 Ų7843%0.4342%0.424SS..Hα-helixtrans-65.2-48.7-170.6-178.2-95.6000113.1Y23 E26 H60 S61 W62Y23-F58 HydrophobicContact CD1-CB 3.8Å; Y23-F58 AromaticContact CD1-CD1 3.72Å; Y23-F58 HydrophobicContact CD1-CD1 3.72Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.68Å; Y23-F58 HydrophobicContact CD2-CD1 3.68Å; Y23-F58 HydrophobicContact CD2-CE1 4.01Å; Y23-F58 HydrophobicContact CE1-CB 3.76Å; Y23-F58 AromaticContact CE1-CD1 3.58Å; Y23-F58 HydrophobicContact CE1-CD1 3.58Å; Y23-F58 HydrophobicContact CE1-CE1 4.37Å; Y23-F58 AromaticContact CE1-CG 3.72Å; Y23-F58 HydrophobicContact CE1-CG 3.72Å; Y23-F58 AromaticContact CE2-CD1 3.54Å; Y23-F58 HydrophobicContact CE2-CD1 3.54Å; Y23-F58 AromaticContact CE2-CE1 3.61Å; Y23-F58 HydrophobicContact CE2-CE1 3.61Å; Y23-F58 HydrophobicContact CE2-CG 4.43Å; Y23-F58 AromaticContact CG-CD1 3.78Å; Y23-F58 HydrophobicContact CG-CD1 3.78Å; Y23-F58 AromaticContact CZ-CD1 3.48Å; Y23-F58 VanDerWaalsContact CZ-CD1 3.48Å; Y23-F58 AromaticContact CZ-CE1 3.81Å; Y23-F58 AromaticContact CZ-CG 3.93Å; E26-F58 PolarHBondContact OE1-N 2.98Å; E26-F58 VanDerWaalsContact OE1-N 3.14Å; F58-H60 PolarHBondContact O-N 3.46Å; F58-S61 PolarHBondContact O-N 2.84Å; F58-W62 HydrophobicContact CE1-CB 4.37Å; F58-W62 HydrophobicContact CZ-CB 4.38Å; F58-W62 WeakPolarHBondContact O-CB 3.12Å; F58-W62 PolarHBondContact O-N 2.95Å
59L94.7Very high89.9Confident40 Ų4076.5 Ų76.521%0.20942%0.419CS..Hα-helixtrans-61.9-45.2-173.3-167.260.2000112.2L20 V24 Y27 W63L20-L59 HydrophobicContact CD1-CD1 4.5Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å; Y27-L59 HydrophobicContact CD1-CD2 4.42Å; Y27-L59 HydrophobicContact CG-CD2 4.24Å; L59-W63 WeakPolarHBondContact O-CB 3.16Å; L59-W63 PolarHBondContact O-N 3.23Å
60H92.9Very high90.1Very high66 Ų6674.9 Ų74.931%0.30640%0.395SS..Hα-helixtrans-65.6-48.9179.6-170.988.6000110.7Y27 P56 F58 W62 W63 S64Y27-H60 HydrophobicContact CD2-CB 4.21Å; Y27-H60 HydrophobicContact CE2-CB 4.39Å; Y27-H60 AromaticContact CE2-ND1 3.86Å; P56-H60 HydrophobicContact CB-CB 4.24Å; P56-H60 WeakPolarHBondContact O-CB 3.41Å; F58-H60 PolarHBondContact O-N 3.46Å; H60-W62 VanDerWaalsContact C-N 3.34Å; H60-W62 PolarHBondContact O-N 3.37Å; H60-W63 PolarHBondContact O-N 3.39Å; H60-S64 WeakPolarHBondContact O-CB 3.43Å; H60-S64 PolarHBondContact O-N 2.89Å; H60-S64 PolarHBondContact O-OG 2.87Å; H60-S64 VanDerWaalsContact O-OG 3.07Å
61S92.7Very high90.2Very high55 Ų5573.3 Ų73.339%0.38539%0.387SS..Hα-helixtrans-55.9-47.1179.2-54.80000112.4G57 F58 V65G57-S61 WeakPolarHBondContact O-CB 3.29Å; G57-S61 PolarHBondContact O-N 3.07Å; G57-S61 PolarHBondContact O-OG 2.77Å; F58-S61 PolarHBondContact O-N 2.84Å; S61-V65 PolarHBondContact O-N 3.31Å
62W95.2Very high90.1Very high139 Ų13967.9 Ų67.953%0.52735%0.349SS..Hα-helixtrans-71.8-39.3179.4-173.283.1000112.2F58 H60 V65 F66F58-W62 HydrophobicContact CE1-CB 4.37Å; F58-W62 HydrophobicContact CZ-CB 4.38Å; F58-W62 WeakPolarHBondContact O-CB 3.12Å; F58-W62 PolarHBondContact O-N 2.95Å; H60-W62 VanDerWaalsContact C-N 3.34Å; H60-W62 PolarHBondContact O-N 3.37Å; W62-V65 PolarHBondContact O-N 3.24Å; W62-F66 HydrophobicContact CE3-CB 4.4Å; W62-F66 HydrophobicContact CH2-CB 4.3Å; W62-F66 HydrophobicContact CH2-CD2 4.22Å; W62-F66 HydrophobicContact CH2-CG 4.29Å; W62-F66 HydrophobicContact CZ3-CB 4.21Å; W62-F66 HydrophobicContact CZ3-CG 4.37Å; W62-F66 WeakPolarHBondContact O-CB 3.44Å; W62-F66 PolarHBondContact O-N 3.39Å
63W95.8Very high89.9Confident103 Ų10366.3 Ų66.339%0.3934%0.342SS..Hα-helixtrans-64.9-38.4176.7-177.6-102.6000112.5L59 H60 F66 W67L59-W63 WeakPolarHBondContact O-CB 3.16Å; L59-W63 PolarHBondContact O-N 3.23Å; H60-W63 PolarHBondContact O-N 3.39Å; W63-F66 HydrophobicContact CD2-CD1 4.47Å; W63-F66 AromaticContact CE3-CD1 3.76Å; W63-F66 HydrophobicContact CE3-CD1 3.76Å; W63-F66 HydrophobicContact CE3-CE1 4.38Å; W63-F66 HydrophobicContact CH2-CD1 4.03Å; W63-F66 AromaticContact CH2-CE1 3.93Å; W63-F66 HydrophobicContact CH2-CE1 3.93Å; W63-F66 AromaticContact CZ3-CD1 3.51Å; W63-F66 HydrophobicContact CZ3-CD1 3.51Å; W63-F66 AromaticContact CZ3-CE1 3.67Å; W63-F66 HydrophobicContact CZ3-CE1 3.67Å; W63-F66 PolarHBondContact O-N 3.35Å; W63-W67 AromaticContact CZ2-CE3 3.94Å; W63-W67 HydrophobicContact CZ2-CE3 3.94Å; W63-W67 HydrophobicContact CZ2-CZ3 4.5Å; W63-W67 WeakPolarHBondContact O-CB 3.4Å; W63-W67 PolarHBondContact O-N 3.35Å
64S93Very high89.5Confident53 Ų5368.6 Ų68.637%0.37135%0.349SS..Hα-helixtrans-60.3-45.4174.7-64.10000111.9H60 W67 D68H60-S64 WeakPolarHBondContact O-CB 3.43Å; H60-S64 PolarHBondContact O-N 2.89Å; H60-S64 PolarHBondContact O-OG 2.87Å; H60-S64 VanDerWaalsContact O-OG 3.07Å; S64-W67 PolarHBondContact O-N 2.88Å; S64-D68 VanDerWaalsContact O-CB 3.31Å; S64-D68 WeakPolarHBondContact O-CB 3.5Å; S64-D68 PolarHBondContact O-N 3.48Å
65V92.9Very high89Confident90 Ų9066.4 Ų66.455%0.54534%0.339SS..Hα-helixtrans-68.3-42177.2175.80000111.5S61 W62 L69S61-V65 PolarHBondContact O-N 3.31Å; W62-V65 PolarHBondContact O-N 3.24Å; V65-L69 HydrophobicContact CG1-CD1 3.93Å; V65-L69 WeakPolarHBondContact O-CB 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.19Å
66F93.6Very high88.5Confident78 Ų7865.6 Ų65.634%0.34232%0.324SS..Hα-helixtrans-61.2-45.2174.5171.4-96.5000111.6W62 W63 L69 Y70W62-F66 HydrophobicContact CE3-CB 4.4Å; W62-F66 HydrophobicContact CH2-CB 4.3Å; W62-F66 HydrophobicContact CH2-CD2 4.22Å; W62-F66 HydrophobicContact CH2-CG 4.29Å; W62-F66 HydrophobicContact CZ3-CB 4.21Å; W62-F66 HydrophobicContact CZ3-CG 4.37Å; W62-F66 WeakPolarHBondContact O-CB 3.44Å; W62-F66 PolarHBondContact O-N 3.39Å; W63-F66 HydrophobicContact CD2-CD1 4.47Å; W63-F66 AromaticContact CE3-CD1 3.76Å; W63-F66 HydrophobicContact CE3-CD1 3.76Å; W63-F66 HydrophobicContact CE3-CE1 4.38Å; W63-F66 HydrophobicContact CH2-CD1 4.03Å; W63-F66 AromaticContact CH2-CE1 3.93Å; W63-F66 HydrophobicContact CH2-CE1 3.93Å; W63-F66 AromaticContact CZ3-CD1 3.51Å; W63-F66 HydrophobicContact CZ3-CD1 3.51Å; W63-F66 AromaticContact CZ3-CE1 3.67Å; W63-F66 HydrophobicContact CZ3-CE1 3.67Å; W63-F66 PolarHBondContact O-N 3.35Å; F66-L69 PolarHBondContact O-N 3.28Å; F66-Y70 HydrophobicContact CZ-CD2 4.49Å; F66-Y70 WeakPolarHBondContact O-CB 3.3Å; F66-Y70 PolarHBondContact O-N 3.24Å
67W91.9Very high88.2Confident92 Ų9265 Ų6535%0.34831%0.313SS..Hα-helixtrans-64.4-47.7-179.8-175.2-101.9000111W63 S64 L69 Y70 S71W63-W67 AromaticContact CZ2-CE3 3.94Å; W63-W67 HydrophobicContact CZ2-CE3 3.94Å; W63-W67 HydrophobicContact CZ2-CZ3 4.5Å; W63-W67 WeakPolarHBondContact O-CB 3.4Å; W63-W67 PolarHBondContact O-N 3.35Å; S64-W67 PolarHBondContact O-N 2.88Å; W67-L69 VanDerWaalsContact C-N 3.34Å; W67-L69 PolarHBondContact O-N 2.99Å; W67-Y70 AromaticContact CE3-CD1 3.99Å; W67-Y70 HydrophobicContact CE3-CD1 3.99Å; W67-Y70 HydrophobicContact CH2-CD1 4.37Å; W67-Y70 HydrophobicContact CH2-CE1 4.29Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.87Å; W67-Y70 HydrophobicContact CZ3-CE1 3.87Å; W67-Y70 PolarHBondContact O-N 3.43Å; W67-S71 PolarHBondContact NE1-OG 2.74Å; W67-S71 WeakPolarHBondContact O-CB 3.38Å; W67-S71 PolarHBondContact O-N 2.97Å; W67-S71 PolarHBondContact O-OG 2.85Å
68D91.3Very high87.3Confident39 Ų3972.1 Ų72.121%0.20935%0.349CS..Hα-helixtrans-60.6-39.7177.3-171.735.5000112.5S64 A72 H82 S83 A86S64-D68 VanDerWaalsContact O-CB 3.31Å; S64-D68 WeakPolarHBondContact O-CB 3.5Å; S64-D68 PolarHBondContact O-N 3.48Å; D68-A72 WeakPolarHBondContact O-CB 3.5Å; D68-A72 PolarHBondContact O-N 2.96Å; D68-H82 WeakPolarHBondContact OD1-CA 3.47Å; D68-S83 PolarHBondContact OD1-N 3.44Å; D68-S83 WeakPolarHBondContact OD2-CB 3.24Å; D68-S83 PolarHBondContact OD2-OG 3.19Å; D68-A86 HydrophobicContact CB-CB 4.3Å; D68-A86 VanDerWaalsContact CG-CB 3.48Å; D68-A86 WeakPolarHBondContact O-CB 3.33Å; D68-A86 VanDerWaalsContact OD2-CB 3.26Å; D68-A86 WeakPolarHBondContact OD2-CB 3.37Å
69L91.6Very high86.4Confident56 Ų5672 Ų7229%0.29336%0.357SS..Hα-helixtrans-70-40.1172.8-72.6169.5000113.2V65 F66 W67 A72 A73 A86 F89 H90V65-L69 HydrophobicContact CG1-CD1 3.93Å; V65-L69 WeakPolarHBondContact O-CB 3.27Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.19Å; F66-L69 PolarHBondContact O-N 3.28Å; W67-L69 VanDerWaalsContact C-N 3.34Å; W67-L69 PolarHBondContact O-N 2.99Å; L69-A72 PolarHBondContact O-N 3.07Å; L69-A73 PolarHBondContact O-N 3.24Å; L69-A86 HydrophobicContact CD2-CB 3.94Å; L69-A86 HydrophobicContact CG-CB 4.39Å; L69-F89 HydrophobicContact CD2-CB 3.78Å; L69-F89 HydrophobicContact CD2-CD2 4.47Å; L69-F89 HydrophobicContact CD2-CG 4.32Å; L69-H90 PolarHBondContact O-NE2 2.82Å
70Y89.5Confident85.5Confident92 Ų9274.1 Ų74.136%0.36137%0.366SS..Hα-helixtrans-65.6-42.4177.3172.9-108.5000111.3F66 W67 A73 R76F66-Y70 HydrophobicContact CZ-CD2 4.49Å; F66-Y70 WeakPolarHBondContact O-CB 3.3Å; F66-Y70 PolarHBondContact O-N 3.24Å; W67-Y70 AromaticContact CE3-CD1 3.99Å; W67-Y70 HydrophobicContact CE3-CD1 3.99Å; W67-Y70 HydrophobicContact CH2-CD1 4.37Å; W67-Y70 HydrophobicContact CH2-CE1 4.29Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.87Å; W67-Y70 HydrophobicContact CZ3-CE1 3.87Å; W67-Y70 PolarHBondContact O-N 3.43Å; Y70-A73 VanDerWaalsContact O-CB 3.32Å; Y70-A73 WeakPolarHBondContact O-CB 3.39Å; Y70-A73 PolarHBondContact O-N 3.48Å; Y70-R76 WeakPolarHBondContact O-CD 3.22Å; Y70-R76 PolarHBondContact OH-NH1 3.38Å
