A0A087YJ57_POEFO Loading...

Single stranded DNA binding protein 3b

AlphaFold DB , UniProt , Accession A0A087YJ57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low55.3Low238 Ų238143.1 Ų143.1100%1.17281%0.811SS**  0107.90-80.2140.874.200107.9
2F39.6Very low57.9Low204 Ų204135.8 Ų135.890%0.89578%0.776SS**  trans-86.3135.4173.8-67.3-80.8000109.1K4F2-K4 PolarHBondContact O-N 2.94Å
3P48.2Very low60.3Low124 Ų124135.2 Ų135.281%0.80577%0.769SS**  trans-65.6118.7178.525.9-31.1000109.1G5P3-G5 PolarHBondContact O-N 3.36Å; P3-G5 VanDerWaalsContact O-N 3.14Å
4K45.6Very low62.3Low205 Ų205130.5 Ų130.589%0.89175%0.749SS**  trans-57.7114.1175.7-163.9164-180172.10108.1F2 K6F2-K4 PolarHBondContact O-N 2.94Å; K4-K6 PolarHBondContact O-N 2.81Å
5G50.6Low64Low67 Ų67128.9 Ų128.969%0.69173%0.732SS**  trans-52127.7-179.600000110.4P3 G7P3-G5 PolarHBondContact O-N 3.36Å; P3-G5 VanDerWaalsContact O-N 3.14Å; G5-G7 PolarHBondContact O-N 3.49Å
6K49.8Very low65.6Low208 Ų208123.9 Ų123.990%0.90471%0.712SS**  trans-60.9105.1169.4-68.7176.5179.2177.20106.4K4 T8K4-K6 PolarHBondContact O-N 2.81Å; K6-T8 PolarHBondContact O-N 2.82Å
7G50.7Low67.1Low63 Ų63127.6 Ų127.665%0.64971%0.711SS**PPolyproline II helixtrans-52.3130.9169.700000108G5 P9G5-G7 PolarHBondContact O-N 3.49Å; G7-P9 WeakPolarHBondContact O-CD 3.23Å; G7-P9 VanDerWaalsContact O-N 3.1Å
8T58.3Low68.4Low131 Ų131124.4 Ų124.480%0.80469%0.69SS**PPolyproline II helixtrans-55.3118.2172.646.80000107.3K6 V10K6-T8 PolarHBondContact O-N 2.82Å; T8-V10 PolarHBondContact O-N 3.42Å
9P71.9Confident69.6Low120 Ų120124.1 Ų124.178%0.77968%0.681SS**PPolyproline II helixtrans-60.7129.6-179.524-31.5000108.4G7G7-P9 WeakPolarHBondContact O-CD 3.23Å; G7-P9 VanDerWaalsContact O-N 3.1Å
10V75.3Confident70.8Confident131 Ų131122.6 Ų122.679%0.79467%0.671SS**PPolyproline II helixtrans-59.8127.3171.8179.20000107T8 S12T8-V10 PolarHBondContact O-N 3.42Å; V10-S12 PolarHBondContact O-N 3.02Å
11P77.4Confident71.9Confident83 Ų83117.5 Ų117.554%0.53965%0.645SS.*PPolyproline II helixtrans-61.2134.2178.924.5-32.2000109.2
12S87.1Confident74.4Confident56 Ų56107.8 Ų107.839%0.39260%0.598SS.*PPolyproline II helixtrans-71.5155174.466.90000110.5V10 S14 Q15 A16V10-S12 PolarHBondContact O-N 3.02Å; S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.09Å; S12-Q15 WeakPolarHBondContact O-CA 3.33Å; S12-Q15 WeakPolarHBondContact O-CB 3.42Å; S12-Q15 PolarHBondContact O-N 3.48Å; S12-Q15 WeakPolarHBondContact OG-CG 3.33Å; S12-Q15 PolarHBondContact OG-N 3.28Å; S12-A16 PolarHBondContact O-N 3.28Å
13D89Confident77Confident127 Ų127101.1 Ų101.168%0.67957%0.567SS**Hα-helixtrans-54.5-32.7176.8-70.3-29.4000112.5A16 R17D13-A16 PolarHBondContact O-N 3.49Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å
14S87.4Confident79.2Confident70 Ų7097.1 Ų97.149%0.4954%0.541SS..Hα-helixtrans-63.1-47.3174.4-170.70000111.7S12 A16 R17 E18S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.09Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.93Å; S14-R17 PolarHBondContact O-N 3.15Å; S14-E18 WeakPolarHBondContact O-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.39Å
15Q88.7Confident81.5Confident107 Ų10788.9 Ų88.950%0.550%0.504SS..Hα-helixtrans-63.6-38.6176.8-69173.56.900111.9S12 E18 K19S12-Q15 WeakPolarHBondContact O-CA 3.33Å; S12-Q15 WeakPolarHBondContact O-CB 3.42Å; S12-Q15 PolarHBondContact O-N 3.48Å; S12-Q15 WeakPolarHBondContact OG-CG 3.33Å; S12-Q15 PolarHBondContact OG-N 3.28Å; Q15-E18 PolarHBondContact O-N 3.16Å; Q15-K19 WeakPolarHBondContact O-CB 3.39Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.95Å
16A90Very high83.5Confident49 Ų4986.6 Ų86.641%0.40548%0.475SS..Hα-helixtrans-64.1-44.3176.300000111.6S12 D13 S14 K19 L20S12-A16 PolarHBondContact O-N 3.28Å; D13-A16 PolarHBondContact O-N 3.49Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.93Å; A16-K19 PolarHBondContact O-N 3.42Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.06Å
17R90.1Very high85.6Confident187 Ų18780.6 Ų80.671%0.70645%0.448SS*.Hα-helixtrans-61.8-43176.1-73.7170.5-174.8-160.31.9112.2D13 S14 L20 A21D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å; S14-R17 PolarHBondContact O-N 3.15Å; R17-L20 PolarHBondContact O-N 3.41Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.12Å
18E91.2Very high87.7Confident70 Ų7079 Ų7933%0.32742%0.424SS..Hα-helixtrans-63.1-44.5176.6-71.9-180174.800112.2S14 Q15 A21 L22 W46 K48S14-E18 WeakPolarHBondContact O-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.39Å; Q15-E18 PolarHBondContact O-N 3.16Å; E18-A21 PolarHBondContact O-N 3.16Å; E18-L22 PolarHBondContact O-N 2.98Å; E18-L22 VanDerWaalsContact O-N 3.11Å; E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.4Å; E18-W46 WeakPolarHBondContact O-CH2 3.37Å; E18-K48 IonicContact OE1-NZ 2.65Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 2.68Å; E18-K48 PolarHBondContact OE2-NZ 3.24Å
19K91.3Very high89.3Confident118 Ų11873.7 Ų73.751%0.51339%0.391SS..Hα-helixtrans-64.4-42176.2-75.2-68.8-1741790111.9Q15 A16 L22 Y23Q15-K19 WeakPolarHBondContact O-CB 3.39Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.95Å; A16-K19 PolarHBondContact O-N 3.42Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.29Å; K19-Y23 HydrophobicContact CB-CE2 4.18Å; K19-Y23 WeakPolarHBondContact O-CD2 3.41Å; K19-Y23 PolarHBondContact O-N 3.17Å
20L93.3Very high90.2Very high94 Ų9471 Ų7149%0.49237%0.367SS..Hα-helixtrans-61.6-45.5176.4-179.162.2000111.4A16 R17 L22 Y23 V24 L59A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.06Å; R17-L20 PolarHBondContact O-N 3.41Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.27Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-V24 HydrophobicContact CD1-CG2 4.23Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.96Å; L20-L59 HydrophobicContact CD1-CD1 4.4Å
21A94.3Very high91Very high15 Ų1569.1 Ų69.112%0.12435%0.352CS..Hα-helixtrans-58.3-42.7176.800000111.9R17 E18 Y23 V24 Y25 F40 I44 W46R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.12Å; E18-A21 PolarHBondContact O-N 3.16Å; A21-Y23 PolarHBondContact O-N 3.27Å; A21-V24 PolarHBondContact O-N 3.43Å; A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.27Å; A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.09Å; A21-F40 WeakPolarHBondContact O-CE1 3.32Å; A21-I44 HydrophobicContact CB-CD1 3.95Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å
22L93.7Very high91.7Very high34 Ų3467.7 Ų67.718%0.17835%0.353CS..Hα-helixtrans-56.6-48.8173.2-103.9160.7000112.4E18 K19 L20 Y25 E26 W46 I50E18-L22 PolarHBondContact O-N 2.98Å; E18-L22 VanDerWaalsContact O-N 3.11Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.29Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 3.43Å; L22-E26 PolarHBondContact O-N 3.31Å; L22-W46 HydrophobicContact CD1-CH2 4.01Å; L22-W46 HydrophobicContact CD1-CZ2 3.76Å; L22-W46 HydrophobicContact CD2-CZ2 4.38Å; L22-W46 HydrophobicContact CG-CH2 3.93Å; L22-W46 HydrophobicContact CG-CZ2 3.61Å; L22-I50 HydrophobicContact CD2-CB 4.45Å; L22-I50 HydrophobicContact CD2-CG1 4.39Å; L22-I50 HydrophobicContact CD2-CG2 3.86Å
23Y93.2Very high92.1Very high65 Ų6566.3 Ų66.326%0.25535%0.345SS..Hα-helixtrans-71.7-30.2-178.4-56.6-47.1000113.2K19 L20 A21 Y27 F58K19-Y23 HydrophobicContact CB-CE2 4.18Å; K19-Y23 WeakPolarHBondContact O-CD2 3.41Å; K19-Y23 PolarHBondContact O-N 3.17Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; A21-Y23 PolarHBondContact O-N 3.27Å; Y23-Y27 VanDerWaalsContact O-CB 3.31Å; Y23-Y27 WeakPolarHBondContact O-CB 3.31Å; Y23-Y27 PolarHBondContact O-N 3.3Å; Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.5Å; Y23-F58 HydrophobicContact CD2-CD1 3.5Å; Y23-F58 AromaticContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CE1-CB 3.8Å; Y23-F58 AromaticContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.81Å; Y23-F58 HydrophobicContact CE1-CG 3.81Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.27Å; Y23-F58 HydrophobicContact CE2-CZ 4.38Å; Y23-F58 HydrophobicContact CG-CB 4.36Å; Y23-F58 AromaticContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CG 4.41Å; Y23-F58 AromaticContact CZ-CD1 3.51Å; Y23-F58 AromaticContact CZ-CE1 3.82Å; Y23-F58 AromaticContact CZ-CG 3.91Å
24V94.4Very high92.3Very high40 Ų4065.1 Ų65.124%0.24234%0.335CS..Hα-helixtrans-66.3-43.7171.71700000110.4L20 A21 Y27 L28 F40 L59L20-V24 HydrophobicContact CD1-CG2 4.23Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.96Å; A21-V24 PolarHBondContact O-N 3.43Å; V24-Y27 PolarHBondContact O-N 3.48Å; V24-L28 HydrophobicContact CG1-CD1 4.18Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 3.4Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å