71S88.9Confident84.7Confident0 Ų080 Ų800%039%0.393CS..Hα-helixtrans-58.2-53.8169.8-640000110.3W67 A73 R76 H82W67-S71 PolarHBondContact NE1-OG 2.74Å; W67-S71 WeakPolarHBondContact O-CB 3.38Å; W67-S71 PolarHBondContact O-N 2.97Å; W67-S71 PolarHBondContact O-OG 2.85Å; S71-A73 PolarHBondContact O-N 2.94Å; S71-R76 WeakPolarHBondContact O-CB 3.19Å; S71-H82 VanDerWaalsContact C-NE2 3.31Å; S71-H82 WeakPolarHBondContact CB-CE1 3.39Å; S71-H82 VanDerWaalsContact CB-ND1 3.27Å; S71-H82 WeakPolarHBondContact CB-ND1 3.32Å; S71-H82 PolarHBondContact O-CE1 3.39Å; S71-H82 PolarHBondContact O-NE2 3.01Å
72A85.4Confident84.3Confident0 Ų080.1 Ų80.10%039%0.388CS..THydrogen-bonded Turntrans-69.65.9-178.600000116.3D68 L69 R77 H82 A86 H90D68-A72 WeakPolarHBondContact O-CB 3.5Å; D68-A72 PolarHBondContact O-N 2.96Å; L69-A72 PolarHBondContact O-N 3.07Å; A72-R77 PolarHBondContact O-NE 3.49Å; A72-R77 PolarHBondContact O-NH2 3.06Å; A72-H82 VanDerWaalsContact CA-CD2 3.47Å; A72-H82 WeakPolarHBondContact CA-CD2 3.35Å; A72-H82 WeakPolarHBondContact CA-NE2 3.36Å; A72-H82 HydrophobicContact CB-CB 4.38Å; A72-A86 HydrophobicContact CB-CB 3.67Å; A72-H90 VanDerWaalsContact C-CD2 3.48Å; A72-H90 PolarHBondContact O-CD2 3.03Å
73A84Confident83.7Confident21 Ų2175.5 Ų75.517%0.17438%0.376CS..SBendtrans-64.5136.5169.200000110.5L69 Y70 S71 E75 R76 R77L69-A73 PolarHBondContact O-N 3.24Å; Y70-A73 VanDerWaalsContact O-CB 3.32Å; Y70-A73 WeakPolarHBondContact O-CB 3.39Å; Y70-A73 PolarHBondContact O-N 3.48Å; S71-A73 PolarHBondContact O-N 2.94Å; A73-E75 PolarHBondContact O-N 2.92Å; A73-R76 PolarHBondContact O-N 3.26Å; A73-R77 WeakPolarHBondContact O-CG 3.41Å
74P75.3Confident83Confident88 Ų8875.7 Ų75.757%0.57139%0.394SS*.THydrogen-bonded Turntrans-53-24.1-172.3-30.936.2000117.3R76P74-R76 VanDerWaalsContact C-N 3.3Å; P74-R76 PolarHBondContact O-N 3.13Å
75E75.7Confident82.7Confident121 Ų12179.5 Ų79.557%0.56541%0.406SS*.THydrogen-bonded Turntrans-69.3-20.8176.2-174.7-172.6-130.900113.9A73A73-E75 PolarHBondContact O-N 2.92Å
76R76Confident82.3Confident69 Ų6975.4 Ų75.426%0.2638%0.381SS..SBendtrans-123.62-161.2-71.1159.9-167.6-83.9-12.8114.6Y70 S71 A73 P74 D78 T79Y70-R76 WeakPolarHBondContact O-CD 3.22Å; Y70-R76 PolarHBondContact OH-NH1 3.38Å; S71-R76 WeakPolarHBondContact O-CB 3.19Å; A73-R76 PolarHBondContact O-N 3.26Å; P74-R76 VanDerWaalsContact C-N 3.3Å; P74-R76 PolarHBondContact O-N 3.13Å; R76-D78 VanDerWaalsContact C-N 3.29Å; R76-D78 PolarHBondContact O-N 3.24Å; R76-T79 PolarHBondContact O-N 3.38Å; R76-T79 PolarHBondContact O-OG1 3.45Å
77R72.1Confident81.8Confident59 Ų5976.2 Ų76.222%0.22338%0.384CS..THydrogen-bonded Turntrans-70-23.5-169.6-63.5-178.4176.4179.1-8.1115.2A72 A73 H82 D91A72-R77 PolarHBondContact O-NE 3.49Å; A72-R77 PolarHBondContact O-NH2 3.06Å; A73-R77 WeakPolarHBondContact O-CG 3.41Å; R77-H82 VanDerWaalsContact CA-NE2 3.33Å; R77-H82 WeakPolarHBondContact CA-NE2 3.2Å; R77-D91 IonicContact CZ-OD1 3.18Å; R77-D91 IonicContact NH1-OD1 2.7Å; R77-D91 PolarHBondContact NH1-OD1 3.05Å; R77-D91 IonicContact NH1-OD2 3.73Å; R77-D91 IonicContact NH2-OD1 2.77Å; R77-D91 PolarHBondContact NH2-OD1 2.87Å
78D68.9Low81.4Confident155 Ų15573.5 Ų73.583%0.82938%0.381SS*.THydrogen-bonded Turntrans-89.6-3.7-178.2-52.5-75.5000112.8R76R76-D78 VanDerWaalsContact C-N 3.29Å; R76-D78 PolarHBondContact O-N 3.24Å
79T73.6Confident80.9Confident97 Ų9777.1 Ų77.160%0.59540%0.396SS*.THydrogen-bonded Turntrans-120.4-9.3-173.163.70000115.5R76R76-T79 PolarHBondContact O-N 3.38Å; R76-T79 PolarHBondContact O-OG1 3.45Å
80H74.7Confident80.4Confident83 Ų8376.7 Ų76.738%0.38439%0.392SS..SBendtrans-144154.9-172.9-61.9-43000111.4H82H80-H82 PolarHBondContact O-CE1 3.33Å; H80-H82 PolarHBondContact O-ND1 3.32Å
81E77.1Confident79.8Confident189 Ų18974.8 Ų74.888%0.88339%0.388SS*.  trans-87.5145.3178.7-62.4-174.9117.700111.9
82H83.6Confident79.1Confident58 Ų5882.2 Ų82.227%0.26942%0.417SS..  trans-145.2158.4-169.2-47.8-18.6000113D68 S71 A72 R77 H80D68-H82 WeakPolarHBondContact OD1-CA 3.47Å; S71-H82 VanDerWaalsContact C-NE2 3.31Å; S71-H82 WeakPolarHBondContact CB-CE1 3.39Å; S71-H82 VanDerWaalsContact CB-ND1 3.27Å; S71-H82 WeakPolarHBondContact CB-ND1 3.32Å; S71-H82 PolarHBondContact O-CE1 3.39Å; S71-H82 PolarHBondContact O-NE2 3.01Å; A72-H82 VanDerWaalsContact CA-CD2 3.47Å; A72-H82 WeakPolarHBondContact CA-CD2 3.35Å; A72-H82 WeakPolarHBondContact CA-NE2 3.36Å; A72-H82 HydrophobicContact CB-CB 4.38Å; R77-H82 VanDerWaalsContact CA-NE2 3.33Å; R77-H82 WeakPolarHBondContact CA-NE2 3.2Å; H80-H82 PolarHBondContact O-CE1 3.33Å; H80-H82 PolarHBondContact O-ND1 3.32Å
83S82.4Confident78.1Confident42 Ų4284.2 Ų84.229%0.29444%0.437SS..  trans-76.5151.4162.283.70000112.8D68 E85 A86 K87D68-S83 PolarHBondContact OD1-N 3.44Å; D68-S83 WeakPolarHBondContact OD2-CB 3.24Å; D68-S83 PolarHBondContact OD2-OG 3.19Å; S83-E85 PolarHBondContact O-N 2.87Å; S83-E85 PolarHBondContact OG-N 3.43Å; S83-A86 WeakPolarHBondContact OG-CB 3.33Å; S83-A86 PolarHBondContact OG-N 2.8Å; S83-K87 PolarHBondContact O-N 3.05Å
84S81.8Confident76.7Confident107 Ų10790.6 Ų90.675%0.74846%0.462SS*.Hα-helixtrans-65.3-24.6170.650.30000112.7A88S84-A88 WeakPolarHBondContact O-CB 3.48Å; S84-A88 PolarHBondContact O-N 3.32Å
85E86.1Confident75.4Confident134 Ų13491.8 Ų91.863%0.62647%0.467SS*.Hα-helixtrans-73.1-47.2177.1-173.2169.2124.900111.3S83 K87 A88 F89S83-E85 PolarHBondContact O-N 2.87Å; S83-E85 PolarHBondContact OG-N 3.43Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 2.81Å; E85-A88 CarbonylContact O-C 3.57Å; E85-A88 WeakPolarHBondContact O-CA 3.5Å; E85-A88 WeakPolarHBondContact O-CB 3.47Å; E85-A88 PolarHBondContact O-N 3.15Å; E85-F89 HydrophobicContact CG-CD2 3.93Å; E85-F89 HydrophobicContact CG-CE2 3.74Å; E85-F89 WeakPolarHBondContact O-CD2 3.47Å; E85-F89 PolarHBondContact O-N 2.7Å
86A84.9Confident74.1Confident3 Ų393.2 Ų93.23%0.02548%0.479CS..Hα-helixtrans-61.8-38175.100000112.2D68 L69 A72 S83 F89 H90D68-A86 HydrophobicContact CB-CB 4.3Å; D68-A86 VanDerWaalsContact CG-CB 3.48Å; D68-A86 WeakPolarHBondContact O-CB 3.33Å; D68-A86 VanDerWaalsContact OD2-CB 3.26Å; D68-A86 WeakPolarHBondContact OD2-CB 3.37Å; L69-A86 HydrophobicContact CD2-CB 3.94Å; L69-A86 HydrophobicContact CG-CB 4.39Å; A72-A86 HydrophobicContact CB-CB 3.67Å; S83-A86 WeakPolarHBondContact OG-CB 3.33Å; S83-A86 PolarHBondContact OG-N 2.8Å; A86-F89 PolarHBondContact O-N 2.91Å; A86-H90 PolarHBondContact O-CD2 3.4Å; A86-H90 PolarHBondContact O-N 2.87Å
87K83Confident72.6Confident95 Ų9593.3 Ų93.341%0.41349%0.49SS..Hα-helixtrans-60.1-45.3170.5-173.6178.1-176.5-63.90111.7S83 E85 F89 H90 D91S83-K87 PolarHBondContact O-N 3.05Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 2.81Å; K87-F89 VanDerWaalsContact C-N 3.35Å; K87-F89 PolarHBondContact O-N 3.29Å; K87-H90 PolarHBondContact O-N 3.44Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.3Å; K87-D91 WeakPolarHBondContact O-CB 3.5Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.26Å
88A83.5Confident71Confident35 Ų3594.2 Ų94.229%0.28952%0.517SS..Hα-helixtrans-64.3-34.7177.100000113.1S84 E85 H90 D91 Y92S84-A88 WeakPolarHBondContact O-CB 3.48Å; S84-A88 PolarHBondContact O-N 3.32Å; E85-A88 CarbonylContact O-C 3.57Å; E85-A88 WeakPolarHBondContact O-CA 3.5Å; E85-A88 WeakPolarHBondContact O-CB 3.47Å; E85-A88 PolarHBondContact O-N 3.15Å; A88-H90 VanDerWaalsContact C-N 3.34Å; A88-H90 PolarHBondContact O-N 2.65Å; A88-D91 PolarHBondContact O-N 3.37Å; A88-Y92 HydrophobicContact CB-CD2 3.97Å; A88-Y92 HydrophobicContact CB-CE2 4.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.32Å; A88-Y92 WeakPolarHBondContact O-CD2 3.39Å; A88-Y92 PolarHBondContact O-N 2.98Å
89F81.5Confident69.6Low116 Ų11696.7 Ų96.751%0.50952%0.516SS..Hα-helixtrans-63.4-36.3175-91.1-70.9000113.2L69 E85 A86 K87 G93L69-F89 HydrophobicContact CD2-CB 3.78Å; L69-F89 HydrophobicContact CD2-CD2 4.47Å; L69-F89 HydrophobicContact CD2-CG 4.32Å; E85-F89 HydrophobicContact CG-CD2 3.93Å; E85-F89 HydrophobicContact CG-CE2 3.74Å; E85-F89 WeakPolarHBondContact O-CD2 3.47Å; E85-F89 PolarHBondContact O-N 2.7Å; A86-F89 PolarHBondContact O-N 2.91Å; K87-F89 VanDerWaalsContact C-N 3.35Å; K87-F89 PolarHBondContact O-N 3.29Å; F89-G93 WeakPolarHBondContact O-CA 3.38Å; F89-G93 PolarHBondContact O-N 2.77Å
90H81.5Confident68.1Low47 Ų4797.8 Ų97.822%0.21853%0.525CS..Hα-helixtrans-77.3-43.5172.4-78.8-82.6000112.6L69 A72 A86 K87 A88 Y92L69-H90 PolarHBondContact O-NE2 2.82Å; A72-H90 VanDerWaalsContact C-CD2 3.48Å; A72-H90 PolarHBondContact O-CD2 3.03Å; A86-H90 PolarHBondContact O-CD2 3.4Å; A86-H90 PolarHBondContact O-N 2.87Å; K87-H90 PolarHBondContact O-N 3.44Å; A88-H90 VanDerWaalsContact C-N 3.34Å; A88-H90 PolarHBondContact O-N 2.65Å; H90-Y92 PolarHBondContact O-N 2.78Å
91D76.7Confident66.8Low52 Ų52101.6 Ų101.628%0.27855%0.548SS..Hα-helixtrans-71-29.5-174.9-70-1.3000113.3R77 K87 A88 V95R77-D91 IonicContact CZ-OD1 3.18Å; R77-D91 IonicContact NH1-OD1 2.7Å; R77-D91 PolarHBondContact NH1-OD1 3.05Å; R77-D91 IonicContact NH1-OD2 3.73Å; R77-D91 IonicContact NH2-OD1 2.77Å; R77-D91 PolarHBondContact NH2-OD1 2.87Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.3Å; K87-D91 WeakPolarHBondContact O-CB 3.5Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.26Å; A88-D91 PolarHBondContact O-N 3.37Å; D91-V95 VanDerWaalsContact O-CG2 3.25Å; D91-V95 WeakPolarHBondContact O-CG2 3.47Å
92Y73.7Confident64.9Low156 Ų15696.2 Ų96.261%0.61254%0.544SS*.Hα-helixtrans-118.3-30.6-178.7-56.6-60.7000114A88 H90 F94 V95 N96A88-Y92 HydrophobicContact CB-CD2 3.97Å; A88-Y92 HydrophobicContact CB-CE2 4.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.32Å; A88-Y92 WeakPolarHBondContact O-CD2 3.39Å; A88-Y92 PolarHBondContact O-N 2.98Å; H90-Y92 PolarHBondContact O-N 2.78Å; Y92-F94 PolarHBondContact O-N 3.44Å; Y92-V95 WeakPolarHBondContact O-CG2 3.39Å; Y92-N96 PolarHBondContact O-N 2.98Å
93G64.7Low63.3Low41 Ų41101.4 Ų101.442%0.42357%0.573SS.*Hα-helixtrans-72.8-26.1-169.400000115.3F89F89-G93 WeakPolarHBondContact O-CA 3.38Å; F89-G93 PolarHBondContact O-N 2.77Å
94F54.7Low61.6Low156 Ų156104.9 Ų104.968%0.68459%0.594SS**THydrogen-bonded Turntrans-92.4-35.2172.2-77.1-80.4000113.2Y92 N96 S97Y92-F94 PolarHBondContact O-N 3.44Å; F94-N96 VanDerWaalsContact C-N 3.27Å; F94-N96 PolarHBondContact O-N 2.94Å; F94-S97 PolarHBondContact O-N 3.47Å; F94-S97 VanDerWaalsContact O-N 3.09Å
95V48.4Very low59.9Low113 Ų113107 Ų10769%0.68559%0.592SS**THydrogen-bonded Turntrans-71.6-16.8-177-62.10000114.2D91 Y92D91-V95 VanDerWaalsContact O-CG2 3.25Å; D91-V95 WeakPolarHBondContact O-CG2 3.47Å; Y92-V95 WeakPolarHBondContact O-CG2 3.39Å
96N47.2Very low58Low151 Ų151105.9 Ų105.981%0.80760%0.596SS**THydrogen-bonded Turntrans-91.15172.1-159.323.9000113.4Y92 F94Y92-N96 PolarHBondContact O-N 2.98Å; F94-N96 VanDerWaalsContact C-N 3.27Å; F94-N96 PolarHBondContact O-N 2.94Å
97S44.1Very low56.2Low71 Ų71113.1 Ų113.150%0.49764%0.635SS.*SBendtrans-121.255.8-172.8-159.20000113.4F94 Y99F94-S97 PolarHBondContact O-N 3.47Å; F94-S97 VanDerWaalsContact O-N 3.09Å; S97-Y99 VanDerWaalsContact C-N 3.29Å; S97-Y99 WeakPolarHBondContact O-CD2 3.09Å; S97-Y99 PolarHBondContact O-N 3.32Å
98G38.8Very low54.6Low77 Ų77116.7 Ų116.779%0.79465%0.653SS**SBendtrans66.60.4151.900000120.3P100G98-P100 WeakPolarHBondContact O-CD 3.41Å
99Y40.4Very low52.6Low207 Ų207119.8 Ų119.881%0.81267%0.67SS**  trans-99.9112.2-178.1-77.1-74.4000113S97 N101S97-Y99 VanDerWaalsContact C-N 3.29Å; S97-Y99 WeakPolarHBondContact O-CD2 3.09Å; S97-Y99 PolarHBondContact O-N 3.32Å; Y99-N101 VanDerWaalsContact C-N 3.33Å; Y99-N101 PolarHBondContact O-N 3.01Å
100P40.6Very low50.8Low121 Ų121121.2 Ų121.279%0.78669%0.688SS**  trans-86.956.7-172.436.8-38000113.7G98G98-P100 WeakPolarHBondContact O-CD 3.41Å
101N47.3Very low49Very low162 Ų162127.3 Ų127.387%0.86672%0.718SS**  trans-99.994.7167.9-88.334.3000109.5Y99Y99-N101 VanDerWaalsContact C-N 3.33Å; Y99-N101 PolarHBondContact O-N 3.01Å
102G38.6Very low47.6Very low76 Ų76130.1 Ų130.178%0.78474%0.742SS**  trans-83132.1-168.400000115.5
103L49.4Very low46.3Very low167 Ų167125.9 Ų125.987%0.87475%0.746SS**  trans-128.1149.3146.1-86.8168.8000108
104P46.5Very low45.7Very low115 Ų115129.9 Ų129.975%0.74776%0.764SS**  trans-78.3132.8-159.229.4-35.3000113.5P106P104-P106 WeakPolarHBondContact O-CD 3.43Å
105H46.3Very low45.4Very low152 Ų152128.5 Ų128.570%0.70477%0.771SS**  trans-70.4121.1172.3-163.3-48.2000110.1N107H105-N107 PolarHBondContact O-N 2.75Å
106P47.3Very low45.5Very low110 Ų110128.4 Ų128.471%0.71478%0.775SS**THydrogen-bonded Turntrans-73.898.1177.929.1-33000109.8P104P104-P106 WeakPolarHBondContact O-CD 3.43Å
107N45.6Very low45.4Very low156 Ų156128.3 Ų128.383%0.83478%0.78SS**THydrogen-bonded Turntrans178.5-2.4153.6-99.8-12.8000115H105H105-N107 PolarHBondContact O-N 2.75Å
108H51Low45.6Very low170 Ų170130 Ų13079%0.78779%0.792SS**PPolyproline II helixtrans-81.5128175.2-156.5-76.9000111.5
109P41.5Very low45.9Very low100 Ų100129.7 Ų129.765%0.64979%0.788SS**PPolyproline II helixtrans-66.5154.5175.527.9-35000111.8
110V41.6Very low46Very low146 Ų146126.2 Ų126.289%0.88579%0.791SS**PPolyproline II helixtrans-64.3130.6-177.5-70.30000112.5
111M44.1Very low46Very low174 Ų174124.5 Ų124.586%0.85780%0.796SS**  trans-139.6123155.1-173.259.579.100109.1
112S47Very low45.7Very low112 Ų112120.7 Ų120.778%0.78380%0.795SS**  trans-79146-168.249.20000114.7
113G47.2Very low46Very low67 Ų67122.3 Ų122.369%0.69180%0.8SS**  trans109.9127.1148.200000116
114P51.2Low46Very low124 Ų124117.9 Ų117.981%0.80580%0.795SS**PPolyproline II helixtrans-72.8145.916731.9-33.6000110.6S116P114-S116 PolarHBondContact O-N 3.19Å
115P49.4Very low45.9Very low128 Ų128119 Ų11983%0.83180%0.802SS**PPolyproline II helixtrans-71.2120.8-17928.4-33.9000111.4
116S50.1Low45.8Very low110 Ų110115 Ų11577%0.76980%0.803SS**PPolyproline II helixtrans-68.3130.2168.9-174.90000110.3P114 S118P114-S116 PolarHBondContact O-N 3.19Å; S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.25Å
117V46.4Very low46.1Very low150 Ų150118.5 Ų118.591%0.90981%0.811SS**  trans-82.770.9179.558.20000111.3
118S48.1Very low46.7Very low107 Ų107116.5 Ų116.575%0.74881%0.807SS**  trans-81.8113.9168.656.60000110.4S116S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.25Å
119G44.3Very low46.9Very low69 Ų69113.9 Ų113.971%0.71181%0.805SS**  trans-72.5163.6-173.400000115.7
120P42.8Very low47.3Very low134 Ų134114.4 Ų114.487%0.8781%0.809SS**  trans-94.5144.4-175.235.9-34.1000114.5
121G40.4Very low47.5Very low86 Ų86115.7 Ų115.789%0.88781%0.81SS**  trans96.9133.1161.800000115.8
122G40.7Very low47.6Very low82 Ų82110.6 Ų110.685%0.84580%0.802SS**  trans165.558.7-178.300000115
123A44.1Very low47.8Very low109 Ų109111.3 Ų111.390%0.90180%0.803SS**  trans-30.1145.7-178.100000119.6
124G50.1Low47.7Very low74 Ų74113.9 Ų113.976%0.76381%0.808SS**  trans155.9128.1152.200000116
125P43.7Very low47.3Very low139 Ų139111 Ų11190%0.90380%0.801SS**  trans-107.8153.2-174.738.4-31.6000114.8
126G45.6Very low47.4Very low69 Ų69111 Ų11171%0.71180%0.801SS**  trans-156.286.8179.300000116
127M53.4Low47.2Very low182 Ų182112.5 Ų112.590%0.89780%0.8SS**  trans61.5117.7152.8-53-54167.400121.4
128P57.8Low47.3Very low115 Ų115110.3 Ų110.375%0.74779%0.79SS**  trans-106-160.1162.544.4-35000110.2
129P55.8Low47.1Very low114 Ų114111 Ų11174%0.7479%0.789SS**  cis-106.6-121.6-20.741.1-25.2000107.9
130P50Low47.3Very low112 Ų112112.5 Ų112.573%0.72779%0.788SS**  cis-88-157.4-10.616.96.7000110.3
131L45.9Very low47.5Very low173 Ų173113.6 Ų113.691%0.90678%0.784SS**  cis-134.5-174.310.8-90172.9000111.2
132G45.9Very low47.7Very low67 Ų67120.3 Ų120.369%0.69178%0.782SS**  trans-100-176.5-178.400000116.8
133P50.8Low47.9Very low126 Ų126125 Ų12582%0.81878%0.782SS**  trans-102.7-170.8-16443.8-39.1000113.2
134P45.8Very low47.5Very low121 Ų121131.6 Ų131.679%0.78678%0.784SS**  cis-122.6-176.5-7.235.9-17.3000114.2
135G41.7Very low47.3Very low65 Ų65132.9 Ų132.967%0.6778%0.779SS**  trans-72.7165.1172.200000113.9
136P51.9Low47.3Very low127 Ų127132.7 Ų132.783%0.82578%0.775SS**  -121.3-177.893.8-4.425.5000116.9
137D45.9Very low47.3Very low141 Ų141132.6 Ų132.675%0.75477%0.774SS**  trans-68.8177.1172.661.2-71.8000113
138P48.1Very low46.7Very low105 Ų105130.2 Ų130.268%0.68277%0.773SS**  cis-146.6-160.53436.8-10.7000118
139V45.1Very low46.2Very low120 Ų120130.7 Ų130.773%0.72778%0.775SS**  trans101100160.9-170.10000117.5
140S47.1Very low45.6Very low101 Ų101132.2 Ų132.271%0.70678%0.776SS**  trans57.3133.5142.5-62.30000120.6
141M48.7Very low45.2Very low157 Ų157134.3 Ų134.377%0.77378%0.779SS**  cis-157.6143.56.1-168.9157.2-70.200112.5
142R43.2Very low44.9Very low228 Ų228132.2 Ų132.286%0.8677%0.773SS**  trans17.7108.5164.8-64-180175.3-126.30.1118.1
143Q45.6Very low44.6Very low180 Ų180133 Ų13384%0.84177%0.773SS**  52.6123.272.4-64.5-166.36.900117.6
144R36.5Very low44.2Very low247 Ų247133.1 Ų133.193%0.93278%0.777SS**  trans-147.499.9147.7178177.5168.1169.7-4110.5
145P44.2Very low43.9Very low101 Ų101130.5 Ų130.566%0.65677%0.772SS**  trans-90.9-178.9178.4-11.530.8000115.5
146T45.3Very low44.1Very low136 Ų136135 Ų13583%0.83478%0.78SS**  trans-60.9153.9175.348.90000117.1
147G44.8Very low43.5Very low67 Ų67137.3 Ų137.369%0.69178%0.78SS**  trans89.1141137.900000118.1
148P41.8Very low43.3Very low132 Ų132137.9 Ų137.986%0.85778%0.783SS**  trans-89.8132.9177.134.1-32.2000113
149P46.4Very low43Very low124 Ų124138.3 Ų138.381%0.80579%0.785SS**  trans-89.6162.1165.335.5-32.9000112.2
150L42.9Very low42.7Very low146 Ų146135.7 Ų135.776%0.76478%0.783SS**  trans-127126.3-176.1173.4140.1000110.6
151M41Very low42.4Very low157 Ų157137.5 Ų137.577%0.77379%0.792SS**  trans63164.1-176.7-48-63.6172.500113.4
152T39.4Very low42Very low129 Ų129133.2 Ų133.279%0.79179%0.789SS**  cis-153.7152.615.7-32.90000111.1
153A41.5Very low42.2Very low83 Ų83130.5 Ų130.569%0.68679%0.79SS**  trans51.9131152.800000122.4
154S41.2Very low42Very low128 Ų128131.6 Ų131.690%0.89580%0.795SS**  trans64.1128.6150-54.50000119.3
155G39.3Very low42.3Very low67 Ų67123 Ų12369%0.69178%0.784SS**  cis167.9172.3-4.800000112.4
156L46.1Very low42.7Very low160 Ų160124.4 Ų124.484%0.83879%0.793SS**  trans76.4154.5173.3-53175.5000119.3
157Q39.2Very low42.7Very low174 Ų174122.7 Ų122.781%0.81379%0.787SS**  trans50.192.2165.355.5-123.627.300122.8
158N41.7Very low43.1Very low154 Ų154125.8 Ų125.882%0.82480%0.795SS**  trans-51.7166.2139.8-153.339.5000111.5
159P43.1Very low43.6Very low113 Ų113128.1 Ų128.173%0.73479%0.794SS**  cis-130174.311.940-21.3000117.5
160G37.7Very low43.5Very low66 Ų66129.9 Ų129.968%0.6879%0.791SS**  trans-85.7-145.117500000114.2
161P40.8Very low43.9Very low138 Ų138128 Ų12890%0.89679%0.788SS**  cis-124.6168.713.741.7-28.5000115.5
162G40.1Very low43.8Very low68 Ų68125.5 Ų125.570%0.70179%0.785SS**  trans177.8107.6170.300000117.4