25Y93.9Very high92.7Very high32 Ų3270.4 Ų70.413%0.12535%0.349CS..Hα-helixtrans-61-47.5175173.7-101.8000111.9A21 L22 Y27 L28 L29 A37 L41 I50 L52A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 3.43Å; Y25-Y27 VanDerWaalsContact C-N 3.32Å; Y25-Y27 PolarHBondContact O-N 3.39Å; Y25-L28 PolarHBondContact O-N 3.24Å; Y25-L29 HydrophobicContact CD1-CD1 4.03Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.12Å; Y25-L29 HydrophobicContact CE2-CD1 4.27Å; Y25-L29 HydrophobicContact CE2-CD2 4.38Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 WeakPolarHBondContact O-CG 3.31Å; Y25-L29 PolarHBondContact O-N 3.27Å; Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.48Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.45Å; Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 3.81Å; Y25-I50 HydrophobicContact CD1-CG2 3.79Å; Y25-I50 HydrophobicContact CE1-CB 4.44Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.68Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; Y25-L52 HydrophobicContact CD1-CD2 4.19Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å
26E93.4Very high93.1Very high18 Ų1868.5 Ų68.58%0.08435%0.348CS..Hα-helixtrans-55.7-47.6174.9178.4-179.2-142.200111.3L22 L28 L29 H30 L52 G53 F58L22-E26 PolarHBondContact O-N 3.31Å; E26-L28 PolarHBondContact O-N 2.89Å; E26-L29 WeakPolarHBondContact O-CB 3.21Å; E26-L29 PolarHBondContact O-N 3.44Å; E26-H30 WeakPolarHBondContact CG-CE1 3.09Å; E26-H30 PolarHBondContact O-N 3.14Å; E26-H30 IonicContact OE1-CE1 3.49Å; E26-H30 PolarHBondContact OE1-CE1 3.42Å; E26-L52 HydrophobicContact CB-CD2 4.39Å; E26-G53 VanDerWaalsContact OE1-CA 3.23Å; E26-G53 WeakPolarHBondContact OE1-CA 3.4Å; E26-G53 PolarHBondContact OE1-N 2.96Å; E26-F58 PolarHBondContact OE2-N 3.14Å
27Y93.4Very high93.3Very high82 Ų8266.1 Ų66.132%0.32233%0.328SS..Hα-helixtrans-58.5-47.7177.1172.6-108000112.3Y23 V24 Y25 L29 H30 I31 L59 H60Y23-Y27 VanDerWaalsContact O-CB 3.31Å; Y23-Y27 WeakPolarHBondContact O-CB 3.31Å; Y23-Y27 PolarHBondContact O-N 3.3Å; V24-Y27 PolarHBondContact O-N 3.48Å; Y25-Y27 VanDerWaalsContact C-N 3.32Å; Y25-Y27 PolarHBondContact O-N 3.39Å; Y27-L29 PolarHBondContact O-N 2.68Å; Y27-H30 PolarHBondContact O-N 3.3Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; Y27-I31 HydrophobicContact CD1-CD1 4.29Å; Y27-I31 HydrophobicContact CD2-CG2 3.92Å; Y27-I31 HydrophobicContact CE1-CD1 3.75Å; Y27-I31 HydrophobicContact CE1-CG2 4.3Å; Y27-I31 HydrophobicContact CE2-CG2 3.41Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 3.32Å; Y27-I31 PolarHBondContact O-N 2.98Å; Y27-L59 HydrophobicContact CG-CD2 4.38Å; Y27-H60 HydrophobicContact CD2-CB 4.17Å; Y27-H60 HydrophobicContact CE2-CB 4.43Å; Y27-H60 AromaticContact CE2-ND1 3.86Å
28L94.3Very high93.4Very high30 Ų3064 Ų6416%0.15733%0.326CS..Hα-helixtrans-58.7-37178.1-71.2172.2000111.7V24 Y25 E26 I31 A33 A37 F40V24-L28 HydrophobicContact CG1-CD1 4.18Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 3.4Å; Y25-L28 PolarHBondContact O-N 3.24Å; E26-L28 PolarHBondContact O-N 2.89Å; L28-I31 HydrophobicContact CD2-CD1 4.27Å; L28-I31 WeakPolarHBondContact O-CG1 3.39Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.15Å; L28-A33 CarbonylContact O-C 3.56Å; L28-A33 WeakPolarHBondContact O-CA 3.38Å; L28-A33 WeakPolarHBondContact O-CB 3.3Å; L28-A33 PolarHBondContact O-N 3.25Å; L28-A37 HydrophobicContact CB-CB 3.74Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L28-F40 HydrophobicContact CD1-CB 4.17Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å
29L92.3Very high93.7Very high20 Ų2063.8 Ų63.811%0.10533%0.33CS..Hα-helixtrans-68.9-46174.8-69.2179.2000112.3Y25 E26 Y27 I31 G32 Q34 A37 L52Y25-L29 HydrophobicContact CD1-CD1 4.03Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.12Å; Y25-L29 HydrophobicContact CE2-CD1 4.27Å; Y25-L29 HydrophobicContact CE2-CD2 4.38Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 WeakPolarHBondContact O-CG 3.31Å; Y25-L29 PolarHBondContact O-N 3.27Å; E26-L29 WeakPolarHBondContact O-CB 3.21Å; E26-L29 PolarHBondContact O-N 3.44Å; Y27-L29 PolarHBondContact O-N 2.68Å; L29-I31 VanDerWaalsContact C-N 3.32Å; L29-I31 PolarHBondContact O-N 2.65Å; L29-G32 PolarHBondContact O-N 2.92Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; L29-A37 HydrophobicContact CD2-CB 3.74Å; L29-A37 HydrophobicContact CG-CB 4.1Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.54Å; L29-L52 HydrophobicContact CD1-CG 4.24Å
30H90.6Very high93.9Very high62 Ų6260.4 Ų60.429%0.28732%0.315SS..Hα-helixtrans-65.7-32.2-177.9-69.9157.3000113E26 Y27 G32 G53 P56 G57E26-H30 WeakPolarHBondContact CG-CE1 3.09Å; E26-H30 PolarHBondContact O-N 3.14Å; E26-H30 IonicContact OE1-CE1 3.49Å; E26-H30 PolarHBondContact OE1-CE1 3.42Å; Y27-H30 PolarHBondContact O-N 3.3Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; H30-G32 PolarHBondContact O-N 3.18Å; H30-G53 PolarHBondContact NE2-O 2.84Å; H30-P56 VanDerWaalsContact ND1-C 3.32Å; H30-P56 PolarHBondContact ND1-O 3.05Å; H30-G57 VanDerWaalsContact CE1-CA 3.42Å; H30-G57 WeakPolarHBondContact CE1-CA 3.41Å; H30-G57 PolarHBondContact CE1-N 3.39Å; H30-G57 VanDerWaalsContact ND1-CA 3.33Å; H30-G57 WeakPolarHBondContact ND1-CA 3.45Å; H30-G57 PolarHBondContact ND1-N 2.86Å
31I92.8Very high93.9Very high92 Ų9257.4 Ų57.447%0.47230%0.3SS..THydrogen-bonded Turntrans-810.5173.170.4175.9000113.7Y27 L28 L29 A33Y27-I31 HydrophobicContact CD1-CD1 4.29Å; Y27-I31 HydrophobicContact CD2-CG2 3.92Å; Y27-I31 HydrophobicContact CE1-CD1 3.75Å; Y27-I31 HydrophobicContact CE1-CG2 4.3Å; Y27-I31 HydrophobicContact CE2-CG2 3.41Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 3.32Å; Y27-I31 PolarHBondContact O-N 2.98Å; L28-I31 HydrophobicContact CD2-CD1 4.27Å; L28-I31 WeakPolarHBondContact O-CG1 3.39Å; L29-I31 VanDerWaalsContact C-N 3.32Å; L29-I31 PolarHBondContact O-N 2.65Å; I31-A33 HydrophobicContact CD1-CB 4.1Å; I31-A33 HydrophobicContact CG1-CB 3.92Å
32G92.2Very high93.9Very high54 Ų5460.6 Ų60.656%0.55732%0.321SS*.THydrogen-bonded Turntrans837.7179.100000115.5L29 H30 Q34L29-G32 PolarHBondContact O-N 2.92Å; H30-G32 PolarHBondContact O-N 3.18Å; G32-Q34 PolarHBondContact O-N 3.46Å
33A94.8Very high94Very high27 Ų2765.7 Ų65.722%0.22334%0.344CS..  trans-80.954.417900000112.4L28 I31 K35 S36 A37L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.15Å; L28-A33 CarbonylContact O-C 3.56Å; L28-A33 WeakPolarHBondContact O-CA 3.38Å; L28-A33 WeakPolarHBondContact O-CB 3.3Å; L28-A33 PolarHBondContact O-N 3.25Å; I31-A33 HydrophobicContact CD1-CB 4.1Å; I31-A33 HydrophobicContact CG1-CB 3.92Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.37Å; A33-S36 PolarHBondContact O-N 2.92Å; A33-A37 PolarHBondContact O-N 3.33Å
34Q93.6Very high94Very high102 Ų10266 Ų6648%0.47735%0.349SS..Hα-helixtrans-55.8-42.6-172.9-64.8-67.5-45.900113.5L29 G32 A37 Q38L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; G32-Q34 PolarHBondContact O-N 3.46Å; Q34-A37 PolarHBondContact O-N 3.18Å; Q34-Q38 PolarHBondContact O-N 3.29Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å
35K95.9Very high93.9Very high181 Ų18173.9 Ų73.979%0.78738%0.375SS*.Hα-helixtrans-65.5-46.3179.3-68-176.8-179.9179.30111.5A33 A37 Q38 T39A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.37Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.31Å; K35-Q38 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-N 2.99Å; K35-T39 PolarHBondContact O-OG1 2.93Å
36S96.7Very high93.9Very high66 Ų6674.6 Ų74.646%0.46238%0.377SS..Hα-helixtrans-63-39177.2-54.20000111.7A33 Q38 T39 F40A33-S36 PolarHBondContact O-N 2.92Å; S36-Q38 PolarHBondContact O-N 3.33Å; S36-T39 PolarHBondContact O-N 3.07Å; S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.06Å
37A94.5Very high93.7Very high0 Ų082.3 Ų82.30%041%0.413CS..Hα-helixtrans-60.3-44.117600000111.8Y25 L28 L29 A33 Q34 K35 L41Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.48Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.45Å; L28-A37 HydrophobicContact CB-CB 3.74Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L29-A37 HydrophobicContact CD2-CB 3.74Å; L29-A37 HydrophobicContact CG-CB 4.1Å; A33-A37 PolarHBondContact O-N 3.33Å; Q34-A37 PolarHBondContact O-N 3.18Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.31Å; A37-L41 PolarHBondContact O-N 2.95Å
38Q92.4Very high93.4Very high141 Ų14183.4 Ų83.466%0.65942%0.419SS*.Hα-helixtrans-68.4-45.5176.8-72.5-157.4-2.900112.8Q34 K35 S36 F40 L41 S42Q34-Q38 PolarHBondContact O-N 3.29Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 3.41Å; S36-Q38 PolarHBondContact O-N 3.33Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 2.87Å; Q38-L41 PolarHBondContact O-N 2.92Å; Q38-S42 PolarHBondContact O-N 3.38Å; Q38-S42 VanDerWaalsContact O-N 3.14Å