163L46.8Very low44.3Very low171 Ų171125.6 Ų125.690%0.89579%0.786SS**  trans40.899.2145.2-54.3176.5000119.9
164Q41.9Very low44.5Very low202 Ų202131.8 Ų131.894%0.94479%0.791SS**  trans-156.7139.2146-127.1151.7106.800111.3
165G42.5Very low44.6Very low68 Ų68135.3 Ų135.370%0.70179%0.791SS**PPolyproline II helixtrans-99.7155.4-175.900000113.7
166P53.4Low45.1Very low129 Ų129138.7 Ų138.784%0.83879%0.788SS**PPolyproline II helixtrans-83.8148.5-179.633.7-34.9000113.4
167S45.9Very low44.9Very low100 Ų100139.4 Ų139.470%0.69979%0.787SS**PPolyproline II helixtrans-70.5148.8178.7-50.80000113.6H169S167-H169 PolarHBondContact O-N 2.94Å
168P52.6Low45.3Very low133 Ų133137.1 Ų137.186%0.86479%0.788SS**  trans-74.5115.7173.430.1-33.3000111.5
169H52Low45.2Very low181 Ų181132.8 Ų132.884%0.83878%0.779SS**PPolyproline II helixtrans-93.4143.1165.4-89.1-89.6000111.3S167 P171S167-H169 PolarHBondContact O-N 2.94Å; H169-P171 WeakPolarHBondContact O-CD 3.25Å
170H44.6Very low45Very low161 Ų161132.5 Ų132.575%0.74579%0.787SS**PPolyproline II helixtrans-74.2121.5-170.6178-75.8000114
171P51.7Low45Very low107 Ų107133.2 Ų133.270%0.69579%0.793SS**PPolyproline II helixtrans-97.8118171.334.5-27.1000112H169 V173H169-P171 WeakPolarHBondContact O-CD 3.25Å; P171-V173 PolarHBondContact O-N 2.87Å
172S37.7Very low44.8Very low103 Ų103130.2 Ų130.272%0.7279%0.788SS**  trans-74.4106.8173.6-58.30000111.3R174S172-R174 PolarHBondContact O-N 3.47Å
173V50.8Low44.5Very low132 Ų132138.7 Ų138.780%0.880%0.8SS**  trans-76.4101177.4-76.90000112.3P171 F175P171-V173 PolarHBondContact O-N 2.87Å; V173-F175 PolarHBondContact O-N 3.34Å
174R44.5Very low44.5Very low212 Ų212136.2 Ų136.280%0.880%0.795SS**  trans-75.5101157.5-70.1-172.8-174-178.83.2108.5S172 H176S172-R174 PolarHBondContact O-N 3.47Å; R174-H176 PolarHBondContact O-CE1 3.46Å; R174-H176 PolarHBondContact O-ND1 3.42Å
175F45.2Very low44.3Very low203 Ų203130.3 Ų130.389%0.8979%0.788SS**  trans-73132.5168.8-133.3-88.7000110.2V173V173-F175 PolarHBondContact O-N 3.34Å
176H48.7Very low44.3Very low137 Ų137135 Ų13563%0.63480%0.795SS**  trans-106.5151.5-172-75.870.1000111.9R174 P178R174-H176 PolarHBondContact O-CE1 3.46Å; R174-H176 PolarHBondContact O-ND1 3.42Å; H176-P178 WeakPolarHBondContact O-CD 3.17Å
177Q41.6Very low43.7Very low175 Ų175134.4 Ų134.482%0.81879%0.792SS**  trans-51.9123.5164.7-96-9322.800111.9G179Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-G179 PolarHBondContact O-N 3.45Å
178P48.5Very low43.7Very low127 Ų127136.5 Ų136.583%0.82580%0.8SS**  trans-87.368.8168.435.2-32.4000110.8H176 A180H176-P178 WeakPolarHBondContact O-CD 3.17Å; P178-A180 PolarHBondContact O-N 3.48Å
179G38.6Very low43.1Very low63 Ų63133.8 Ų133.865%0.64980%0.796SS**  trans-82.1112.2174.600000112.5Q177Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-G179 PolarHBondContact O-N 3.45Å
180A39.4Very low42.4Very low107 Ų107128.8 Ų128.888%0.88479%0.793SS**SBendtrans35.8103.2159.200000119.4P178P178-A180 PolarHBondContact O-N 3.48Å
181G38.5Very low42.1Very low80 Ų80126.6 Ų126.683%0.82580%0.796SS**  trans155.9137.7150.700000117.4
182G34.8Very low41.6Very low76 Ų76130.1 Ų130.178%0.78481%0.805SS**  trans76.9100.1152.100000118.4P184G182-P184 WeakPolarHBondContact O-CD 3.46Å
183Y34.6Very low42.1Very low245 Ų245133 Ų13396%0.96181%0.811SS**  trans-78.4131157.6-82.7-99.1000110.9
184P47.5Very low42Very low120 Ų120132.2 Ų132.278%0.77981%0.808SS**  trans-107.5115156.933.4-22.6000110.4G182G182-P184 WeakPolarHBondContact O-CD 3.46Å
185G37.4Very low42.1Very low77 Ų77127.3 Ų127.379%0.79480%0.804SS**  trans-82.5155.7177.200000113.6
186I42.3Very low41.6Very low166 Ų166126.6 Ų126.685%0.85180%0.803SS**  trans-117129.3172.4-63.8179.7000109.2
187P41Very low41.1Very low118 Ų118124.7 Ų124.777%0.76681%0.811SS**  trans-107114.8-174.836.3-30.1000114.8
188V45.8Very low40.9Very low144 Ų144123.7 Ų123.787%0.87381%0.811SS**  trans-150.5137.8153.4-173.10000106.4
189G39.6Very low40.5Very low76 Ų76125.6 Ų125.678%0.78481%0.814SS**  cis150.3116-4.400000110.4
190G38.6Very low40.8Very low75 Ų75130.5 Ų130.577%0.77382%0.824SS**  trans132.2116.6177.400000114.4
191S37.8Very low41Very low115 Ų115131.5 Ų131.580%0.80482%0.822SS**  trans8.4144.6153.4-42.80000119.9
192M40.7Very low41.2Very low182 Ų182130.7 Ų130.790%0.89781%0.814SS**  cis-151.8148.634.5-26.1-171.5-178.600112.7
193I49.3Very low41.5Very low162 Ų162133.3 Ų133.383%0.83182%0.82SS**  trans-127.7142.5167.4-46167000106.5
194P47.5Very low41.8Very low116 Ų116125.1 Ų125.175%0.75381%0.81SS**  -147.3-175.4121.844.2-28.1000111.8
195P47.3Very low41.9Very low110 Ų110125.3 Ų125.371%0.71481%0.811SS**  -135.5-176.9-84.639.1-19.3000115
196H34.7Very low42.1Very low187 Ų187126.9 Ų126.987%0.86681%0.81SS**  trans-49.3149.5170-45.9-102.5000115.1
197A38.6Very low42.3Very low97 Ų97127.9 Ų127.980%0.80281%0.811SS**  -179.7150.910900000113
198N37.5Very low42.7Very low154 Ų154127.4 Ų127.482%0.82481%0.807SS**  trans-75148.9158.1-78.7-19.3000109.6
199L39.2Very low42.9Very low168 Ų168128.2 Ų128.288%0.8880%0.804SS**  174.4155.1116.4-90.1164.8000113.2
200L45.8Very low43.3Very low165 Ų165133.4 Ų133.486%0.86481%0.807SS**  trans-68.7178.6-164-100.266.2000117.1
201P43.8Very low43.8Very low128 Ų128133.3 Ų133.383%0.83181%0.806SS**  trans-120.5-174.3-139.146.1-38.6000116.5
202G41Very low44.1Very low64 Ų64135.5 Ų135.566%0.6681%0.809SS**  trans-175.9131.6161.500000118.6
203S41.1Very low44.8Very low131 Ų131131.3 Ų131.392%0.91680%0.795SS**  trans60.9137.8150.446.30000123.5
204G40.6Very low44.9Very low72 Ų72132.5 Ų132.574%0.74280%0.799SS**  trans-101.1-135.8165.900000112.5
205P50.2Low45.1Very low125 Ų125135.7 Ų135.781%0.81281%0.806SS**  cis-146.7-165.34.944.5-24.4000117.1
206S42.6Very low45.2Very low110 Ų110135.3 Ų135.377%0.76980%0.804SS**  trans105.8146.3149.977.10000122.6
207H45.2Very low46Very low187 Ų187134.9 Ų134.987%0.86680%0.802SS**  trans-141.9176.8179.7-54.8-90.1000109.6
208P50.9Low46.3Very low107 Ų107137.8 Ų137.870%0.69580%0.798SS**  -166-178.789.845.3-24.3000120
209M49.3Very low46.9Very low161 Ų161138.5 Ų138.579%0.79380%0.797SS**  trans69.4154.1152.9-61.3-29170.400122.4
210H46.8Very low47.5Very low186 Ų186135.6 Ų135.686%0.86179%0.788SS**  cis-173.1150.7-35.3-13894.1000110.9
211G50.4Low47.6Very low72 Ų72133.8 Ų133.874%0.74279%0.786SS**  trans140.8132.1161.200000119.4
212N43.1Very low47.6Very low162 Ų162131.5 Ų131.587%0.86679%0.786SS**  trans-172.8-175.9176.6-142.65.5000108.8
213P56.1Low47.6Very low93 Ų93133.3 Ų133.360%0.60479%0.794SS**  cis-131.7-163.9-17.645-27.5000113.6
214M52.1Low48Very low187 Ų187135.5 Ų135.592%0.92179%0.794SS**  trans-165.3173.8148.5-94.8-47.4150.900112.9
215M51.8Low48.2Very low184 Ų184139.2 Ų139.291%0.90680%0.802SS**  trans-133.6175-152.9-104.2-143.6166.900119.3
216P48.8Very low47.8Very low102 Ų102136.5 Ų136.566%0.66280%0.797SS**  trans-112.4-175-160.944.4-38.2000117.3
217H50.3Low47.9Very low178 Ų178140.1 Ų140.182%0.82480%0.801SS**  trans-149.9135175.4-90.861.3000117.4
218H46.1Very low47.9Very low157 Ų157136.4 Ų136.473%0.72779%0.794SS**  trans58.7104139.4-78.9-104.3000128.2
219H49.9Very low47.6Very low170 Ų170142.4 Ų142.479%0.78780%0.802SS**  60.4159.1109.2-71.5-69.2000126.7
220P51.7Low47.7Very low107 Ų107141 Ų14170%0.69581%0.805SS**  trans-131-136.7-157.646.2-26.2000113.4
221P48.1Very low47.6Very low126 Ų126142.9 Ų142.982%0.81881%0.805SS**  cis-123.8-175.3-42.838.8-22.3000114.2
222G44.1Very low47.1Very low81 Ų81151.5 Ų151.584%0.83582%0.815SS**  trans-157.8159.5169.800000113.5
223A41.3Very low47.6Very low101 Ų101150.5 Ų150.584%0.83581%0.808SS**  trans-125.8154.2-161.300000116.8
224I47.5Very low46.8Very low178 Ų178148.8 Ų148.891%0.91381%0.808SS**  trans-156168.5148.327.7172.8000110.8
225V45Very low46.4Very low149 Ų149145.5 Ų145.590%0.90380%0.8SS**  trans-101.4141.6-160.2174.90000113.9
226G42.7Very low46.2Very low69 Ų69142.7 Ų142.771%0.71180%0.799SS**  trans174.2114.3165.900000115.6
227H44.1Very low46.2Very low185 Ų185145 Ų14586%0.85680%0.804SS**  trans-92.5159.9162.6-63.2-48.4000108.8
228P45.3Very low45.9Very low109 Ų109142.3 Ų142.371%0.70880%0.802SS**  cis-154.5-17240.845.4-24.1000118.7
229R45Very low45.6Very low234 Ų234144.3 Ų144.388%0.88381%0.812SS**  trans61.9111.6157.1-73.7174.9178.1171.6-1.4119.5
230P51.3Low45.1Very low131 Ų131145.6 Ų145.685%0.85182%0.818SS**PPolyproline II helixtrans-67.8142.9155.4-12.128.4000111.3
231R45.2Very low44.5Very low225 Ų225145.5 Ų145.585%0.84983%0.827SS**PPolyproline II helixtrans-95.3123.8178.6-175178.1-171.8151.5-0.1109.9
232W40Very low43.9Very low254 Ų254143.3 Ų143.396%0.96283%0.826SS**PPolyproline II helixtrans-69139.6168.4-82.584.7000110.3
233I53.7Low43.7Very low140 Ų140142.8 Ų142.872%0.71882%0.821SS**  trans-133.9143.6175.9-69.5178.6000107.8
234G39.6Very low44.6Very low58 Ų58144.2 Ų144.260%0.59882%0.822SS**  trans-68.7175.2-176.600000115.1
235P43.4Very low44.6Very low118 Ų118141.6 Ų141.677%0.76682%0.816SS**  trans-83.2143-160.432-35.9000114.8
236S47.4Very low44.4Very low125 Ų125140.2 Ų140.287%0.87481%0.812SS**  trans-118.1141.1161.2-67.40000109.6
237I48.4Very low45.1Very low150 Ų150143 Ų14377%0.76982%0.817SS**  trans-138.8139.1-169.2-42175000108.7
238P43.8Very low45.1Very low122 Ų122140 Ų14079%0.79281%0.814SS**  cis-125.5150.2-36.136.5-22.3000111.4