39T96.3Very high92.9Very high67 Ų6789.7 Ų89.741%0.41145%0.453SS..Hα-helixtrans-57.5-44.9176.1-60.20000110.7K35 S36 L41 S42 E43K35-T39 PolarHBondContact O-N 2.99Å; K35-T39 PolarHBondContact O-OG1 2.93Å; S36-T39 PolarHBondContact O-N 3.07Å; T39-L41 PolarHBondContact O-N 2.67Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.07Å; T39-S42 PolarHBondContact O-OG 3.27Å; T39-E43 HydrophobicContact CG2-CG 4.18Å; T39-E43 VanDerWaalsContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.34Å; T39-E43 WeakPolarHBondContact O-CG 3.44Å; T39-E43 PolarHBondContact O-N 3.11Å
40F95.8Very high92.4Very high47 Ų4791.3 Ų91.321%0.20646%0.461CS..Hα-helixtrans-56.4-47.5178.9175.4-109.9000112.6A21 V24 L28 S36 Q38 S42 E43 I44A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.09Å; A21-F40 WeakPolarHBondContact O-CE1 3.32Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CB 4.17Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å; S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.06Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 2.87Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 2.86Å; F40-E43 PolarHBondContact O-N 3.15Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.44Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.87Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.44Å; F40-I44 PolarHBondContact O-N 3.38Å; F40-I44 VanDerWaalsContact O-N 3.17Å
41L93.4Very high92Very high31 Ų3194.3 Ų94.316%0.16248%0.484CS..Hα-helixtrans-62.4-38.1176.5-67.5-177.9000112.6Y25 A37 Q38 T39 R45 W46 I50Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 2.95Å; Q38-L41 PolarHBondContact O-N 2.92Å; T39-L41 PolarHBondContact O-N 2.67Å; L41-R45 PolarHBondContact O-N 3.31Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.71Å; L41-W46 HydrophobicContact CD2-CD2 4.36Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.47Å; L41-W46 PolarHBondContact O-N 3.37Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å
42S93.3Very high91.5Very high81 Ų8194.6 Ų94.657%0.56649%0.486SS*.Hα-helixtrans-68.6-39.3179.272.20000112.3Q38 T39 F40 R45Q38-S42 PolarHBondContact O-N 3.38Å; Q38-S42 VanDerWaalsContact O-N 3.14Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.07Å; T39-S42 PolarHBondContact O-OG 3.27Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 2.86Å; S42-R45 PolarHBondContact O-N 3.48Å
43E95.9Very high90.9Very high142 Ų14293.8 Ų93.866%0.66448%0.478SS*.Hα-helixtrans-67.8-41.9-179.3-75.8-179-175.700111.9T39 F40 R45T39-E43 HydrophobicContact CG2-CG 4.18Å; T39-E43 VanDerWaalsContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.34Å; T39-E43 WeakPolarHBondContact O-CG 3.44Å; T39-E43 PolarHBondContact O-N 3.11Å; F40-E43 PolarHBondContact O-N 3.15Å; E43-R45 PolarHBondContact O-N 3.11Å
44I93.9Very high90.3Very high70 Ų7099.6 Ų99.636%0.35950%0.5SS..THydrogen-bonded Turntrans-82.21.4178.373.4-177000112.9A21 F40 W46A21-I44 HydrophobicContact CB-CD1 3.95Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.44Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.87Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.44Å; F40-I44 PolarHBondContact O-N 3.38Å; F40-I44 VanDerWaalsContact O-N 3.17Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.09Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.72Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.42Å
45R93.1Very high89.7Confident207 Ų20798.7 Ų98.778%0.78150%0.503SS*.THydrogen-bonded Turntrans5152.7-175.3-57.2-178.9179-170.5-1.2111.4L41 S42 E43 E47L41-R45 PolarHBondContact O-N 3.31Å; S42-R45 PolarHBondContact O-N 3.48Å; E43-R45 PolarHBondContact O-N 3.11Å; R45-E47 PolarHBondContact O-N 2.92Å
46W93.6Very high88.9Confident46 Ų4693.1 Ų93.117%0.17449%0.486CS..  trans-72.8115.1-178-169.5-92.8000111.1E18 A21 L22 L41 I44 K48E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.4Å; E18-W46 WeakPolarHBondContact O-CH2 3.37Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å; L22-W46 HydrophobicContact CD1-CH2 4.01Å; L22-W46 HydrophobicContact CD1-CZ2 3.76Å; L22-W46 HydrophobicContact CD2-CZ2 4.38Å; L22-W46 HydrophobicContact CG-CH2 3.93Å; L22-W46 HydrophobicContact CG-CZ2 3.61Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.71Å; L41-W46 HydrophobicContact CD2-CD2 4.36Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.47Å; L41-W46 PolarHBondContact O-N 3.37Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.09Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.72Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.42Å; W46-K48 HydrophobicContact CH2-CD 4.38Å; W46-K48 HydrophobicContact CZ2-CB 3.81Å; W46-K48 HydrophobicContact CZ2-CD 4.24Å; W46-K48 PolarHBondContact NE1-O 3.17Å
47E88.4Confident88.5Confident181 Ų18190.3 Ų90.385%0.84647%0.467SS*.  trans-110.61.2-177.1-66.6178.2-175.800113.2R45R45-E47 PolarHBondContact O-N 2.92Å
48K87.8Confident88.3Confident104 Ų10494.1 Ų94.145%0.45248%0.484SS..SBendtrans-92.6147.6-175.3-65.2174174.3176.40111.4E18 W46E18-K48 IonicContact OE1-NZ 2.65Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 2.68Å; E18-K48 PolarHBondContact OE2-NZ 3.24Å; W46-K48 HydrophobicContact CH2-CD 4.38Å; W46-K48 HydrophobicContact CZ2-CB 3.81Å; W46-K48 HydrophobicContact CZ2-CD 4.24Å; W46-K48 PolarHBondContact NE1-O 3.17Å
49N84.2Confident88.4Confident163 Ų16389.6 Ų89.687%0.87246%0.464SS*.  trans-60.3140.9173.5-72.5-62.7000111.3
50I81.3Confident88.1Confident53 Ų5390 Ų9027%0.27246%0.461SS..  trans-110.1121.7-178.1-57.3174.5000109.2L22 Y25 L41 L52L22-I50 HydrophobicContact CD2-CB 4.45Å; L22-I50 HydrophobicContact CD2-CG1 4.39Å; L22-I50 HydrophobicContact CD2-CG2 3.86Å; Y25-I50 HydrophobicContact CD1-CD1 3.81Å; Y25-I50 HydrophobicContact CD1-CG2 3.79Å; Y25-I50 HydrophobicContact CE1-CB 4.44Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.68Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å; I50-L52 HydrophobicContact CG2-CD2 3.93Å; I50-L52 HydrophobicContact CG2-CG 4.29Å
51T81.5Confident87.9Confident125 Ų12589.8 Ų89.877%0.76747%0.466SS*.  trans-103.3120168.352.50000108.3
52L82.3Confident88Confident99 Ų9993.9 Ų93.952%0.51848%0.479SS..  trans-90.3137.1178.6-63.2171.7000110.3Y25 E26 L29 I50Y25-L52 HydrophobicContact CD1-CD2 4.19Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å; E26-L52 HydrophobicContact CB-CD2 4.39Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.54Å; L29-L52 HydrophobicContact CD1-CG 4.24Å; I50-L52 HydrophobicContact CG2-CD2 3.93Å; I50-L52 HydrophobicContact CG2-CG 4.29Å
53G79.8Confident88.1Confident37 Ų3796.6 Ų96.638%0.38148%0.477SS..  trans-87.5175.1170.800000112.7E26 H30E26-G53 VanDerWaalsContact OE1-CA 3.23Å; E26-G53 WeakPolarHBondContact OE1-CA 3.4Å; E26-G53 PolarHBondContact OE1-N 2.96Å; H30-G53 PolarHBondContact NE2-O 2.84Å
54E82.3Confident87.9Confident148 Ų14892.7 Ų92.769%0.69246%0.464SS*.SBendtrans-66.3140.2173.2-71.2-70.5156.200110.7G57E54-G57 PolarHBondContact O-N 3.35Å; E54-G57 VanDerWaalsContact O-N 3.15Å
55P81.7Confident87.9Confident83 Ų8391 Ų9154%0.53946%0.458SS..THydrogen-bonded Turntrans-60.4145.2172.726.4-33.1000110.5
56P78.2Confident88Confident64 Ų6485.8 Ų85.842%0.41644%0.441SS..THydrogen-bonded Turncis-88.28.714.735.6-37.3000115.7H30 H60H30-P56 VanDerWaalsContact ND1-C 3.32Å; H30-P56 PolarHBondContact ND1-O 3.05Å; P56-H60 HydrophobicContact CB-CB 4.44Å; P56-H60 VanDerWaalsContact O-CB 3.32Å; P56-H60 WeakPolarHBondContact O-CB 3.47Å
57G88.7Confident87.9Confident7 Ų789.6 Ų89.67%0.07246%0.455CS..  trans86.4162.9179.100000114.2H30 E54 S61H30-G57 VanDerWaalsContact CE1-CA 3.42Å; H30-G57 WeakPolarHBondContact CE1-CA 3.41Å; H30-G57 PolarHBondContact CE1-N 3.39Å; H30-G57 VanDerWaalsContact ND1-CA 3.33Å; H30-G57 WeakPolarHBondContact ND1-CA 3.45Å; H30-G57 PolarHBondContact ND1-N 2.86Å; E54-G57 PolarHBondContact O-N 3.35Å; E54-G57 VanDerWaalsContact O-N 3.15Å; G57-S61 PolarHBondContact O-N 3.44Å; G57-S61 PolarHBondContact O-OG 3.42Å
58F91.1Very high88.2Confident81 Ų8182.7 Ų82.736%0.35542%0.424SS..Hα-helixtrans-66.9-48.2-174.2177.5-93.7000112.2Y23 E26 H60 S61 W62Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.5Å; Y23-F58 HydrophobicContact CD2-CD1 3.5Å; Y23-F58 AromaticContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CE1-CB 3.8Å; Y23-F58 AromaticContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.81Å; Y23-F58 HydrophobicContact CE1-CG 3.81Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.27Å; Y23-F58 HydrophobicContact CE2-CZ 4.38Å; Y23-F58 HydrophobicContact CG-CB 4.36Å; Y23-F58 AromaticContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CG 4.41Å; Y23-F58 AromaticContact CZ-CD1 3.51Å; Y23-F58 AromaticContact CZ-CE1 3.82Å; Y23-F58 AromaticContact CZ-CG 3.91Å; E26-F58 PolarHBondContact OE2-N 3.14Å; F58-H60 PolarHBondContact O-N 2.98Å; F58-S61 PolarHBondContact O-N 2.92Å; F58-W62 AromaticContact CE1-CD1 3.99Å; F58-W62 HydrophobicContact CE1-CG 4.44Å; F58-W62 AromaticContact CE2-CD1 3.7Å; F58-W62 AromaticContact CZ-CD1 3.38Å; F58-W62 HydrophobicContact CZ-CG 4.22Å; F58-W62 AromaticContact CZ-NE1 3.92Å; F58-W62 WeakPolarHBondContact O-CB 3.13Å; F58-W62 PolarHBondContact O-N 3Å
59L93.1Very high88.4Confident46 Ų4679.8 Ų79.824%0.24141%0.413CS..Hα-helixtrans-61-44.9-175.6-175.561.5000111.9L20 V24 Y27 W62 W63L20-L59 HydrophobicContact CD1-CD1 4.4Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å; Y27-L59 HydrophobicContact CG-CD2 4.38Å; L59-W62 PolarHBondContact O-N 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 2.96Å
60H91.4Very high88.7Confident74 Ų7476.1 Ų76.134%0.34339%0.388SS..Hα-helixtrans-63.5-48.7-179-172.475.9000111.1Y27 P56 F58 W62 W63 C64Y27-H60 HydrophobicContact CD2-CB 4.17Å; Y27-H60 HydrophobicContact CE2-CB 4.43Å; Y27-H60 AromaticContact CE2-ND1 3.86Å; P56-H60 HydrophobicContact CB-CB 4.44Å; P56-H60 VanDerWaalsContact O-CB 3.32Å; P56-H60 WeakPolarHBondContact O-CB 3.47Å; F58-H60 PolarHBondContact O-N 2.98Å; H60-W62 PolarHBondContact O-N 3.46Å; H60-W63 PolarHBondContact O-N 3.34Å; H60-C64 PolarHBondContact O-N 3.31Å; H60-C64 PolarHBondContact O-SG 3.28Å
61S91.4Very high89.1Confident44 Ų4473.8 Ų73.831%0.30838%0.376SS..Hα-helixtrans-57.5-50.1179-55.20000111G57 F58 W63 C64 V65G57-S61 PolarHBondContact O-N 3.44Å; G57-S61 PolarHBondContact O-OG 3.42Å; F58-S61 PolarHBondContact O-N 2.92Å; S61-W63 PolarHBondContact O-N 3.28Å; S61-C64 PolarHBondContact O-N 2.93Å; S61-V65 WeakPolarHBondContact O-CG2 3.2Å; S61-V65 PolarHBondContact O-N 3.43Å
62W94.8Very high89.4Confident116 Ų11667.8 Ų67.844%0.43934%0.339SS..Hα-helixtrans-65.6-39.5-179.7-131.8103.4000112.4F58 L59 H60 V65 F66 M125F58-W62 AromaticContact CE1-CD1 3.99Å; F58-W62 HydrophobicContact CE1-CG 4.44Å; F58-W62 AromaticContact CE2-CD1 3.7Å; F58-W62 AromaticContact CZ-CD1 3.38Å; F58-W62 HydrophobicContact CZ-CG 4.22Å; F58-W62 AromaticContact CZ-NE1 3.92Å; F58-W62 WeakPolarHBondContact O-CB 3.13Å; F58-W62 PolarHBondContact O-N 3Å; L59-W62 PolarHBondContact O-N 3.25Å; H60-W62 PolarHBondContact O-N 3.46Å; W62-V65 PolarHBondContact O-N 3.3Å; W62-F66 HydrophobicContact CE3-CB 4.33Å; W62-F66 HydrophobicContact CZ3-CB 4.41Å; W62-F66 WeakPolarHBondContact O-CB 3.34Å; W62-F66 PolarHBondContact O-N 3.31Å; W62-M125 HydrophobicContact CG-CE 4.06Å
63W95.2Very high89.7Confident139 Ų13963.6 Ų63.653%0.52732%0.319SS..Hα-helixtrans-64.9-40.7178-177.9-104.6000112.2L59 H60 S61 V65 F66 W67L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 2.96Å; H60-W63 PolarHBondContact O-N 3.34Å; S61-W63 PolarHBondContact O-N 3.28Å; W63-V65 VanDerWaalsContact C-N 3.32Å; W63-V65 PolarHBondContact O-N 3.43Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 HydrophobicContact CH2-CE1 4.01Å; W63-F66 AromaticContact CZ3-CD1 3.59Å; W63-F66 HydrophobicContact CZ3-CD1 3.59Å; W63-F66 AromaticContact CZ3-CE1 3.77Å; W63-F66 HydrophobicContact CZ3-CE1 3.77Å; W63-F66 PolarHBondContact O-N 2.86Å; W63-W67 HydrophobicContact CZ2-CE3 4.19Å; W63-W67 VanDerWaalsContact O-CB 3.28Å; W63-W67 WeakPolarHBondContact O-CB 2.94Å; W63-W67 PolarHBondContact O-N 2.94Å
64C93.2Very high89.6Confident59 Ų5964.6 Ų64.640%0.39932%0.318SS..Hα-helixtrans-58.5-44.7174.9-73.10000111.7H60 S61 W67 D68H60-C64 PolarHBondContact O-N 3.31Å; H60-C64 PolarHBondContact O-SG 3.28Å; S61-C64 PolarHBondContact O-N 2.93Å; C64-W67 PolarHBondContact O-N 3.39Å; C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.36Å; C64-D68 PolarHBondContact O-N 3.49Å
65V92.9Very high89.6Confident36 Ų3665 Ų6522%0.21832%0.321CS..Hα-helixtrans-64-48.2176.8-179.80000111S61 W62 W63 W67 D68 L69 F124S61-V65 WeakPolarHBondContact O-CG2 3.2Å; S61-V65 PolarHBondContact O-N 3.43Å; W62-V65 PolarHBondContact O-N 3.3Å; W63-V65 VanDerWaalsContact C-N 3.32Å; W63-V65 PolarHBondContact O-N 3.43Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.35Å; V65-D68 PolarHBondContact O-N 2.99Å; V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 WeakPolarHBondContact O-CD1 3.28Å; V65-L69 PolarHBondContact O-N 3.47Å; V65-F124 HydrophobicContact CB-CD1 4.45Å; V65-F124 HydrophobicContact CB-CE1 4.16Å; V65-F124 HydrophobicContact CG1-CD1 3.94Å; V65-F124 HydrophobicContact CG1-CE1 3.59Å; V65-F124 HydrophobicContact CG1-CZ 4.49Å; V65-F124 HydrophobicContact CG2-CD1 3.61Å; V65-F124 HydrophobicContact CG2-CE1 3.53Å
66F94.8Very high89.4Confident96 Ų9666.3 Ų66.342%0.42132%0.315SS..Hα-helixtrans-57.7-46.8178.3171.6-96.7000111.8W62 W63 D68 L69 Y70W62-F66 HydrophobicContact CE3-CB 4.33Å; W62-F66 HydrophobicContact CZ3-CB 4.41Å; W62-F66 WeakPolarHBondContact O-CB 3.34Å; W62-F66 PolarHBondContact O-N 3.31Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 HydrophobicContact CH2-CE1 4.01Å; W63-F66 AromaticContact CZ3-CD1 3.59Å; W63-F66 HydrophobicContact CZ3-CD1 3.59Å; W63-F66 AromaticContact CZ3-CE1 3.77Å; W63-F66 HydrophobicContact CZ3-CE1 3.77Å; W63-F66 PolarHBondContact O-N 2.86Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-L69 PolarHBondContact O-N 3.09Å; F66-Y70 VanDerWaalsContact O-CB 3.29Å; F66-Y70 WeakPolarHBondContact O-CB 3.14Å; F66-Y70 PolarHBondContact O-N 3.37Å
67W92.9Very high89.2Confident127 Ų12766.8 Ų66.848%0.48131%0.308SS..Hα-helixtrans-63.5-42179.9-174-103.5000111.8W63 C64 V65 Y70 C71W63-W67 HydrophobicContact CZ2-CE3 4.19Å; W63-W67 VanDerWaalsContact O-CB 3.28Å; W63-W67 WeakPolarHBondContact O-CB 2.94Å; W63-W67 PolarHBondContact O-N 2.94Å; C64-W67 PolarHBondContact O-N 3.39Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.35Å; W67-Y70 HydrophobicContact CE3-CD1 4.02Å; W67-Y70 HydrophobicContact CH2-CD1 4.25Å; W67-Y70 HydrophobicContact CH2-CE1 4.22Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.93Å; W67-Y70 HydrophobicContact CZ3-CE1 3.93Å; W67-Y70 WeakPolarHBondContact O-CB 3.35Å; W67-Y70 PolarHBondContact O-N 3.5Å; W67-Y70 VanDerWaalsContact O-N 3.16Å; W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.43Å; W67-C71 VanDerWaalsContact NE1-SG 3.45Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 3.18Å; W67-C71 PolarHBondContact O-SG 3.27Å; W67-C71 VanDerWaalsContact O-SG 3.39Å
68D92.7Very high88.5Confident35 Ų3574.5 Ų74.519%0.18734%0.342CS..Hα-helixtrans-62.9-44.7177.2-170.234.2000111.9C64 V65 F66 Y70 C71 A72 S83 A86C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.36Å; C64-D68 PolarHBondContact O-N 3.49Å; V65-D68 PolarHBondContact O-N 2.99Å; F66-D68 VanDerWaalsContact C-N 3.35Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.42Å; D68-C71 PolarHBondContact O-N 3.34Å; D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.28Å; D68-A72 PolarHBondContact O-N 2.99Å; D68-S83 WeakPolarHBondContact OD1-CB 3.41Å; D68-S83 PolarHBondContact OD1-N 3.42Å; D68-S83 WeakPolarHBondContact OD2-CB 3.48Å; D68-A86 HydrophobicContact CB-CB 4.37Å; D68-A86 WeakPolarHBondContact OD2-CB 3.31Å
69L92.6Very high87.8Confident44 Ų4476.3 Ų76.323%0.2336%0.36CS..Hα-helixtrans-63.5-37.6172.2-88.878.9000112.2V65 F66 A72 A73 A86 F89 H90V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 WeakPolarHBondContact O-CD1 3.28Å; V65-L69 PolarHBondContact O-N 3.47Å; F66-L69 PolarHBondContact O-N 3.09Å; L69-A72 PolarHBondContact O-N 3.29Å; L69-A73 PolarHBondContact O-N 2.93Å; L69-A86 HydrophobicContact CD1-CB 4.16Å; L69-A86 HydrophobicContact CG-CB 4.38Å; L69-F89 HydrophobicContact CD2-CD1 3.73Å; L69-F89 HydrophobicContact CD2-CE1 3.89Å; L69-F89 HydrophobicContact CD2-CG 4.47Å; L69-F89 HydrophobicContact CG-CD1 4.47Å; L69-H90 PolarHBondContact O-NE2 3.46Å
70Y90.1Very high87.1Confident86 Ų8676.4 Ų76.434%0.33736%0.364SS..Hα-helixtrans-66-42.5178.2178.7-103000112F66 W67 D68 A73 R76F66-Y70 VanDerWaalsContact O-CB 3.29Å; F66-Y70 WeakPolarHBondContact O-CB 3.14Å; F66-Y70 PolarHBondContact O-N 3.37Å; W67-Y70 HydrophobicContact CE3-CD1 4.02Å; W67-Y70 HydrophobicContact CH2-CD1 4.25Å; W67-Y70 HydrophobicContact CH2-CE1 4.22Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.93Å; W67-Y70 HydrophobicContact CZ3-CE1 3.93Å; W67-Y70 WeakPolarHBondContact O-CB 3.35Å; W67-Y70 PolarHBondContact O-N 3.5Å; W67-Y70 VanDerWaalsContact O-N 3.16Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.42Å; Y70-A73 VanDerWaalsContact O-CB 3.24Å; Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 3.49Å; Y70-R76 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R76 PolarHBondContact OH-NH1 3.41Å; Y70-R76 PolarHBondContact OH-NH2 3.22Å