239Q39.9Very low45.1Very low199 Ų199143.3 Ų143.393%0.9382%0.82SS**  trans-128.5138.9168.3-161.7167.382.200111.5A241Q239-A241 PolarHBondContact O-N 3Å
240Q39.6Very low45Very low197 Ų197141 Ų14192%0.92182%0.82SS**  trans-85.6111.4-164.7-63.7178.83.700112.9
241A38.1Very low44.2Very low105 Ų105139 Ų13987%0.86882%0.822SS**  trans-158.2145.7155.500000107.6Q239Q239-A241 PolarHBondContact O-N 3Å
242G36.2Very low43.8Very low79 Ų79132 Ų13281%0.81482%0.821SS**  cis170.8103.6-3.800000107
243G40.6Very low43.6Very low70 Ų70123.4 Ų123.472%0.72281%0.811SS**PPolyproline II helixtrans-85.6161.7-166.800000115.1
244P58.9Low43.2Very low132 Ų132122.5 Ų122.586%0.85781%0.814SS**PPolyproline II helixtrans-71.5145.3168.831.2-33.9000111.2
245P48Very low43.4Very low122 Ų122125.1 Ų125.179%0.79282%0.821SS**PPolyproline II helixtrans-93.5160.8-166.636.4-37.3000115
246C40.7Very low43.1Very low120 Ų120125.4 Ų125.481%0.81182%0.82SS**PPolyproline II helixtrans-74.2139.3166.7-54.50000111.5
247P58.8Low42.3Very low127 Ų127125.2 Ų125.283%0.82582%0.817SS**PPolyproline II helixtrans-79139.7170.831.8-33.3000111.7
248P42.8Very low41.7Very low122 Ų122124.3 Ų124.379%0.79282%0.824SS**  trans-105.8149.8-177.738.2-33.6000114.5
249Q46.4Very low41.1Very low179 Ų179121.8 Ų121.884%0.83682%0.82SS**  trans-168.9131147.2-105.7-176.230.700105.9
250Q42Very low40.9Very low187 Ų187118.5 Ų118.587%0.87482%0.819SS**  47132.372.5-60.9-174.5-1.600112.8
251G34.9Very low40.8Very low87 Ų87114.1 Ų114.190%0.89782%0.817SS**  cis141.278.77.600000109.3
252G37.6Very low40.8Very low80 Ų80112.3 Ų112.383%0.82581%0.808SS**  trans-164.8144.8-176.700000111.8
253G35.4Very low41.3Very low72 Ų72114.2 Ų114.274%0.74281%0.806SS**  trans-84.8174.5-174.700000115.2
254P45.5Very low41.1Very low121 Ų121118 Ų11879%0.78681%0.81SS**  trans-88161.9-171.336.2-37.2000114.4
255P43.7Very low40.1Very low114 Ų114117.2 Ų117.274%0.7481%0.807SS**  -129.9126.3117.634.3-25.5000111.5
256V35.5Very low39.7Very low124 Ų124117.4 Ų117.475%0.75281%0.806SS**  54.4123.385.9-55.10000117.8
257C30.4Very low39.5Very low120 Ų120117.2 Ų117.281%0.81181%0.806SS**  trans60105147.6-62.80000121.7
258S36.1Very low38.6Very low132 Ų132116.5 Ų116.592%0.92380%0.804SS**  160.3149.8124.5-72.10000110.5
259G31.6Very low38.4Very low68 Ų68115.8 Ų115.870%0.70181%0.809SS**  cis155.8120.6-6.800000112.4
260S35.8Very low38Very low130 Ų130110.7 Ų110.791%0.90980%0.804SS**  trans57115.1159.5-55.40000121.1
261A38.7Very low38Very low106 Ų106108.4 Ų108.488%0.87681%0.806SS**  -177128.3124.900000113.5
262G37.7Very low38.2Very low67 Ų67107.6 Ų107.669%0.69180%0.797SS**  trans-98-172.1148.700000109.9
263P46.1Very low38.5Very low118 Ų118109.5 Ų109.577%0.76680%0.797SS**  cis-148.4162.943.240.3-20.2000119.2
264N37.4Very low38.9Very low151 Ų151112.6 Ų112.681%0.80780%0.802SS**  trans0.3144.9146.3-35-18.3000121.1
265S37.3Very low38.6Very low114 Ų114110.2 Ų110.280%0.79780%0.799SS**  trans-169.1130.5133.8-86.40000116.1
266V38.5Very low38.7Very low127 Ų127111.4 Ų111.477%0.7781%0.807SS**  trans45.7118.4150.1-49.30000121.4
267S36.5Very low38.9Very low115 Ų115109.4 Ų109.480%0.80481%0.811SS**  81145.987.4-520000114.9
268S39.8Very low39.1Very low112 Ų112109.6 Ų109.678%0.78381%0.814SS**  cis-158.815422.249.20000115.1
269A40.1Very low39.2Very low108 Ų108109.5 Ų109.589%0.89381%0.812SS**  trans56.2149162.900000119.9
270G37.3Very low39.4Very low72 Ų72110 Ų11074%0.74282%0.818SS**  cis125.8151.5-0.500000112.5
271P42.5Very low39.4Very low139 Ų139107 Ų10790%0.90381%0.807SS**  cis-134.7173.3-542.9-26.7000116.5
272G38.6Very low39.3Very low69 Ų69108.4 Ų108.471%0.71181%0.81SS**  trans119.8107.6143.200000121.4
273S43.5Very low39.2Very low120 Ų120108.3 Ų108.384%0.83981%0.809SS**  trans55.1133.9133.9-64.50000122.2
274V43.7Very low38.9Very low138 Ų138110.4 Ų110.484%0.83681%0.813SS**  cis-154.7154.56.3-82.30000112.8
275G39.5Very low39.2Very low71 Ų71109.1 Ų109.173%0.73281%0.81SS**  trans78.3159.3155.100000117.7
276P46.2Very low39.4Very low138 Ų138109.5 Ų109.590%0.89681%0.809SS**  cis-96176.49.438.2-35.8000115.2
277G39.6Very low39.5Very low82 Ų82109 Ų10985%0.84581%0.812SS**  trans-89.8175.5-170.900000116.8
278S35.4Very low39.7Very low124 Ų124109.6 Ų109.687%0.86781%0.813SS**  trans-141.8137.6-171.3172.30000113.2
279C38.3Very low39.7Very low130 Ų130107.9 Ų107.988%0.87881%0.812SS**  trans-167.2151.7151.956.40000109.4
280G35.3Very low39.9Very low80 Ų80111.7 Ų111.783%0.82581%0.812SS**  cis172.6142.7-10.600000112.3
281G35.8Very low40.2Very low67 Ų67114 Ų11469%0.69181%0.813SS**  trans115.5120.4179.400000112.1
282S36.7Very low40.3Very low134 Ų134111.1 Ų111.194%0.93781%0.809SS**  cis62120.749.3-49.40000111.9
283G34.2Very low40.7Very low65 Ų65114 Ų11467%0.6781%0.813SS**  cis154.6-171.91.800000110.3
284I40.3Very low40.5Very low163 Ų163113.6 Ų113.684%0.83681%0.808SS**  trans78.7105.7164.5-55.1167.3000117.3
285V45.1Very low40.4Very low123 Ų123112.9 Ų112.975%0.74580%0.804SS**  trans20.9148.3153.3-43.10000123.5
286P40.9Very low40.3Very low122 Ų122117.8 Ų117.879%0.79281%0.808SS**  trans-84.7151.5170.336.3-35.8000113.3
287S40Very low40Very low117 Ų117119 Ų11982%0.81880%0.801SS**  trans-158.2157.7160.5-80.60000111.5
288P40.8Very low39.8Very low128 Ų128119.7 Ų119.783%0.83180%0.799SS**  trans-103.4151.2-158319.6000115
289G39.2Very low40Very low75 Ų75119.4 Ų119.477%0.77379%0.794SS**  trans-159.4126172.300000113.7
290H45.4Very low39.9Very low189 Ų189121.6 Ų121.688%0.87579%0.791SS**  trans-93.9177169-72.8-84.6000109.6
291P42.7Very low40.1Very low119 Ų119125 Ų12577%0.77379%0.79SS**  cis-132.6169.38.640.8-23.6000116.8
292G44.8Very low40.1Very low80 Ų80126.4 Ų126.483%0.82579%0.794SS**  trans-173.565.6177.400000112.3
293T46.3Very low40.1Very low129 Ų129124.4 Ų124.479%0.79179%0.786SS**  trans-90.8167.8-176.429.10000112.4
294P40.7Very low40.6Very low111 Ų111127.4 Ų127.472%0.72179%0.794SS**  cis-132.9136.919.737.4-18.6000117.9
295T41Very low40.3Very low123 Ų123124.8 Ų124.876%0.75579%0.79SS**  trans-83123.5151-48.90000108.4H297T295-H297 PolarHBondContact O-N 3.16Å
296Q38.6Very low40.6Very low174 Ų174125.1 Ų125.181%0.81380%0.795SS**  trans-71.6113.3173.6-78.8-84.2-2.900110.1
297H39.4Very low40.6Very low163 Ų163126.9 Ų126.976%0.75580%0.796SS**  trans-81.6152.1163.3-88.5-103.8000110.2T295T295-H297 PolarHBondContact O-N 3.16Å
298A34.7Very low40.6Very low98 Ų98128.1 Ų128.181%0.8179%0.793SS**  trans-67.5149.4-178.800000113.3
299P40.7Very low40.5Very low117 Ų117127.2 Ų127.276%0.7678%0.782SS**  trans-111.9128.2141.933.8-27000110.9
300H35.7Very low40.6Very low176 Ų176131 Ų13182%0.81578%0.779SS**  trans-70120.8158.7155-71.2000108.5
301L38.3Very low40.4Very low152 Ų152127.3 Ų127.380%0.79677%0.774SS**  trans174.8136.6149.1-99162.5000112.4
302A36.5Very low40.2Very low96 Ų96128.3 Ų128.379%0.79377%0.773SS**  trans51.7137.315500000121.7
303A37.3Very low40.1Very low93 Ų93130.1 Ų130.177%0.76976%0.764SS**  trans-81.1163.2167.500000112.2
304P44Very low40Very low127 Ų127132.5 Ų132.583%0.82577%0.766SS**  -138.6151.7118.337.6-27.3000114.5
305S34.7Very low39.9Very low109 Ų109135.6 Ų135.676%0.76277%0.771SS**  trans-96.6146.5171.3-50.70000111.4
306P51.5Low40.2Very low130 Ų130134 Ų13484%0.84476%0.763SS**  trans-84.1141.5161.533.5-31000111
307I40.8Very low40.4Very low158 Ų158131.4 Ų131.481%0.8176%0.764SS**  trans-135.8124.5178.4-166.6172.3000110.7
308N40.3Very low40.4Very low143 Ų143127.8 Ų127.877%0.76577%0.771SS**  trans172.6149.2165-107.1-4000109.6
309N38Very low40.6Very low110 Ų110127.1 Ų127.159%0.58877%0.773SS**  cis-156.6140.7-11.9-150.212000112.4
310Q40.5Very low40.6Very low154 Ų154125.1 Ų125.172%0.7277%0.774SS**  trans32.7117150.1-69.6165.955.300122.9
311S41.4Very low40.8Very low111 Ų111124.4 Ų124.478%0.77678%0.775SS**  173.8122.4125.2-71.70000108.8
312N39.1Very low41.1Very low140 Ų140123.1 Ų123.175%0.74978%0.778SS**  61.6121.271-70.375.3000111.9
313D43.6Very low41.3Very low118 Ų118122.1 Ų122.163%0.63178%0.778SS**  cis-157.6151.217.9-115.8-127.7000114.1
314H42.6Very low41.5Very low179 Ų179126.9 Ų126.983%0.82978%0.784SS**  trans60.2165.1149.9-74.594.6000126.3
315Q39.3Very low41.9Very low176 Ų176125.2 Ų125.282%0.82277%0.772SS**  trans-122.2-163.6-160.2-122.9-156.9-34.300110.7
316P48.1Very low42.3Very low90 Ų90128.3 Ų128.358%0.58477%0.774SS**  -138.3-172.2-50.136.4-15.9000116.4
317S41.9Very low41.8Very low119 Ų119129.6 Ų129.683%0.83277%0.769SS**  trans107.4128.6138.2-66.10000124.9
318G40.1Very low42Very low88 Ų88127.3 Ų127.391%0.90777%0.765SS**  trans91.1145.3148.900000119.6
319G38.5Very low42.2Very low84 Ų84126 Ų12687%0.86676%0.762SS**  cis165.6128.7-15.700000116.9
320G40.4Very low43Very low75 Ų75126.6 Ų126.677%0.77377%0.771SS**  trans81.2168.916200000119.7
321I40.7Very low43.1Very low161 Ų161125.2 Ų125.283%0.82678%0.776SS**  cis-166.7162.5-23.438168.9000111.2
322S42.9Very low43Very low124 Ų124129 Ų12987%0.86778%0.781SS**  trans79.8145.6166.7-45.50000118.4
323G40.7Very low43Very low76 Ų76133 Ų13378%0.78479%0.787SS**  cis-172.6162.5-4.800000113.9
324H43Very low43Very low193 Ų193136.3 Ų136.389%0.89480%0.801SS**  trans-102-170.7-176-93.2-60.2000112.1
325P52.4Low43Very low91 Ų91131.6 Ų131.659%0.59180%0.801SS**  cis-155.4-172.927.135.7-7.2000121.4
326H41.9Very low42.9Very low174 Ų174127.3 Ų127.381%0.80680%0.804SS**  trans68.6134.4164.3-48.3-55.5000119.9
327H42.2Very low42.6Very low157 Ų157131.4 Ų131.473%0.72782%0.815SS**  cis88.5133.323.2-153.8-108.1000114.2