71C91.1Very high86.7Confident3 Ų380.9 Ų80.92%0.0239%0.391CS..Hα-helixtrans-68.6-35175.4-70.50000112.1W67 D68 A73 R77 C80 H82W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.43Å; W67-C71 VanDerWaalsContact NE1-SG 3.45Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 3.18Å; W67-C71 PolarHBondContact O-SG 3.27Å; W67-C71 VanDerWaalsContact O-SG 3.39Å; D68-C71 PolarHBondContact O-N 3.34Å; C71-A73 PolarHBondContact O-N 3.38Å; C71-R77 VanDerWaalsContact O-CA 3.27Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 2.83Å; C71-C80 HydrophobicContact CB-CB 3.82Å; C71-H82 HydrophobicContact CB-CB 3.98Å
72A87.9Confident86.5Confident0 Ų081.7 Ų81.70%039%0.389CS..THydrogen-bonded Turntrans-73.7-6.9176.400000114.4D68 L69 H82 A86D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.28Å; D68-A72 PolarHBondContact O-N 2.99Å; L69-A72 PolarHBondContact O-N 3.29Å; A72-H82 HydrophobicContact CB-CB 3.99Å; A72-A86 HydrophobicContact CB-CB 3.62Å
73A87.4Confident86.1Confident11 Ų1178 Ų789%0.09138%0.381CS..SBendtrans-57.1138.517900000110.9L69 Y70 C71 E75 R76 R77L69-A73 PolarHBondContact O-N 2.93Å; Y70-A73 VanDerWaalsContact O-CB 3.24Å; Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 3.49Å; C71-A73 PolarHBondContact O-N 3.38Å; A73-E75 PolarHBondContact O-N 3.03Å; A73-R76 PolarHBondContact O-N 3.31Å; A73-R77 WeakPolarHBondContact O-CB 3.07Å; A73-R77 PolarHBondContact O-N 2.98Å
74P78.3Confident85.6Confident57 Ų5776 Ų7637%0.3739%0.389SS..THydrogen-bonded Turntrans-53-31.1-173.9-26.534.1000114.4R76P74-R76 VanDerWaalsContact C-N 3.33Å
75E81.2Confident85.4Confident158 Ų15878 Ų7874%0.73839%0.392SS*.THydrogen-bonded Turntrans-77.4-17.7-178.2-53.174.1-153.800113.3A73A73-E75 PolarHBondContact O-N 3.03Å
76R78.4Confident85.2Confident110 Ų11076.3 Ų76.342%0.41538%0.382SS..THydrogen-bonded Turntrans-123.7-19.6-168.1-59.2178-165.1-102.51.7113.7Y70 A73 P74 E78 T79 C80Y70-R76 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R76 PolarHBondContact OH-NH1 3.41Å; Y70-R76 PolarHBondContact OH-NH2 3.22Å; A73-R76 PolarHBondContact O-N 3.31Å; P74-R76 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 3.19Å; R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R76-C80 PolarHBondContact O-N 3.07Å
77R74.8Confident84.8Confident73 Ų7375.3 Ų75.328%0.27538%0.378SS..THydrogen-bonded Turntrans-58.9-21.3-172.569.8178.6-179-153.6-0.8115.8C71 A73 T79 H82 D91C71-R77 VanDerWaalsContact O-CA 3.27Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 2.83Å; A73-R77 WeakPolarHBondContact O-CB 3.07Å; A73-R77 PolarHBondContact O-N 2.98Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 2.96Å; R77-H82 WeakPolarHBondContact CB-NE2 3.49Å; R77-H82 PolarHBondContact O-NE2 2.93Å; R77-D91 IonicContact NH1-OD1 3.9Å; R77-D91 PolarHBondContact NH1-OD1 3.07Å
78E72.3Confident84.5Confident169 Ų16970.9 Ų70.979%0.7937%0.368SS*.THydrogen-bonded Turntrans-75.8-15.8175.8-58-70150.200112.8R76R76-E78 PolarHBondContact O-N 3.19Å
79T77.4Confident84.2Confident120 Ų12073 Ų7374%0.73638%0.376SS*.THydrogen-bonded Turntrans-117.7-10.9-172.257.20000114.5R76 R77R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 2.96Å
80C79.4Confident84Confident48 Ų4873.2 Ų73.232%0.32438%0.375SS..SBendtrans-131135.4-174.8-67.50000110.6C71 R76 H82C71-C80 HydrophobicContact CB-CB 3.82Å; R76-C80 PolarHBondContact O-N 3.07Å; C80-H82 PolarHBondContact O-CD2 3.16Å; C80-H82 PolarHBondContact O-N 3.29Å
81D81.9Confident83.6Confident168 Ų16871.8 Ų71.890%0.89837%0.374SS*.  trans-63.3132171.4-71.2-43.7000110.3
82H87.6Confident83.1Confident60 Ų6080.4 Ų80.428%0.27841%0.407SS..  trans-145156.2-178.660.357.2000111.7C71 A72 R77 C80C71-H82 HydrophobicContact CB-CB 3.98Å; A72-H82 HydrophobicContact CB-CB 3.99Å; R77-H82 WeakPolarHBondContact CB-NE2 3.49Å; R77-H82 PolarHBondContact O-NE2 2.93Å; C80-H82 PolarHBondContact O-CD2 3.16Å; C80-H82 PolarHBondContact O-N 3.29Å
83S87.1Confident82.4Confident39 Ų3983.4 Ų83.427%0.27343%0.428SS..  trans-69.9149.6175.1-175.10000112.1D68 E85 A86 K87D68-S83 WeakPolarHBondContact OD1-CB 3.41Å; D68-S83 PolarHBondContact OD1-N 3.42Å; D68-S83 WeakPolarHBondContact OD2-CB 3.48Å; S83-E85 PolarHBondContact O-N 3.39Å; S83-E85 PolarHBondContact OG-N 3.45Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-K87 PolarHBondContact O-N 3.45Å; S83-K87 VanDerWaalsContact O-N 3.16Å
84S84.3Confident81.3Confident97 Ų9786 Ų8668%0.67845%0.449SS*.Hα-helixtrans-63.7-28.8170.952.80000112.7A88S84-A88 WeakPolarHBondContact O-CB 3.29Å; S84-A88 PolarHBondContact O-N 2.84Å; S84-A88 VanDerWaalsContact O-N 3.07Å
85E88.7Confident80.4Confident100 Ų10086.8 Ų86.847%0.46746%0.461SS..Hα-helixtrans-69.9-43.9177.9-65.4-178.2165.600111.4S83 A88 F89S83-E85 PolarHBondContact O-N 3.39Å; S83-E85 PolarHBondContact OG-N 3.45Å; E85-A88 PolarHBondContact O-N 3.45Å; E85-F89 PolarHBondContact O-N 3.41Å
86A87.4Confident79.2Confident2 Ų283 Ų832%0.01746%0.457CS..Hα-helixtrans-66.1-39.2176.900000112.2D68 L69 A72 S83 F89 H90D68-A86 HydrophobicContact CB-CB 4.37Å; D68-A86 WeakPolarHBondContact OD2-CB 3.31Å; L69-A86 HydrophobicContact CD1-CB 4.16Å; L69-A86 HydrophobicContact CG-CB 4.38Å; A72-A86 HydrophobicContact CB-CB 3.62Å; S83-A86 PolarHBondContact O-N 2.85Å; A86-F89 WeakPolarHBondContact O-CB 3.47Å; A86-F89 PolarHBondContact O-N 3.28Å; A86-H90 PolarHBondContact O-CD2 2.77Å; A86-H90 PolarHBondContact O-N 3.29Å
87K86.3Confident77.5Confident75 Ų7580.4 Ų80.433%0.32646%0.459SS..Hα-helixtrans-60-46.4172.4-175.4-179.5-176.2-62.60111.4S83 F89 H90 D91S83-K87 PolarHBondContact O-N 3.45Å; S83-K87 VanDerWaalsContact O-N 3.16Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.37Å; K87-H90 PolarHBondContact O-N 3.3Å; K87-D91 IonicContact NZ-OD1 2.63Å; K87-D91 IonicContact NZ-OD2 3.7Å; K87-D91 PolarHBondContact NZ-OD2 3.24Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.16Å
88A87.2Confident75.9Confident34 Ų3482.9 Ų82.928%0.28148%0.484SS..Hα-helixtrans-60.7-38.8178.100000111.9S84 E85 H90 D91 Y92S84-A88 WeakPolarHBondContact O-CB 3.29Å; S84-A88 PolarHBondContact O-N 2.84Å; S84-A88 VanDerWaalsContact O-N 3.07Å; E85-A88 PolarHBondContact O-N 3.45Å; A88-H90 PolarHBondContact O-N 2.93Å; A88-D91 PolarHBondContact O-N 3.28Å; A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.15Å; A88-Y92 WeakPolarHBondContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CD2 3.26Å; A88-Y92 PolarHBondContact O-N 3.39Å
89F87.8Confident74.1Confident80 Ų8078.7 Ų78.735%0.35147%0.473SS..Hα-helixtrans-59.9-43.9177.4-175-95.1000112.8L69 E85 A86 K87 S93 F120L69-F89 HydrophobicContact CD2-CD1 3.73Å; L69-F89 HydrophobicContact CD2-CE1 3.89Å; L69-F89 HydrophobicContact CD2-CG 4.47Å; L69-F89 HydrophobicContact CG-CD1 4.47Å; E85-F89 PolarHBondContact O-N 3.41Å; A86-F89 WeakPolarHBondContact O-CB 3.47Å; A86-F89 PolarHBondContact O-N 3.28Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.37Å; F89-S93 VanDerWaalsContact O-CB 3.31Å; F89-S93 WeakPolarHBondContact O-CB 3.24Å; F89-S93 PolarHBondContact O-N 2.8Å; F89-S93 PolarHBondContact O-OG 3.17Å; F89-F120 HydrophobicContact CD2-CE1 4.44Å; F89-F120 HydrophobicContact CE2-CE1 4.24Å
90H86.6Confident72.6Confident47 Ų4779.4 Ų79.422%0.21848%0.48CS..Hα-helixtrans-69.1-42.2174.6-78.6-71.7000112.4L69 A86 K87 A88 S93 A94L69-H90 PolarHBondContact O-NE2 3.46Å; A86-H90 PolarHBondContact O-CD2 2.77Å; A86-H90 PolarHBondContact O-N 3.29Å; K87-H90 PolarHBondContact O-N 3.3Å; A88-H90 PolarHBondContact O-N 2.93Å; H90-S93 PolarHBondContact O-N 3.05Å; H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.18Å
91D82.4Confident71.1Confident57 Ų5783.4 Ų83.431%0.30550%0.503SS..Hα-helixtrans-65.8-39.4-179.7-70-20.7000111.9R77 K87 A88 A95R77-D91 IonicContact NH1-OD1 3.9Å; R77-D91 PolarHBondContact NH1-OD1 3.07Å; K87-D91 IonicContact NZ-OD1 2.63Å; K87-D91 IonicContact NZ-OD2 3.7Å; K87-D91 PolarHBondContact NZ-OD2 3.24Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.16Å; A88-D91 PolarHBondContact O-N 3.28Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.84Å
92Y80.1Confident69.3Low183 Ų18381.9 Ų81.972%0.71849%0.492SS*.Hα-helixtrans-69.9-37.6173.7-77.2-61000112.3A88 A94 A95 A96A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.15Å; A88-Y92 WeakPolarHBondContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CD2 3.26Å; A88-Y92 PolarHBondContact O-N 3.39Å; Y92-A94 VanDerWaalsContact C-N 3.35Å; Y92-A95 PolarHBondContact O-N 2.96Å; Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3.39Å
93S73.3Confident67.2Low64 Ų6483.3 Ų83.345%0.44852%0.523SS..Hα-helixtrans-66.9-37.9175.4-62.90000111.8F89 H90 A96 A97F89-S93 VanDerWaalsContact O-CB 3.31Å; F89-S93 WeakPolarHBondContact O-CB 3.24Å; F89-S93 PolarHBondContact O-N 2.8Å; F89-S93 PolarHBondContact O-OG 3.17Å; H90-S93 PolarHBondContact O-N 3.05Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A97 PolarHBondContact O-N 3.3Å
94A64.6Low65.3Low64 Ų6484.3 Ų84.353%0.52954%0.539SS..Hα-helixtrans-71.4-34.6175.100000112.2H90 Y92 A96 A97H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.18Å; Y92-A94 VanDerWaalsContact C-N 3.35Å; A94-A96 VanDerWaalsContact C-N 3.3Å; A94-A97 WeakPolarHBondContact O-CB 3.25Å; A94-A97 PolarHBondContact O-N 3.42Å
95A59Low63.1Low74 Ų7486.8 Ų86.861%0.61254%0.542SS*.Hα-helixtrans-73.7-19.7173.400000113.5D91 Y92D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.84Å; Y92-A95 PolarHBondContact O-N 2.96Å
96A55.9Low60.6Low80 Ų8087.4 Ų87.466%0.66156%0.555SS**THydrogen-bonded Turntrans-85.4-6.6173.100000113.3Y92 S93 A94Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3.39Å; S93-A96 PolarHBondContact O-N 3.33Å; A94-A96 VanDerWaalsContact C-N 3.3Å
97A43.1Very low58.7Low54 Ų5493.9 Ų93.945%0.44660%0.597SS.*SBendtrans-63.2132.6159.800000107.7S93 A94 S99S93-A97 PolarHBondContact O-N 3.3Å; A94-A97 WeakPolarHBondContact O-CB 3.25Å; A94-A97 PolarHBondContact O-N 3.42Å; A97-S99 PolarHBondContact O-N 3.48Å
98P41.6Very low57Low126 Ų12693.4 Ų93.482%0.81861%0.613SS**  trans-57.7110.2173.724.5-31.5000107.4
99S35.2Very low54.7Low80 Ų80101.1 Ų101.156%0.55964%0.643SS**  trans-52.2138.4175-84.80000108.8A97 V101A97-S99 PolarHBondContact O-N 3.48Å; S99-V101 PolarHBondContact O-N 3.39Å
100P45Very low52.6Low136 Ų136101.2 Ų101.288%0.88367%0.666SS**SBendtrans-69.917.8179.429.7-34.3000113.4M102P100-M102 PolarHBondContact O-N 2.63Å
101V48.3Very low50.3Low132 Ų132107.8 Ų107.880%0.870%0.7SS**  trans-90.334.5-17984.40000112.6S99S99-V101 PolarHBondContact O-N 3.39Å
102M43.4Very low48.4Very low136 Ų136111.1 Ų111.167%0.6772%0.724SS**  trans-137.162.3168.5-150.6169.4-157.700111.2P100 G104 M105P100-M102 PolarHBondContact O-N 2.63Å; M102-G104 VanDerWaalsContact C-N 3.3Å; M102-G104 PolarHBondContact O-N 3.23Å; M102-M105 HydrophobicContact CE-CE 4.34Å
103G44.3Very low46.8Very low89 Ų89106.2 Ų106.292%0.91873%0.729SS**  trans-64.694.815400000109
104G45.8Very low45.3Very low60 Ų60106.2 Ų106.262%0.61974%0.739SS**  trans127.674.6167.500000115.2M102M102-G104 VanDerWaalsContact C-N 3.3Å; M102-G104 PolarHBondContact O-N 3.23Å
105M38.6Very low44.7Very low149 Ų149109.1 Ų109.173%0.73475%0.753SS**  trans-157.6131.9152.9-143.373.713100108.9M102M102-M105 HydrophobicContact CE-CE 4.34Å
106P37.6Very low44.3Very low114 Ų114112.6 Ų112.674%0.7476%0.758SS**  trans-66.7154.9-17426.2-34.6000113.4G108P106-G108 PolarHBondContact O-N 3.01Å
107P46.1Very low43.5Very low138 Ų138113.6 Ų113.690%0.89676%0.758SS**SBendtrans-84.5110.8-170.833.3-29.7000110.4
108G50.8Low43.4Very low65 Ų65117.6 Ų117.667%0.6778%0.779SS**  trans153.175168.600000113.4P106P106-G108 PolarHBondContact O-N 3.01Å
109E39.6Very low43.6Very low196 Ų196113.3 Ų113.392%0.91676%0.758SS**  trans-167.1112.6148.8-106165.4-148.100107.5
110G43.8Very low44.2Very low81 Ų81115.5 Ų115.584%0.83576%0.757SS**  trans-71.1136-171.800000112.8
111M37.6Very low44.1Very low186 Ų186114.8 Ų114.892%0.91674%0.741SS**  trans-91131.8160.1-86.2-161.4156.600110G113M111-G113 PolarHBondContact O-N 2.92Å; M111-G113 VanDerWaalsContact O-N 3.17Å
112P43.1Very low43.9Very low127 Ų127115.4 Ų115.483%0.82574%0.735SS**  trans-73.9109.4175.830-29.9000108.5G114P112-G114 PolarHBondContact O-N 2.97Å
113G45.8Very low43.7Very low80 Ų80113.7 Ų113.783%0.82574%0.736SS**  trans-60101.9163.200000108.9M111M111-G113 PolarHBondContact O-N 2.92Å; M111-G113 VanDerWaalsContact O-N 3.17Å
114G41.1Very low43.8Very low63 Ų63113.8 Ų113.865%0.64971%0.712SS**PPolyproline II helixtrans-66.6142.1173.700000110.6P112 M116P112-G114 PolarHBondContact O-N 2.97Å; G114-M116 PolarHBondContact O-N 3.39Å
115P52.2Low43.6Very low126 Ų126114.5 Ų114.582%0.81870%0.7SS**PPolyproline II helixtrans-66134.5175.426.6-31.8000110.3
116M51.6Low43.2Very low147 Ų147111.1 Ų111.172%0.72469%0.691SS**PPolyproline II helixtrans-52.2138170-94.3-154.4-79.100110.6G114G114-M116 PolarHBondContact O-N 3.39Å
117P38.1Very low43.3Very low100 Ų100110 Ų11065%0.64968%0.684SS**PPolyproline II helixtrans-66.4136.2179.625.7-32.2000111.1G119P117-G119 PolarHBondContact O-N 3.32Å
118P42.8Very low43.1Very low138 Ų138113.6 Ų113.690%0.89668%0.679SS**THydrogen-bonded Turntrans-7297.8176.929.1-30.5000108.7
119G45.3Very low42.1Very low36 Ų36119 Ų11937%0.37169%0.685SS.*THydrogen-bonded Turntrans165.2-18.2-178.300000115.5P117 F121 Q122P117-G119 PolarHBondContact O-N 3.32Å; G119-F121 VanDerWaalsContact C-N 3.28Å; G119-F121 PolarHBondContact O-N 2.9Å; G119-Q122 PolarHBondContact O-N 3.35Å; G119-Q122 VanDerWaalsContact O-N 3.11Å
120F48.3Very low42.1Very low126 Ų126114.6 Ų114.655%0.55368%0.682SS**THydrogen-bonded Turntrans-58.2-38.7-179.7-172.6-103.8000113F89F89-F120 HydrophobicContact CD2-CE1 4.44Å; F89-F120 HydrophobicContact CE2-CE1 4.24Å
121F42.9Very low41.8Very low122 Ų122114.5 Ų114.554%0.53568%0.681SS.*THydrogen-bonded Turntrans-82.8-14.6178.5-72.7-84.2000114.7G119 S123 F124G119-F121 VanDerWaalsContact C-N 3.28Å; G119-F121 PolarHBondContact O-N 2.9Å; F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 2.84Å; F121-F124 PolarHBondContact O-N 3.39Å
122Q43.6Very low41.4Very low145 Ų145109.1 Ų109.168%0.67867%0.673SS**THydrogen-bonded Turntrans-73.1-28.3-177.5-67.9-71.2-11.500112.1G119 F124G119-Q122 PolarHBondContact O-N 3.35Å; G119-Q122 VanDerWaalsContact O-N 3.11Å; Q122-F124 VanDerWaalsContact C-N 3.3Å
123S38.7Very low41.3Very low100 Ų100109.5 Ų109.570%0.69968%0.675SS**THydrogen-bonded Turntrans-76.2-18.5175-60.10000113.1F121F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 2.84Å
124F46.3Very low41.2Very low90 Ų90117.4 Ų117.440%0.39568%0.681SS.*THydrogen-bonded Turntrans-85.4-15.3-179.4-133.5-89.3000113.1V65 F121 Q122V65-F124 HydrophobicContact CB-CD1 4.45Å; V65-F124 HydrophobicContact CB-CE1 4.16Å; V65-F124 HydrophobicContact CG1-CD1 3.94Å; V65-F124 HydrophobicContact CG1-CE1 3.59Å; V65-F124 HydrophobicContact CG1-CZ 4.49Å; V65-F124 HydrophobicContact CG2-CD1 3.61Å; V65-F124 HydrophobicContact CG2-CE1 3.53Å; F121-F124 PolarHBondContact O-N 3.39Å; Q122-F124 VanDerWaalsContact C-N 3.3Å
125M41Very low41.2Very low75 Ų75117.3 Ų117.337%0.36968%0.679SS.*SBendtrans-108.45.2-172-70.4-80.6175.900114.2W62W62-M125 HydrophobicContact CG-CE 4.06Å
126S31.1Very low40.7Very low79 Ų79117.3 Ų117.355%0.55268%0.679SS**SBendtrans-75.9129176.4-690000110.4R128S126-R128 PolarHBondContact O-N 3.38Å
127P39.5Very low40.3Very low90 Ų90116 Ų11658%0.58468%0.682SS**  trans-60.4106.3165.5-14.327.3000107.2F129P127-F129 PolarHBondContact O-N 3.36Å
128R41.4Very low40.5Very low214 Ų214120.3 Ų120.381%0.80870%0.695SS**  trans-67.687.8173.5-66.1-173.7-175.7-1586.3107.6S126S126-R128 PolarHBondContact O-N 3.38Å
129F30.7Very low40.4Very low178 Ų178125.4 Ų125.478%0.78170%0.697SS**  trans-64.6147.1165.9-100.4-84.1000110.4P127 G131P127-F129 PolarHBondContact O-N 3.36Å; F129-G131 PolarHBondContact O-N 2.81Å
130A38.8Very low39.9Very low104 Ų104132.3 Ų132.386%0.8672%0.722SS**SBendtrans-33.6122.4-179.800000115.2
131G37.8Very low39.3Very low79 Ų79132.2 Ų132.281%0.81473%0.734SS**  trans172.230.5176.200000119.3F129F129-G131 PolarHBondContact O-N 2.81Å
132G30.3Very low39.4Very low73 Ų73133.9 Ų133.975%0.75375%0.748SS**  trans75.2175.7164.900000118
133P40.5Very low39.1Very low134 Ų134136.1 Ų136.187%0.8776%0.759SS**PPolyproline II helixcis-96.3159.5-20.336.4-25.4000112
134R42.7Very low38.6Very low247 Ų247137.9 Ų137.993%0.93277%0.765SS**PPolyproline II helixtrans-63.5142.1-171.7-62.8173.3119.794.2-1112.7
135G41.8Very low38.5Very low60 Ų60139.1 Ų139.162%0.61978%0.782SS**PPolyproline II helixtrans-59.2169.3161.200000112.5
136P41.7Very low38.3Very low126 Ų126139.7 Ų139.782%0.81881%0.807SS**PPolyproline II helixtrans-64.4136.5-170.626.9-32.8000111M138P136-M138 PolarHBondContact O-N 2.97Å
137P44.1Very low38.3Very low121 Ų121139.8 Ų139.879%0.78682%0.821SS**PPolyproline II helixtrans-76.8121.9-177.230.2-30.7000109.9R139P137-R139 PolarHBondContact O-N 3.41Å
138M41.8Very low38Very low189 Ų189139.3 Ų139.393%0.93183%0.832SS**PPolyproline II helixtrans-50.2118.1157.4-83.3-98.4-149.200108.9P136 M140P136-M138 PolarHBondContact O-N 2.97Å; M138-M140 PolarHBondContact O-N 3.05Å
139R39.5Very low38Very low246 Ų246135.5 Ų135.593%0.92884%0.835SS**  trans-62.2112.5172-84.3-179.2163.9-153.1-2109.6P137P137-R139 PolarHBondContact O-N 3.41Å
140M36.7Very low38.4Very low181 Ų181130.3 Ų130.389%0.89283%0.832SS**  trans-86.2130147.1-81.3-150.3-160.300108.2M138M138-M140 PolarHBondContact O-N 3.05Å