328P44.3Very low42.9Very low111 Ų111130.9 Ų130.972%0.72181%0.809SS**  cis-143.9-17845.544.2-24.5000120.1
329T45.5Very low43.2Very low116 Ų116132.3 Ų132.371%0.71280%0.802SS**  trans-128.5162.6177.8520000114.4
330P53Low43.4Very low121 Ų121134.1 Ų134.179%0.78680%0.799SS**  trans-102.8165.716837.9-31.6000114.4
331P44.6Very low43.5Very low125 Ų125139 Ų13981%0.81280%0.801SS**  trans-111.7169-157.941.3-35.4000118.3
332H38.9Very low43.5Very low191 Ų191137.7 Ų137.788%0.88479%0.792SS**  trans-102.5164.6171.7-100.6-87.2000112.9
333Y39.5Very low43.3Very low224 Ų224139.6 Ų139.688%0.87879%0.787SS**  trans-142.6147.2167.3-110.3-93.3000113.7
334M43.4Very low43.2Very low188 Ų188142.2 Ų142.293%0.92679%0.788SS**  trans-93.9173.6166-72.3173.2158.500109.7
335G41.4Very low43.3Very low79 Ų79138.4 Ų138.481%0.81478%0.78SS**  cis145157.72.800000110.4
336G38.5Very low43Very low87 Ų87139 Ų13990%0.89779%0.785SS**  trans158.9157.1173.200000117.7
337Q40.5Very low42.6Very low176 Ų176135.9 Ų135.982%0.82278%0.782SS**  trans-154.5145.5-178.2-169-132.8-54.300112.7
338P49Very low42.6Very low107 Ų107134.4 Ų134.470%0.69579%0.79SS**  trans-116.6175.8169.735.9-22.2000115
339P45.3Very low42.1Very low118 Ų118137 Ų13777%0.76680%0.798SS**  trans-114.6176.6-150.242.6-35.9000117.9
340P44.3Very low41.9Very low123 Ų123137.5 Ų137.580%0.79981%0.805SS**  trans-110.6155.4-172.940.2-33.4000117.5
341Q42.8Very low41Very low176 Ų176137.1 Ų137.182%0.82281%0.805SS**  trans-165.6156.1167.3-101.8-167.360.600107.7
342Q40.5Very low40.7Very low135 Ų135139.1 Ų139.163%0.63181%0.808SS**  cis-162.3163.2-16-147.7-174.869.200108.6
343Q37.5Very low41.1Very low164 Ų164135.5 Ų135.577%0.76680%0.801SS**  trans71.9133.2161.5-56.8-178.827.400121.2
344T39.8Very low41.3Very low130 Ų130130.4 Ų130.480%0.79880%0.795SS**  trans-124.8-150.316453.80000105.5
345P43.7Very low40.9Very low113 Ų113129.5 Ų129.573%0.73479%0.789SS**  cis-131.7-122.8-6.627.32000114.3
346P46Very low41Very low105 Ų105137.2 Ų137.268%0.68280%0.795SS**  -135.3-172.2-101.743.8-26.8000117.9
347S33.4Very low40.9Very low108 Ų108137 Ų13776%0.75579%0.785SS**  trans88125.2144.1-65.40000121.1
348S42.9Very low40.8Very low126 Ų126132.8 Ų132.888%0.88178%0.78SS**  trans-160127143.1-81.50000110.5
349N34.5Very low40.3Very low166 Ų166137.9 Ų137.989%0.88879%0.785SS**  trans-98.7136.5173.5-80.6-30.5000110.3
350S39.9Very low40.4Very low125 Ų125137.9 Ų137.987%0.87479%0.785SS**  trans175.3159.6159.1-83.90000109.2
351C34.2Very low40.2Very low114 Ų114136 Ų13677%0.7778%0.775SS**  cis-170.9152.2-30.4-168.20000105.4
352L38.1Very low40.6Very low167 Ų167133 Ų13387%0.87477%0.771SS**  trans-86.4152.2172.4-68.2173.9000111.3
353P48.5Very low40.5Very low115 Ų115134.4 Ų134.475%0.74778%0.777SS**  trans-129.3147.8143.536.4-26.8000113.2
354P42.3Very low40.7Very low117 Ų117134 Ų13476%0.7678%0.78SS**  trans-94.5176.7172.939.5-35.8000113
355E36.5Very low40.8Very low168 Ų168133.7 Ų133.779%0.78578%0.777SS**  trans48.2129.9162.9-71.7-163.285.800120.7
356Y42.6Very low40.7Very low241 Ų241137.7 Ų137.795%0.94578%0.783SS**  -152.8150.7128-110.2-73.7000110.2
357A36.3Very low40.4Very low84 Ų84138 Ų13869%0.69479%0.788SS**  trans-123.1175.7-167.600000114.2
358A39.6Very low40.6Very low86 Ų86136.6 Ų136.671%0.71179%0.791SS**  trans89.2101.7153.800000121.6
359R37.9Very low40.3Very low215 Ų215134.8 Ų134.881%0.81179%0.791SS**  71.5170.3126.8-71-163.988-162.34.6117.7
360P46.4Very low40.4Very low117 Ų117130.4 Ų130.476%0.7679%0.785SS**  cis-122.6177.37.842-27.1000117.3
361S41.4Very low40.6Very low85 Ų85131 Ų13159%0.59479%0.787SS**  trans-93169.4179.3-37.60000112.1
362P50.9Low40.5Very low113 Ų113129 Ų12973%0.73479%0.785SS**  -114.6149.3128.4-8.327.5000114.7
363H39.3Very low40.6Very low164 Ų164127 Ų12776%0.75979%0.785SS**  trans-51.6148171.437.4-96.3000116.1
364L41.1Very low40.2Very low156 Ų156127.9 Ų127.982%0.81779%0.788SS**  -160.8157.6102.8-102.5169.6000112.3
365V41.7Very low40.3Very low122 Ų122127.8 Ų127.874%0.73979%0.788SS**  trans-65.9154.5-174.4-67.60000112.1
366F41.6Very low40.4Very low198 Ų198126.2 Ų126.287%0.86879%0.785SS**  -153.3155.659.9-149.3-100.1000114.9
367S39.7Very low40.2Very low111 Ų111121.2 Ų121.278%0.77677%0.774SS**  trans-73.8157.4178.6-50.30000112.6
368G37.4Very low40.1Very low79 Ų79120.6 Ų120.681%0.81478%0.776SS**  cis157.7171.6-4.600000111.7
369G37.4Very low40.1Very low87 Ų87123.5 Ų123.590%0.89778%0.777SS**  trans100.7115.9166.100000116.8
370G35.3Very low40.1Very low74 Ų74122.1 Ų122.176%0.76378%0.777SS**  trans-115.7-142.2153.100000108.6
371P45.4Very low39.7Very low139 Ų139120.4 Ų120.490%0.90378%0.78SS**  cis-136.4169.3-25.639.5-24.5000113.7
372G32.3Very low39.5Very low71 Ų71122.6 Ų122.673%0.73279%0.79SS**  trans109.8170.5148.800000119.2
373S38.2Very low38.9Very low125 Ų125120.4 Ų120.487%0.87479%0.788SS**  trans74.685.1168.8-550000119.3
374T41.5Very low39.3Very low133 Ų133119.4 Ų119.482%0.81680%0.796SS**  trans-56.1151.4143.249.60000110.8
375P43.8Very low39.2Very low115 Ų115115.9 Ų115.975%0.74780%0.798SS**  -157.215870.942.6-22000119.9
376D38.9Very low38.8Very low136 Ų136116.1 Ų116.173%0.72780%0.803SS**  trans62152130.7-161.5-144.1000124.5
377N38Very low38.9Very low136 Ų136113 Ų11373%0.72781%0.806SS**  trans78.8145.1158.6-96.1-53.9000123.8
378G34.9Very low38.7Very low70 Ų70114.9 Ų114.972%0.72281%0.807SS**  trans90.3104.2165.100000116.6
379M39.5Very low38.8Very low148 Ų148116.4 Ų116.473%0.72981%0.806SS**  cis91138.218.6-157160.459.100116.4
380F36.8Very low38.9Very low186 Ų186116 Ų11682%0.81680%0.802SS**  trans84.5146.9179.6-58.4-74.1000118.9
381G38.1Very low39Very low80 Ų80120.6 Ų120.683%0.82581%0.808SS**  trans16353.3-17000000112.9
382T38.9Very low39Very low131 Ų131121.9 Ų121.980%0.80481%0.806SS**  trans-69.3154.3-176.944.40000114
383G36.7Very low39.1Very low68 Ų68126.1 Ų126.170%0.70181%0.812SS**  trans-70.7-163.716000000112.7
384P48.1Very low39Very low142 Ų142123.3 Ų123.392%0.92280%0.803SS**  cis-130.6-171.627.942.6-27.3000114.4
385G38.8Very low38.7Very low82 Ų82123 Ų12385%0.84581%0.806SS**  trans177.996.2169.500000113.2
386C33.1Very low38.5Very low128 Ų128124.1 Ų124.187%0.86581%0.811SS**  trans-105.9132.6173.454.90000111
387S43.7Very low38.8Very low133 Ų133120.4 Ų120.493%0.9380%0.804SS**  trans-137.1140.9163.6-71.40000108.8
388D36.2Very low39.3Very low149 Ų149119.6 Ų119.680%0.79781%0.807SS**  trans-110.4-177.1-172.1-174.9-96.3000111.2
389S39.2Very low39.6Very low112 Ų112122.1 Ų122.178%0.78381%0.81SS**  trans80.8107.9158.8-65.90000117.1
390G39.6Very low39.8Very low79 Ų79126.6 Ų126.681%0.81482%0.819SS**  trans-177.679.9174.400000112
391L37.5Very low40.1Very low169 Ų169123.4 Ų123.489%0.88582%0.82SS**  trans-68.7140.4177.3-63.4166.8000111.1
392L44.6Very low40.3Very low166 Ų166125.1 Ų125.187%0.86982%0.819SS**  171119.6121.9-90.5164000113.5
393N35.8Very low40.3Very low160 Ų160122.1 Ų122.186%0.85681%0.814SS**  trans14.6110.2146.7-16941.7000119.7
394G36.1Very low40.9Very low67 Ų67127.7 Ų127.769%0.69182%0.824SS**  trans-168.1119.7167.400000113.5V396G394-V396 PolarHBondContact O-N 3Å
395S35.2Very low41.5Very low126 Ų126129.2 Ų129.288%0.88182%0.821SS**  trans-75.3119.2-173.9-56.30000113.4
396V39.4Very low42.8Very low139 Ų139130.2 Ų130.284%0.84281%0.813SS**  trans-134.4120.9168.4-174.60000109.6G394G394-V396 PolarHBondContact O-N 3Å
397G43.9Very low44.6Very low57 Ų57129.6 Ų129.659%0.58881%0.807SS**PPolyproline II helixtrans-80.2163.717600000112.9
398P48.5Very low46.1Very low119 Ų119128.8 Ų128.877%0.77380%0.799SS**PPolyproline II helixtrans-64.9149.3-178.927.9-35.2000112.1R400P398-R400 PolarHBondContact O-N 2.9Å
399P42.7Very low47.8Very low123 Ų123125.7 Ų125.780%0.79979%0.787SS**PPolyproline II helixtrans-65.1134.6-18027.9-34.6000110.7S401P399-S401 PolarHBondContact O-N 3.15Å
400R42.6Very low49.3Very low243 Ų243125.3 Ų125.392%0.91778%0.782SS**  trans-77.8108.4174.7-61.7-178.5-178.9-154.7-1.6108.4P398 S402P398-R400 PolarHBondContact O-N 2.9Å; R400-S402 PolarHBondContact O-N 2.92Å
401S44.5Very low50.5Low119 Ų119129.1 Ų129.183%0.83278%0.784SS**  trans-55.9132170.9-63.50000110.2P399 G403P399-S401 PolarHBondContact O-N 3.15Å; S401-G403 VanDerWaalsContact C-N 3.3Å; S401-G403 PolarHBondContact O-N 3.46Å
402S40.6Very low51.1Low116 Ų116131 Ų13181%0.81178%0.78SS**  trans-67.585177.9-53.50000110.9R400 M404R400-S402 PolarHBondContact O-N 2.92Å; S402-M404 PolarHBondContact O-N 2.93Å
403G40.2Very low51Low68 Ų68128.7 Ų128.770%0.70178%0.778SS**  trans-62.4119.9169.300000109.5S401 M405S401-G403 VanDerWaalsContact C-N 3.3Å; S401-G403 PolarHBondContact O-N 3.46Å; G403-M405 PolarHBondContact O-N 3.09Å
404M47.8Very low51.5Low185 Ų185125 Ų12591%0.91177%0.765SS**  trans-64.1104.6173.7-67.3-65.5-177.100108.5S402S402-M404 PolarHBondContact O-N 2.93Å
405M61Low51.7Low173 Ų173125.3 Ų125.385%0.85277%0.768SS**PPolyproline II helixtrans-72.1130.3177.9-162.2156.866.900108.5G403G403-M405 PolarHBondContact O-N 3.09Å
406P67.2Low52.3Low104 Ų104126.7 Ų126.768%0.67576%0.762SS**PPolyproline II helixtrans-61.1146.5176.126.4-34.2000109.9
407P71.2Confident52.7Low115 Ų115125.3 Ų125.375%0.74776%0.756SS**PPolyproline II helixtrans-62.6144.3174.928.2-34.4000109.7
408P74.1Confident52.4Low115 Ų115128.5 Ų128.575%0.74777%0.77SS**PPolyproline II helixtrans-62148.6172.828.1-34.5000110.3
409P72.5Confident52.3Low85 Ų85128 Ų12855%0.55277%0.769SS**PPolyproline II helixtrans-60.9151.917028-34.6000110.1D411P409-D411 PolarHBondContact O-N 3.3Å
410P70.7Confident52.3Low104 Ų104128.7 Ų128.768%0.67577%0.771SS**PPolyproline II helixtrans-64.6130.1-179.126.9-34.2000110.9Y412P410-Y412 HydrophobicContact CG-CE2 4.34Å; P410-Y412 PolarHBondContact O-N 2.99Å
411D64.4Low52.3Low159 Ų159122.5 Ų122.585%0.8577%0.765SS**  trans-58.4104.3171-87.5-68.5000110.3P409 S413P409-D411 PolarHBondContact O-N 3.3Å; D411-S413 PolarHBondContact O-N 3Å
412Y49.5Very low52.1Low209 Ų209124 Ų12482%0.8276%0.764SS**  trans-70.780.5165.9-86.5-89.5000108.9P410 S414P410-Y412 HydrophobicContact CG-CE2 4.34Å; P410-Y412 PolarHBondContact O-N 2.99Å; Y412-S414 PolarHBondContact O-N 3.04Å; Y412-S414 PolarHBondContact O-OG 3.27Å
413S42.2Very low52.4Low116 Ų116124 Ų12481%0.81176%0.761SS**  trans-66.473.1178.2-1660000111D411 G415D411-S413 PolarHBondContact O-N 3Å; S413-G415 VanDerWaalsContact C-N 3.31Å; S413-G415 PolarHBondContact O-N 2.83Å
414S47Very low52.4Low84 Ų84131.2 Ų131.259%0.58777%0.768SS**  trans-74.585173.342.80000108.4Y412 M416Y412-S414 PolarHBondContact O-N 3.04Å; Y412-S414 PolarHBondContact O-OG 3.27Å; S414-M416 WeakPolarHBondContact O-CG 3.39Å; S414-M416 PolarHBondContact O-N 2.9Å
415G41.1Very low52.6Low73 Ų73128 Ų12875%0.75376%0.761SS**  trans-60.4101.7179.700000111.9S413S413-G415 VanDerWaalsContact C-N 3.31Å; S413-G415 PolarHBondContact O-N 2.83Å
416M46.5Very low51.9Low154 Ų154126 Ų12676%0.75976%0.761SS**  trans-94.2114.9174.8-55.5-170.4-164.100109.1S414 S418S414-M416 WeakPolarHBondContact O-CG 3.39Å; S414-M416 PolarHBondContact O-N 2.9Å; M416-S418 PolarHBondContact O-N 2.82Å
417P48.2Very low50.7Low110 Ų110124.2 Ų124.271%0.71476%0.762SS**  trans-73.8112.7-178.628.5-33.3000110.7S419P417-S419 PolarHBondContact O-N 3.33Å; P417-S419 PolarHBondContact O-OG 2.95Å
418S39Very low49.8Very low125 Ų125124.5 Ų124.587%0.87477%0.766SS**  trans-55.894177.2-57.50000112.1M416M416-S418 PolarHBondContact O-N 2.82Å
419S44.3Very low48.2Very low109 Ų109125.8 Ų125.876%0.76277%0.767SS**PPolyproline II helixtrans-92.3118.8175.6-61.20000109.2P417 S421P417-S419 PolarHBondContact O-N 3.33Å; P417-S419 PolarHBondContact O-OG 2.95Å; S419-S421 PolarHBondContact O-N 3.37Å
420T43.7Very low47.3Very low137 Ų137128.9 Ų128.984%0.8478%0.778SS**PPolyproline II helixtrans-54.8124.7-169.5-50.80000113.2
421S41.9Very low46.1Very low113 Ų113132.9 Ų132.979%0.7979%0.785SS**PPolyproline II helixtrans-68.5134.8170.548.80000111.1S419S419-S421 PolarHBondContact O-N 3.37Å
422N40.7Very low45.2Very low151 Ų151129.9 Ų129.981%0.80778%0.782SS**  trans-129.7140.4168.3-147.327.4000108.5
423P48.2Very low45Very low115 Ų115125.8 Ų125.875%0.74778%0.784SS**  trans-83.7149.1-158.3-14.731.8000115.7
424Y38.6Very low45.3Very low220 Ų220126 Ų12686%0.86378%0.783SS**  trans-67.3155.5162.5-76.7-90.4000112
425P53.2Low45.4Very low117 Ų117129.6 Ų129.676%0.7679%0.794SS**  -113.9162.4122.8-10.629.5000113.6
426P45.2Very low45.8Very low132 Ų132135.2 Ų135.286%0.85780%0.801SS**  trans-103169.1-164.339.8-36.5000115.3
427G43.3Very low45.6Very low66 Ų66131.4 Ų131.468%0.6880%0.801SS**  trans-161.2133.5169.900000114.4
428S52.1Low45.3Very low120 Ų120129.9 Ų129.984%0.83981%0.805SS**  trans4695.5163.355.90000119.4
429D40.5Very low45.6Very low143 Ų143130.6 Ų130.677%0.76581%0.807SS**  trans-62.1140.5135.9-173.8-62.9000108.9
430L52.3Low45.6Very low149 Ų149128.7 Ų128.778%0.7881%0.805SS**  trans-179.1106.8140.1-100170.4000112.8
431K46Very low45.9Very low189 Ų189131.4 Ų131.482%0.82281%0.81SS**  63.9141.3129-171.3176.1179.5177.10121.6
432A46.8Very low46Very low96 Ų96129.7 Ų129.779%0.79381%0.81SS**  trans113.8112.1158.200000117.1
433S45.1Very low46Very low122 Ų122128.1 Ų128.185%0.85381%0.81SS**  trans-74.2173.6-176.1-46.30000115
434P48.1Very low45.6Very low122 Ų122129.8 Ų129.879%0.79281%0.812SS**  trans-104.1165.5-159.740.2-36000116
435L48.1Very low45.9Very low158 Ų158128.1 Ų128.183%0.82782%0.815SS**  trans-149.5140.6164.8-79179.7000112.4
436H50.1Low45.7Very low192 Ų192129 Ų12989%0.88982%0.818SS**  trans59.2145.7165.6-78.964.3000118.5
437G41.3Very low45.5Very low74 Ų74128.3 Ų128.376%0.76382%0.815SS**  cis156.3146.7-9.200000113.3
438G42.3Very low46Very low78 Ų78130.7 Ų130.780%0.80482%0.819SS**  trans96.9128.6169.600000116.1
439P46.8Very low45.6Very low139 Ų139130 Ų13090%0.90382%0.82SS**  trans-92160174.937-34.3000112.8
440G42.9Very low45.7Very low70 Ų70127.3 Ų127.372%0.72283%0.827SS**  trans-142.1128.1176.100000112.7
441M51.4Low45.5Very low194 Ų194123.8 Ų123.896%0.95683%0.826SS**  trans-62.7145.4172.350.9-93.1160.500112.8
442G43.8Very low46.1Very low76 Ų76120.4 Ų120.478%0.78482%0.824SS**  trans-166.4113.5173.400000111.1
443C40.9Very low47Very low119 Ų119121.4 Ų121.480%0.80482%0.822SS**  trans-83.2167.6-175.553.30000113.9
444D38.4Very low48Very low149 Ų149121.8 Ų121.880%0.79782%0.822SS**  trans-18.1137.7169.7-51.7-105.6000118.2
445M45.1Very low48Very low186 Ų186124.1 Ų124.192%0.91683%0.826SS**  -177.7161.3110.8-97.8-164.3-161.200113.7
446V48.3Very low48.1Very low136 Ų136124.4 Ų124.482%0.82483%0.826SS**  trans97.8118.8160.799.20000119.3
447S41.6Very low48.5Very low116 Ų116121.5 Ų121.581%0.81182%0.824SS**  trans-127.8143.7160.8-57.90000108.7
448P53.3Low48.5Very low116 Ų116123.1 Ų123.175%0.75382%0.824SS**  trans-128.3130132.833.7-23.9000109.8
449A45.3Very low49Very low105 Ų105126.6 Ų126.687%0.86882%0.823SS**  72.1110.857.300000113.8
450G42.2Very low48.8Very low88 Ų88130.6 Ų130.691%0.90782%0.822SS**  trans140.2117.316300000115.8
451G47.3Very low48.9Very low74 Ų74132.3 Ų132.376%0.76382%0.821SS**  trans129.694.7161.700000117
452P60Low48.4Very low119 Ų119128.8 Ų128.877%0.77382%0.815SS**PPolyproline II helixtrans-82152.6162.134.5-33000111.5
453P65.2Low48.1Very low117 Ų117128.5 Ų128.576%0.7681%0.812SS**PPolyproline II helixtrans-71.2147.8173.430.3-34.5000111.8
454P66.6Low48.2Very low129 Ų129130.9 Ų130.984%0.83882%0.817SS**PPolyproline II helixtrans-73154.1-179.530.5-35.4000112.9
455L48.2Very low48.1Very low171 Ų171127 Ų12790%0.89581%0.812SS**PPolyproline II helixtrans-80.9149.3-178.6-63.7171.1000112.5
456M49.9Very low48.1Very low165 Ų165124.5 Ų124.581%0.81381%0.81SS**PPolyproline II helixtrans-75.1142.8173.752.1176.460.100112.5
457P56.9Low47.7Very low131 Ų131122 Ų12285%0.85181%0.812SS**PPolyproline II helixtrans-81.6124.4159.4-6.825.1000110.1
458S42.8Very low47.6Very low108 Ų108119.9 Ų119.976%0.75581%0.808SS**PPolyproline II helixtrans-82.5137.6167.7-56.90000110.2
459D52Low47Very low150 Ų150122.5 Ų122.580%0.80282%0.816SS**  trans-145.2117.9154.1-135.4-37.6000112.3
460Y42.1Very low46.9Very low224 Ų224120.8 Ų120.888%0.87881%0.808SS**  trans-161.9129.8172.8-104.1-69.9000104.2
461P46.3Very low47.3Very low106 Ų106123.1 Ų123.169%0.68881%0.807SS**  -149.7151.410736.2-19.8000116.4
462S41Very low47.1Very low120 Ų120123 Ų12384%0.83981%0.806SS**  trans35.2124.9135.7-52.20000122.1
463G37.3Very low46.3Very low69 Ų69126.3 Ų126.371%0.71181%0.811SS**  137.9141.7119.100000118.7
464N42.6Very low45.2Very low169 Ų169125 Ų12590%0.90480%0.804SS**  trans61.4118.7155.9-64.2-0.6000120.4
465G36.4Very low44Very low69 Ų69124.2 Ų124.271%0.71180%0.802SS**  trans-79.8-166.3140.500000111.1
466P45.9Very low43.8Very low132 Ų132121.7 Ų121.786%0.85780%0.799SS**  cis-140.5169.223.242.2-25.2000117.2
467G40.1Very low43.6Very low85 Ų85117.4 Ų117.488%0.87680%0.797SS**  trans74.3146.8137.500000122.1
468G38.9Very low42.6Very low70 Ų70121 Ų12172%0.72280%0.8SS**  trans126.197.914200000120.4
469N40.7Very low43Very low171 Ų171121.8 Ų121.891%0.91480%0.802SS**  trans72.3148.4142.9-58.1-21.3000122.6
470G42.1Very low42.5Very low69 Ų69118.2 Ų118.271%0.71180%0.801SS**  trans-91.2-143.6169.700000113
471P52.1Low42.5Very low137 Ų137115.4 Ų115.489%0.8980%0.801SS**  -154.5-173.750.243.5-23000118.2
472G41.8Very low42.1Very low71 Ų71115.5 Ų115.573%0.73281%0.805SS**  trans101.2153.9156.700000116.6
473Q44.5Very low42.5Very low190 Ų190116.5 Ų116.589%0.88881%0.805SS**  cis-166.4165-5.7-96.6-167.1111.100107.2
474S40.6Very low42.5Very low88 Ų88122.3 Ų122.362%0.61582%0.816SS**  cis-174164-10.249.90000109.9
475S42Very low42.6Very low114 Ų114123 Ų12380%0.79782%0.816SS**  trans72.6145.2164.1-58.30000118.4
476S43.3Very low43.1Very low118 Ų118128 Ų12883%0.82582%0.823SS**  cis-170.5144.7-10.147.90000112.6
477G45.5Very low43.4Very low75 Ų75127 Ų12777%0.77382%0.817SS**  trans140.8121.1156.700000117.4
478F37.3Very low44.2Very low207 Ų207128.9 Ų128.991%0.90881%0.813SS**  trans-122.9175170.7-72.1-89.6000109.2
479P50.1Low44.4Very low123 Ų123131 Ų13180%0.79982%0.815SS**  cis-121.5-170.4-5.535.9-16.3000112.1
480G41.3Very low44.3Very low76 Ų76131.7 Ų131.778%0.78481%0.812SS**  cis116.492.9-800000115.4
481D42.6Very low44.5Very low165 Ų165137.6 Ų137.688%0.88282%0.821SS**  trans-145.6161.7171.9-147.5-25.1000112
482S38.4Very low43.7Very low108 Ų108140.5 Ų140.576%0.75582%0.823SS**  trans-129.1127.4-164.2-63.60000115.4
483V48.4Very low43.7Very low140 Ų140143 Ų14385%0.84883%0.829SS**  trans-140.6126.8160.6-78.80000111.6
484M37.7Very low43.6Very low191 Ų191140.3 Ų140.394%0.94183%0.826SS**  trans-93.8139.6163.9-66.7-156.1-68.500109.4
485M45.9Very low43.7Very low185 Ų185143.5 Ų143.591%0.91184%0.835SS**  trans-133.4135.2166.5-79.1-161.4169.200112.3
486M45.1Very low43.6Very low173 Ų173144.1 Ų144.185%0.85283%0.825SS**PPolyproline II helixtrans-86.2144.4-179-16579.774.700110.2