141P34.6Very low38.5Very low124 Ų124131.3 Ų131.381%0.80583%0.83SS**SBendtrans-74134.4172.729.5-29.1000109.1
142N45.8Very low38.5Very low156 Ų156136.4 Ų136.483%0.83483%0.832SS**  trans100.162164.5-157.255.8000118.1
143Q36.9Very low39.4Very low193 Ų193138.9 Ų138.990%0.90284%0.835SS**  trans-150.7139.1145-66.5-158.320.500112.8
144T28.7Very low39.4Very low136 Ų136140.9 Ų140.983%0.83484%0.835SS**  trans-158.8154168.2-52.70000105.2
145P42.7Very low39.4Very low117 Ų117136.8 Ų136.876%0.7683%0.83SS**  cis-132.5158.1-1.217.47.9000116.2
146G36.5Very low39.8Very low86 Ų86139.9 Ų139.989%0.88784%0.84SS**  70.8125.9125.600000122.4
147G31.5Very low39.6Very low81 Ų81141.1 Ų141.184%0.83584%0.839SS**  trans145.8113.7155.100000114.7
148G33.8Very low39.6Very low80 Ų80143.8 Ų143.883%0.82584%0.844SS**  trans-77.7-147.2177.800000114.3
149P41.5Very low39.5Very low134 Ų134140.9 Ų140.987%0.8783%0.832SS**  cis-130.5171.1-12.137.4-18.7000114.1
150G38.7Very low39.9Very low70 Ų70135 Ų13572%0.72283%0.826SS**  trans-89.2178.1176.100000115
151P41.5Very low40.5Very low124 Ų124132.2 Ų132.281%0.80582%0.818SS**  trans-112.3122.3173.834.6-21.1000113
152H38Very low40.7Very low187 Ų187137.9 Ų137.987%0.86682%0.824SS**  trans-119.6135.6155.2-73.1-75.1000108.3
153P49Very low40.9Very low125 Ų125135.7 Ų135.781%0.81282%0.818SS**  trans-93.5125.5177.534-27000110.5
154M39.3Very low40.7Very low176 Ų176136.1 Ų136.187%0.86782%0.82SS**  trans-129.1117.8164.9-67.4-145.9118.300110.5
155L43.8Very low41Very low161 Ų161133.2 Ų133.284%0.84382%0.818SS**  trans30144.2149.9-59.9171.3000122.1
156P49.2Very low41.2Very low125 Ų125136.9 Ų136.981%0.81282%0.824SS**  trans-91.4130.2-177.435.3-29.5000112.5
157N38.4Very low41.9Very low152 Ų152138.4 Ų138.481%0.81382%0.818SS**  trans-148.8103.8162.7-163.663000113
158M44.5Very low42.3Very low177 Ų177141.7 Ų141.787%0.87282%0.817SS**  trans36.6118.3144.7-80.9179.6156.100123.4
159D39.5Very low43Very low128 Ų128146 Ų14668%0.68482%0.82SS**  trans78.4117.2132.3-151.3-14.5000122.1
160P48.3Very low43Very low123 Ų123143 Ų14380%0.79981%0.813SS**  trans-98.595.6173.537.1-28.2000113.2
161T48.2Very low43.9Very low121 Ų121145.7 Ų145.774%0.74282%0.818SS**  trans-136.975.5168.9430000113.3
162R38.4Very low44Very low243 Ų243148.8 Ų148.892%0.91782%0.824SS**  trans-169.4124.9150.9-148167.7177.4148.3-1.9114.4
163P50.3Low44.2Very low110 Ų110147 Ų14771%0.71482%0.816SS**  trans-100.3170.8165.336.6-28.1000112.4
164Q33.7Very low43.7Very low202 Ų202151.3 Ų151.394%0.94482%0.816SS**  trans107.3128.1172.9-64-171.3-45.700114.8
165G34.1Very low43.7Very low76 Ų76151 Ų15178%0.78482%0.815SS**  cis-177.7159.96.800000113
166H46.3Very low43.3Very low193 Ų193148.6 Ų148.689%0.89481%0.811SS**  trans-90.1149.6160.1-79.1-86.1000109.7
167P52.8Low43Very low118 Ų118146 Ų14677%0.76681%0.808SS**  -148.3131.9117.331.3-12.4000113
168N40Very low43.7Very low150 Ų150145.4 Ų145.480%0.80281%0.812SS**  93154.376.9-159.714.3000114.1
169L47.6Very low43.9Very low171 Ų171149.2 Ų149.290%0.89582%0.817SS**  trans107.8115.7-179.3-59.4175.1000112.3
170G41.2Very low43.6Very low70 Ų70146.5 Ų146.572%0.72282%0.819SS**  cis163.5168.39.900000109.2
171P58.9Low43.1Very low128 Ų128149.8 Ų149.883%0.83183%0.826SS**  trans-122.7163.3-137.740-28.3000118.4
172M41.7Very low42.6Very low189 Ų189147 Ų14793%0.93182%0.821SS**  trans-156.9100.9156.9-109.1179.4-17200109.6
173Q43.6Very low43.7Very low150 Ų150141 Ų14170%0.70181%0.814SS**  76.5106.587.5-75.2-78.2-15.200117
174R39Very low43.1Very low214 Ų214144.7 Ų144.781%0.80882%0.824SS**  trans61.2126.5144-70.2172.7-178.8-110.3-1.1119.1
175M37.6Very low43.5Very low171 Ų171138.5 Ų138.584%0.84281%0.814SS**  -163.1146.368.6-16178.5143.400112.3
176S36.7Very low44.1Very low109 Ų109141.3 Ų141.376%0.76282%0.819SS**  trans-67.6145.8176.441.10000115.5
177G42.5Very low43.6Very low72 Ų72135.7 Ų135.774%0.74281%0.813SS**  trans-79.3-155.9177.400000115.4
178P52.7Low43.4Very low139 Ų139135.9 Ų135.990%0.90382%0.815SS**  trans-137.9153.5142.836.5-21.2000115.1
179R48.3Very low43.2Very low257 Ų257138.5 Ų138.597%0.9782%0.822SS**  trans-100.1148175.2-178.5-178.1-169.8166.72.5108.1
180G33.5Very low42.6Very low71 Ų71136.7 Ų136.773%0.73281%0.813SS**  trans148.7148.2165.400000111.6
181M37Very low42.4Very low191 Ų191143 Ų14394%0.94182%0.821SS**  cis-168.3137.94.9-110.7166.796.200104.4
182G39.5Very low41.3Very low63 Ų63140.3 Ų140.365%0.64982%0.816SS**  trans-88.6-174.9144.800000108.1
183P61Low41.1Very low118 Ų118135.5 Ų135.577%0.76682%0.815SS**  cis-125.6-178.9-23.238.3-21.4000111.8
184M37.8Very low41.1Very low186 Ų186131.7 Ų131.792%0.91682%0.816SS**  trans161.8129.1141-92.4-179.3-68.700112.2
185G41Very low41.3Very low72 Ų72131.2 Ų131.274%0.74283%0.826SS**  trans-73.7-168169.600000113.3
186P47.4Very low41.7Very low135 Ų135134.3 Ų134.388%0.87783%0.828SS**  cis-137173.141.531.1-7.3000116.2
187G36.6Very low42.8Very low76 Ų76134.3 Ų134.378%0.78483%0.826SS**  trans-74.6-148-169.300000117.8
188P47.1Very low43.2Very low122 Ų122137.2 Ų137.279%0.79283%0.832SS**  cis-133.7166-140.5-23.4000115.6
189Q37.3Very low42.7Very low204 Ų204139.6 Ų139.695%0.95383%0.83SS**  trans-177.5139.6132.7-97.2167.327.900111.4
190N34.4Very low42.8Very low133 Ų133135 Ų13571%0.71183%0.825SS**  trans-93.7145.9-161.6-173.723.9000111.6
191F36.7Very low42.7Very low203 Ų203136.1 Ų136.189%0.8983%0.827SS**  trans176.9104.2131.7-103.1-77.2000111.4
192G35Very low42.6Very low71 Ų71136.2 Ų136.273%0.73283%0.828SS**  trans53112.1154.600000119.5
193G37.8Very low42.6Very low88 Ų88136.6 Ų136.691%0.90783%0.831SS**  68.411250.700000109.8
194G44.5Very low42.1Very low70 Ų70137.6 Ų137.672%0.72284%0.838SS**  cis128.5131.526.900000107.8
195M43.3Very low41.9Very low205 Ų205132.4 Ų132.4100%1.0183%0.832SS**  trans81.5143.7158.7-48.4-176.1-173.700120.2
196R44.9Very low41.8Very low235 Ų235138 Ų13889%0.88784%0.841SS**  trans-98.2-175.9-176.7-168.9177.9175.2-154.1-0.2109.4
197P60Low41.5Very low110 Ų110136.8 Ų136.871%0.71483%0.833SS**  -106-169.8-67.840.4-24.5000112.6
198P51.9Low41.5Very low133 Ų133136.5 Ų136.586%0.86483%0.83SS**  -154.5-170.485.840.6-18000117.3
199H41.9Very low41.1Very low188 Ų188138 Ų13887%0.8784%0.837SS**  trans-66.9160.8-169.9-128.468.5000117.8
200N49.2Very low41.2Very low160 Ų160135.7 Ų135.786%0.85683%0.831SS**  trans-45.1135.1169.1-101.917.6000114.9
201A32.4Very low41.3Very low95 Ų95138.4 Ų138.479%0.78584%0.842SS**  trans180131.8143.300000115.7
202M35.3Very low41.6Very low194 Ų194131.2 Ų131.296%0.95683%0.825SS**  trans95.2132140.7-126.174.1161.300122.6
203G39.6Very low42Very low70 Ų70134 Ų13472%0.72283%0.83SS**  trans-72.8-148-175.200000117.4
204P50.3Low41.9Very low140 Ų140133 Ų13391%0.90982%0.819SS**  cis-151.3168.733.440.7-18.5000120
205G34.2Very low41.5Very low76 Ų76136.9 Ų136.978%0.78483%0.829SS**  trans133112.814100000122.8
206M37.9Very low41Very low190 Ų190131 Ų13194%0.93682%0.821SS**  trans99.3148150.1-80.2-119.8150.600122.7
207P41.3Very low40.7Very low110 Ų110131.5 Ų131.571%0.71482%0.823SS**  -129163.8-124.442.7-27.7000117.7
208G36.2Very low40.5Very low70 Ų70131.1 Ų131.172%0.72282%0.821SS**  trans85.5108.5144.200000119
209V39.2Very low39.3Very low154 Ų154136.1 Ų136.193%0.93382%0.822SS**  -161.2126.7121.6-89.70000110.2
210N38.6Very low39.5Very low155 Ų155132.2 Ų132.283%0.82981%0.814SS**  trans-85.7130.1172.1167.336.2000109
211M37.2Very low39.1Very low190 Ų190131.4 Ų131.494%0.93681%0.809SS**  trans-151.799.7148.9-138.5169.1-173.100109.5
212G41.8Very low39.4Very low52 Ų52132.2 Ų132.254%0.53681%0.806SS.*  trans-67.5173.5155.700000111.2
213P43.5Very low39.2Very low130 Ų130129.5 Ų129.584%0.84480%0.796SS**  -129.1141.566.931.9-16.3000112.1
214G35.8Very low38.9Very low66 Ų66133.3 Ų133.368%0.6880%0.8SS**  68.994.973.600000108.7
215T36.7Very low38Very low151 Ų151130.3 Ų130.393%0.92679%0.787SS**  -167128.981.941.40000109.3
216G32.2Very low38.2Very low81 Ų81134.1 Ų134.184%0.83579%0.789SS**  129.6134.5103.900000111
217R39.4Very low37.9Very low246 Ų246131.9 Ų131.993%0.92879%0.787SS**  trans-80.4168.6-165.6-76.4171.4174.4-100.61.7114.8
218P55.8Low37.9Very low103 Ų103135.2 Ų135.267%0.66980%0.795SS**  trans-91.5175.3-17837-34.2000114.8
219W26.7Very low38Very low238 Ų238137.8 Ų137.890%0.90280%0.799SS**  trans106.9152.8169.2-61.8107.6000117
220P46.5Very low37.6Very low106 Ų106140.7 Ų140.769%0.68879%0.794SS**  cis-118.4164.4-49.922.4-1.9000113.1
221N40.3Very low37.3Very low143 Ų143138.8 Ų138.877%0.76579%0.793SS**  trans-46147.3170.4-169.740.2000114.6
222P39.2Very low37.2Very low111 Ų111134.4 Ų134.472%0.72178%0.781SS**  -139.8153.7119.136-21.8000114.6