487P53.4Low43.4Very low112 Ų112145.8 Ų145.873%0.72782%0.82SS**PPolyproline II helixtrans-69.8137.6170.728.5-34.5000111.8
488P56.1Low43.3Very low123 Ų123149.9 Ų149.980%0.79982%0.818SS**PPolyproline II helixtrans-86.4156-18034.2-35.4000113.4
489P43.5Very low43.6Very low116 Ų116148.7 Ų148.775%0.75382%0.818SS**  trans-109.8166.7-173.341.5-35.8000115.8
490Q39.7Very low43.2Very low185 Ų185146.9 Ų146.986%0.86482%0.822SS**  trans61.3129.3160.2-69.7-173.8-1.600120.5
491Q44.8Very low43.1Very low193 Ų193147.5 Ų147.590%0.90283%0.828SS**  -162.1142.9107.2-102.91711900111
492Q35.4Very low43.3Very low198 Ų198143.1 Ų143.193%0.92582%0.822SS**  trans-111.4146.3169.3-76.7-177.8-63.700109.4
493S42.7Very low44Very low124 Ų124144.5 Ų144.587%0.86783%0.829SS**  trans-137.1135.4161.1-90.30000111.7
494V42Very low43.7Very low133 Ų133147.4 Ų147.481%0.80683%0.833SS**  trans-69.3178.6-166.9-155.50000113.8
495L41.9Very low44.3Very low155 Ų155142.1 Ų142.181%0.81283%0.828SS**  trans94.9131.8149.8-142.772.5000115.8
496Q40.5Very low44.4Very low126 Ų126142.9 Ų142.959%0.58983%0.829SS**  cis-162155-23.1-173.681.22300107.9
497Q39.7Very low44.6Very low154 Ų154139 Ų13972%0.7282%0.824SS**  trans-8.8149.5162.3-58.5159.2-11.200118.5
498H43.7Very low45.1Very low160 Ų160139.2 Ų139.274%0.74183%0.826SS**  -176.9160.86557.751.3000117.6
499M42.1Very low45.5Very low182 Ų182138.9 Ų138.990%0.89782%0.823SS**  trans62.7139.5154.2-61-146.5-7100122.7
500G41.8Very low46.5Very low86 Ų86138.7 Ų138.789%0.88782%0.822SS**  trans124.5119.8155.400000115.1
501G40.4Very low47.6Very low88 Ų88136 Ų13691%0.90782%0.821SS**  trans-144.4163.9179.100000114.2
502G46Very low48Very low74 Ų74135.6 Ų135.676%0.76382%0.819SS**  trans-165151.4178.200000112
503P53.9Low48.8Very low137 Ų137136.8 Ų136.889%0.8982%0.817SS**  trans-101178-159.139.2-37.1000116.4
504Q41.8Very low49.8Very low200 Ų200136.3 Ų136.394%0.93581%0.808SS**  trans-68.8147.8-173.1-63.6169-34.400114.8
505G50Low50.5Low81 Ų81135.6 Ų135.684%0.83581%0.806SS**  trans-105.3137.3166.300000112
506Q47.8Very low51.1Low200 Ų200134 Ų13494%0.93581%0.808SS**PPolyproline II helixtrans-99143-172.2-152.9169.222.400111.7
507A50Low51.2Low91 Ų91132 Ų13275%0.75282%0.822SS**PPolyproline II helixtrans-88.9141.6-176.400000112.8
508P62.4Low51.5Low118 Ų118128 Ų12877%0.76682%0.821SS**PPolyproline II helixtrans-84.3151.9-178.533.6-35.7000113.6
509P66.1Low51.5Low115 Ų115129.3 Ų129.375%0.74783%0.828SS**PPolyproline II helixtrans-78.6159.4172.933.6-35.6000112.7
510P64.6Low51.6Low113 Ų113129.6 Ų129.673%0.73483%0.827SS**PPolyproline II helixtrans-75.5150.817731.9-35.5000112.7
511P62.3Low51.8Low129 Ų129130.8 Ų130.884%0.83882%0.821SS**PPolyproline II helixtrans-76138.5-17830.6-35000113.1
512Q52.1Low51.9Low184 Ų184129.9 Ų129.986%0.8681%0.812SS**PPolyproline II helixtrans-78.3140.5165.4-74.7-72.8-27.300110.2
513Y54Low51.9Low223 Ų223132.8 Ų132.888%0.87582%0.821SS**  trans-109.8119.8178.9-149.1-87000110.1
514V63.7Low51.3Low113 Ų113130.3 Ų130.369%0.68582%0.82SS**  trans-101.1126.1-175.6-177.10000109.9S516V514-S516 PolarHBondContact O-N 3.29Å
515P56Low51.3Low118 Ų118124.9 Ų124.977%0.76682%0.817SS**  trans-82.710517831.6-32.5000111.5G517P515-G517 PolarHBondContact O-N 3.38Å
516S53.9Low50.9Low123 Ų123124.3 Ų124.386%0.8681%0.812SS**  trans-71.5106.2174-62.60000111.9V514V514-S516 PolarHBondContact O-N 3.29Å
517G42.1Very low51.1Low84 Ų84120.7 Ų120.787%0.86681%0.806SS**  trans-84.8126.6165.800000111.1P515P515-G517 PolarHBondContact O-N 3.38Å
518G46.1Very low51.3Low69 Ų69122.1 Ų122.171%0.71181%0.807SS**  trans-158.786.9-174.300000114.5
519Q43.9Very low50.5Low187 Ų187121.6 Ų121.687%0.87481%0.806SS**  trans42.9128.9145-52.6175.315.200119.7
520H45.7Very low49.4Very low189 Ų189121.1 Ų121.188%0.87581%0.806SS**  -160138.9123.8-122.4-111.1000113.5
521S46.1Very low48.4Very low111 Ų111124.2 Ų124.278%0.77681%0.812SS**  trans-47.1145.5-173.6-48.10000120.2
522G41.9Very low47.4Very low69 Ų69126.4 Ų126.471%0.71181%0.811SS**  117.9135110.500000119.5
523S44.9Very low46.9Very low135 Ų135123 Ų12394%0.94481%0.808SS**  trans68.2144.1164.9-51.40000117.6
524G41.8Very low46.3Very low84 Ų84118.5 Ų118.587%0.86680%0.804SS**  cis143.297.6-7.900000113.3
525G41.6Very low45.2Very low86 Ų86119 Ų11989%0.88781%0.811SS**  trans153.8134.9174.200000113.3
526G42.1Very low44.4Very low70 Ų70117 Ų11772%0.72281%0.812SS**  trans-120.9165.2179.400000113.2
527P52Low43.6Very low124 Ų124114.9 Ų114.981%0.80581%0.809SS**  trans-108.6159.2-167.840-34.1000115.3
528P55.1Low43.6Very low120 Ų120117 Ų11778%0.77981%0.81SS**  trans-116.9166.2145.137-27.8000110.8
529S43.8Very low43.3Very low107 Ų107119.8 Ų119.875%0.74881%0.809SS**  cis154.6136.7-23.2-92.20000107.3
530S42.9Very low43.7Very low105 Ų105116.8 Ų116.873%0.73481%0.806SS**  trans67.9122.9163.7730000121.1
531M44.2Very low43.3Very low178 Ų178111.8 Ų111.888%0.87779%0.792SS**  170.1100.5124.6-89.6-168.1-173.100107.2
532Q41.6Very low43.5Very low175 Ų175112.3 Ų112.382%0.81879%0.793SS**  86.511367.6-80.3-157.960.600115.4
533S40.9Very low43.4Very low114 Ų114114 Ų11480%0.79780%0.8SS**  trans68.3159.2159.1-125.80000116.9
534V42.5Very low43.2Very low128 Ų128111.2 Ų111.278%0.77679%0.793SS**  cis-137.716516.9-173.70000111.8
535C39.3Very low43.2Very low124 Ų124110.5 Ų110.584%0.83879%0.785SS**  trans-42.2165.2174.7-47.50000118
536G39.7Very low43.7Very low76 Ų76112.7 Ų112.778%0.78478%0.784SS**  cis158.8170.7-3.800000114
537G37.5Very low43.8Very low77 Ų77112.9 Ų112.979%0.79479%0.786SS**  trans86.7146.2177.800000115
538S43.1Very low43.5Very low129 Ų129112.4 Ų112.490%0.90279%0.786SS**  cis-151.1148.8-7.1-72.10000110.2
539N38.6Very low43.1Very low127 Ų127112.1 Ų112.168%0.67978%0.781SS**  trans-92.9158.2179.9-161.66.7000110.7S541N539-S541 PolarHBondContact ND2-OG 2.94Å; N539-S541 VanDerWaalsContact ND2-OG 3.08Å; N539-S541 PolarHBondContact OD1-N 3.47Å; N539-S541 PolarHBondContact OD1-OG 3.01Å
540P52.1Low43.1Very low124 Ų124115.5 Ų115.581%0.80579%0.785SS**  -141.1148.2104.538.1-26000114.7
541S38.3Very low43.5Very low85 Ų85115.5 Ų115.559%0.59477%0.772SS**  trans-100.2159175.3-47.40000111.5N539N539-S541 PolarHBondContact ND2-OG 2.94Å; N539-S541 VanDerWaalsContact ND2-OG 3.08Å; N539-S541 PolarHBondContact OD1-N 3.47Å; N539-S541 PolarHBondContact OD1-OG 3.01Å
542P49.3Very low43.8Very low121 Ų121112.5 Ų112.579%0.78677%0.766SS**  -117.7137.2112.133.5-32.6000110.3
543A39.8Very low43.9Very low104 Ų104112.9 Ų112.986%0.8677%0.768SS**  67.967.655.400000112.6
544G41Very low43.8Very low78 Ų78115.5 Ų115.580%0.80477%0.768SS**  trans-135.7125.9165.200000109.5
545G41.8Very low43.8Very low68 Ų68120.6 Ų120.670%0.70178%0.775SS**  trans-80.7172.5175.900000112.4G547G545-G547 PolarHBondContact O-N 2.72Å
546P52.2Low43.8Very low132 Ų132119.2 Ų119.286%0.85777%0.767SS**  trans-61122.5173.326.7-33.6000109.9S548P546-S548 PolarHBondContact O-N 3.28Å; P546-S548 VanDerWaalsContact O-N 3.15Å
547G43.4Very low44Very low75 Ų75124.6 Ų124.677%0.77377%0.769SS**  trans-65.3111.1-177.200000111.9G545 V549G545-G547 PolarHBondContact O-N 2.72Å; G547-V549 PolarHBondContact O-N 2.83Å
548S46.9Very low44.3Very low113 Ų113125.7 Ų125.779%0.7976%0.764SS**  trans-69.2112162.7-65.60000108.2P546 Q550P546-S548 PolarHBondContact O-N 3.28Å; P546-S548 VanDerWaalsContact O-N 3.15Å; S548-Q550 VanDerWaalsContact C-N 3.28Å; S548-Q550 PolarHBondContact O-N 3.21Å
549V45.6Very low44.3Very low114 Ų114128.6 Ų128.669%0.69176%0.764SS**  trans-68.388.3177.3-176.30000109.1G547 F551G547-V549 PolarHBondContact O-N 2.83Å; V549-F551 HydrophobicContact CG1-CE2 4.44Å; V549-F551 PolarHBondContact O-N 3.32Å
550Q44.7Very low44.5Very low178 Ų178131.3 Ų131.383%0.83277%0.774SS**  trans-75.490.7-179.2-175.2173.6-8.300109.2S548S548-Q550 VanDerWaalsContact C-N 3.28Å; S548-Q550 PolarHBondContact O-N 3.21Å
551F50.9Low44Very low105 Ų105134.5 Ų134.546%0.46180%0.799SS.*  trans-52.1134.5167.7-84.5-87.1000110.4V549 Q553V549-F551 HydrophobicContact CG1-CE2 4.44Å; V549-F551 PolarHBondContact O-N 3.32Å; F551-Q553 PolarHBondContact O-N 3.47Å
552P51.8Low44.2Very low116 Ų116137 Ų13775%0.75381%0.81SS**  trans-61.2104167.5-22.734.2000110.4
553Q42.1Very low44Very low182 Ų182137.8 Ų137.885%0.8581%0.811SS**  trans-63.3157.9145.1-68.7-173.8-12.700108F551F551-Q553 PolarHBondContact O-N 3.47Å
554E39.6Very low44.2Very low170 Ų170139.7 Ų139.779%0.79481%0.808SS**  trans80.159.4-165-55.5-6297.400116.2
555Y41.7Very low44.4Very low234 Ų234143.3 Ų143.392%0.91881%0.808SS**  trans-123.787.8142-114.6-88.3000109.8F557Y555-F557 PolarHBondContact O-N 3.02Å
556S40.6Very low44.6Very low96 Ų96148 Ų14867%0.67182%0.815SS**  trans-72.6111.9-178-171.20000111S558S556-S558 PolarHBondContact O-N 3.34Å
557F43.5Very low44Very low189 Ų189149.1 Ų149.183%0.82981%0.812SS**  trans-73.988.5-178.2-164-86.3000110.4Y555Y555-F557 PolarHBondContact O-N 3.02Å
558S43Very low44.1Very low99 Ų99154.4 Ų154.469%0.69282%0.815SS**  trans-154.350.4-177.6-77.20000113.9S556S556-S558 PolarHBondContact O-N 3.34Å
559Q42.6Very low43.9Very low191 Ų191157.5 Ų157.589%0.89382%0.817SS**  trans-156.177.9157.1-89.7-132.380.400111.3
560M43.6Very low43.7Very low183 Ų183161.2 Ų161.290%0.90183%0.828SS**  trans-167.1117.6153.3-105.3155.5-17000108.8
561S40.8Very low43.6Very low191 Ų191159.6 Ų159.6100%1.33683%0.827SS**  trans-143.30173.6178.10000108.7

Retrieved 561 of 561 residues in 588.6 ms (Link to these results)