223N31.4Very low37Very low138 Ų138138.2 Ų138.274%0.73880%0.797SS**  trans83108.6166.7-89.10.1000120.1
224N33.8Very low36.3Very low149 Ų149137.5 Ų137.580%0.79779%0.794SS**  65.2142108.4-1448000120
225A29.7Very low36.7Very low78 Ų78140.1 Ų140.165%0.64580%0.8SS**  trans83.7105167.800000118.4
226N39.3Very low36.6Very low156 Ų156136.8 Ų136.883%0.83480%0.795SS**  trans37.6111.2134.2-69-31.7000118
227T32.2Very low36.5Very low143 Ų143137.8 Ų137.888%0.87780%0.795SS**  trans-172.6104.3131.823.40000109.5
228M39.7Very low36.4Very low180 Ų180138 Ų13889%0.88780%0.798SS**  trans-76.6135160.9-66.4-149.5-169.600108.5Y230M228-Y230 PolarHBondContact O-N 2.91Å
229P39Very low35.4Very low123 Ų123136.8 Ų136.880%0.79980%0.804SS**  trans-73.9102.8175.727.7-30.2000110.1S231P229-S231 PolarHBondContact O-N 2.82Å
230Y31.2Very low35.7Very low215 Ų215129.1 Ų129.184%0.84380%0.799SS**  trans-63116.9156.5-117.8-97.7000107.7M228M228-Y230 PolarHBondContact O-N 2.91Å
231S32.1Very low35.5Very low115 Ų115129 Ų12980%0.80481%0.807SS**  trans-10693.7164.8-69.30000109P229P229-S231 PolarHBondContact O-N 2.82Å
232S34.8Very low35.4Very low98 Ų98128.1 Ų128.169%0.68581%0.812SS**  trans-78.2145.7162.2-51.60000109.7
233P38.8Very low35.4Very low133 Ų133127 Ų12786%0.86482%0.82SS**  trans-117.9132.9152.118.20.1000111.3
234S27.7Very low35.7Very low114 Ų114124.4 Ų124.480%0.79783%0.826SS**  trans-142.1163.9169.6-155.40000107.1
235P45.5Very low35.8Very low122 Ų122121.5 Ų121.579%0.79283%0.832SS**  -123158.5-67.335.6-22.4000112.5
236G32.8Very low36.5Very low81 Ų81121.2 Ų121.284%0.83584%0.836SS**  trans106.4107.6152.400000118.2
237A31.6Very low36.8Very low101 Ų101119.9 Ų119.984%0.83584%0.836SS**  trans-150.210815000000109
238Y37.7Very low37.5Very low252 Ų252119.4 Ų119.499%0.98884%0.836SS**  trans-66.7125167.9-79.1-96.7000109.3
239G33.7Very low37.6Very low76 Ų76114.4 Ų114.478%0.78483%0.83SS**  trans-175.4122.9173.800000110.4
240G33.1Very low37.9Very low78 Ų78114.1 Ų114.180%0.80483%0.826SS**  trans-79.9169.4-159.300000118
241A42.7Very low38.3Very low104 Ų104110.2 Ų110.286%0.8683%0.827SS**  trans15.8115.4156.200000119.5
242S37.7Very low39.3Very low124 Ų124111.9 Ų111.987%0.86783%0.825SS**  trans-167.1130.2132.4370000109.4
243G39.6Very low39.8Very low86 Ų86114.8 Ų114.889%0.88783%0.83SS**  trans-82.1167.2-173.800000114.3
244G36.6Very low40.5Very low84 Ų84113.9 Ų113.987%0.86682%0.824SS**  trans149.9103.2159.400000115.6
245G37.2Very low41Very low89 Ų89113.5 Ų113.592%0.91882%0.821SS**  trans83.592.2137.700000119.3
246G44.7Very low41.2Very low71 Ų71113.8 Ų113.873%0.73282%0.823SS**  trans-115.6150.516000000111.8
247P43.8Very low41.7Very low128 Ų128113.7 Ų113.783%0.83182%0.815SS**  trans-72.4156.4-165.729.7-35.1000114.4
248P47.6Very low42.3Very low134 Ų134116.9 Ų116.987%0.8782%0.818SS**SBendtrans-87.7129.3-168.234.4-30.4000111.3
249G43Very low42.4Very low75 Ų75110.3 Ų110.377%0.77381%0.809SS**  trans160.3-5165.800000120.2
250T43.4Very low43.2Very low117 Ų117114.4 Ų114.472%0.71881%0.813SS**  trans-127.6129.6175.755.40000110.8I252T250-I252 PolarHBondContact O-N 2.81Å
251P41.5Very low43.7Very low132 Ų132117.8 Ų117.886%0.85781%0.812SS**  trans-71.2104.6168.828.3-28.9000107.7M253P251-M253 PolarHBondContact O-N 2.85Å
252I52.4Low43.8Very low150 Ų150117 Ų11777%0.76980%0.8SS**  trans-69.8107.3167.5-60.9176.8000106.3T250T250-I252 PolarHBondContact O-N 2.81Å
253M44Very low44.6Very low160 Ų160114.8 Ų114.879%0.78880%0.797SS**PPolyproline II helixtrans-58.1132163.9-102.5-17962.500108.4P251 S255P251-M253 PolarHBondContact O-N 2.85Å; M253-S255 PolarHBondContact O-N 3.36Å
254P53.6Low45.1Very low113 Ų113117 Ų11773%0.73479%0.789SS**PPolyproline II helixtrans-64.8120.5167.426.3-29.6000108
255S39.2Very low45.8Very low106 Ų106120 Ų12074%0.74179%0.785SS**PPolyproline II helixtrans-53.3135.5163.6-62.30000108.6M253 A257M253-S255 PolarHBondContact O-N 3.36Å; S255-A257 PolarHBondContact O-N 3.07Å
256P49.5Very low46.4Very low128 Ų128123.6 Ų123.683%0.83178%0.782SS**  trans-59.2111171.7-19.631.2000108.6
257A42.7Very low46.3Very low80 Ų80131.1 Ų131.166%0.66179%0.79SS**  trans-62.8141.8169.100000109.3S255 S259S255-A257 PolarHBondContact O-N 3.07Å; A257-S259 PolarHBondContact O-N 3.03Å
258D45.2Very low46.5Very low168 Ų168131 Ų13190%0.89879%0.787SS**  trans-27.1102.8172.6-56.3-66.3000113.9
259S39.5Very low46.3Very low114 Ų114132.7 Ų132.780%0.79779%0.785SS**  trans-9994.3165.2-71.60000109A257 N261A257-S259 PolarHBondContact O-N 3.03Å; S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.25Å
260N51Low46.8Very low162 Ų162136.6 Ų136.687%0.86679%0.787SS**  trans-66.987159.7-172.233.5000108.3
261N42.9Very low46.6Very low149 Ų149138.3 Ų138.380%0.79779%0.792SS**  trans-139.9119.5161.9-163.13.9000110.5S259S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.25Å
262S43.8Very low46.6Very low87 Ų87139.2 Ų139.261%0.60880%0.795SS**  trans-72.4127.5-165.9-48.30000113.4D264S262-D264 PolarHBondContact O-N 3.03Å; S262-D264 VanDerWaalsContact O-N 3.17Å
263G55Low45.8Very low77 Ų77134.4 Ų134.479%0.79478%0.783SS**SBend80.4-21.494.800000122.3
264D51.6Low45.8Very low133 Ų133133.5 Ų133.571%0.71179%0.789SS**  trans-124.94.2-159-66.4-50.6000118.8S262S262-D264 PolarHBondContact O-N 3.03Å; S262-D264 VanDerWaalsContact O-N 3.17Å
265N49.6Very low45Very low147 Ų147131.5 Ų131.579%0.78679%0.788SS**SBendtrans-110.710.4-174-79.3-31.2000117.2
266L49.9Very low45.2Very low164 Ų164133.4 Ų133.486%0.85979%0.79SS**SBendtrans-99.2-8.4179.7-9996.1000116.1
267Y42.2Very low44.8Very low230 Ų230139.3 Ų139.390%0.90280%0.796SS**SBendtrans-94.2-3.5-178.1-89.5-78.7000115.6
268T49.2Very low44.6Very low124 Ų124142.3 Ų142.376%0.76180%0.801SS**SBendtrans-105.2-2.8-173.2-24.60000114.8
269M43.3Very low44.1Very low171 Ų171139.8 Ų139.884%0.84279%0.787SS**SBendtrans-1010.6-175.8-146.4176.1-70.500114.8
270I52.8Low43.8Very low157 Ų157143.6 Ų143.681%0.80579%0.79SS**SBendtrans-117.472.4175.2-58.2171.4000108.6
271N39.7Very low44Very low153 Ų153140.4 Ų140.482%0.81878%0.778SS**  trans-163.366.4149.3-137.63.8000112.5G273N271-G273 PolarHBondContact O-N 3.43Å; N271-G273 VanDerWaalsContact O-N 3.13Å
272T42.3Very low43.8Very low150 Ų150142.6 Ų142.692%0.9279%0.786SS**  trans-82.776.4161.248.30000109.1
273G35.6Very low43.5Very low50 Ų50142 Ų14252%0.51579%0.793SS.*  trans-101.2147.7161.900000110.2N271N271-G273 PolarHBondContact O-N 3.43Å; N271-G273 VanDerWaalsContact O-N 3.13Å
274P43.3Very low43.2Very low141 Ų141145 Ų14592%0.91680%0.799SS**  trans-79.6126.3-163.832.5-32.3000111
275G35.8Very low42.4Very low70 Ų70141.8 Ų141.872%0.72280%0.797SS**  trans170.192.117600000115.7
276N44.5Very low42Very low147 Ų147139.6 Ų139.679%0.78679%0.794SS**  trans28.6107134.4-165.830.4000118.2
277R40Very low41.6Very low252 Ų252139.7 Ų139.795%0.95180%0.795SS**  trans-152.5102.6149.2-114172.4-168.5171.33.5111.6
278N39.6Very low41.3Very low142 Ų142132.4 Ų132.476%0.75979%0.79SS**  trans-80.7153.2163.9-75.7-33.8000111.2
279N35.4Very low41.1Very low116 Ų116132.1 Ų132.162%0.6279%0.79SS**  trans81.9131.5160-123.247.8000117
280F31.5Very low41Very low193 Ų193132.5 Ų132.585%0.84680%0.795SS**  -145.216655.2-86.3-89.6000115.9
281P56.2Low40.5Very low96 Ų96128.9 Ų128.962%0.62380%0.795SS**  trans-112.5159.8-154.341.2-31.5000115.2
282M38.5Very low40.6Very low194 Ų194126.6 Ų126.696%0.95680%0.798SS**  trans-152.2116.3150.3-83.4-155.6-82.500109.6
283G36.8Very low40.6Very low74 Ų74128.8 Ų128.876%0.76380%0.8SS**  trans-99.2-157.7160.100000110.2
284P48.6Very low40.7Very low141 Ų141131.2 Ų131.292%0.91682%0.815SS**  cis-122.6168.6-29.537.3-21.7000112.5
285G35.3Very low40.6Very low65 Ų65127.9 Ų127.967%0.6781%0.807SS**  trans16295.316900000111.4
286S41.8Very low40.8Very low102 Ų102134.1 Ų134.171%0.71382%0.82SS**  72.9104.494.366.70000113.9
287D40.7Very low40.3Very low166 Ų166134 Ų13489%0.88881%0.814SS**  150.6110.8129.9-71.2-30.3000113.4
288G36.3Very low40.7Very low77 Ų77126.9 Ų126.979%0.79480%0.801SS**  trans152.4127.3164.100000115.4
289P45.4Very low40.9Very low118 Ų118127.7 Ų127.777%0.76680%0.8SS**  trans-107.1163.9-148.440.9-33.8000116.3
290L40.7Very low41.3Very low179 Ų179129.7 Ų129.794%0.93781%0.805SS**  trans94.9117.4159.8-62.7158.1000118.6
291G43.2Very low42.1Very low80 Ų80129.5 Ų129.583%0.82581%0.809SS**  trans141.879.9152.200000115.5
292A41.9Very low41.4Very low106 Ų106132.4 Ų132.488%0.87682%0.819SS**  trans-61.3133176.300000114
293M42.2Very low41.3Very low195 Ų195126.7 Ų126.796%0.96181%0.811SS**  trans-156.4122139.6-153160.6165.500110.5
294A37.7Very low41.5Very low101 Ų101127.8 Ų127.884%0.83581%0.806SS**  trans-88148.8-171.200000113
295G40.3Very low41.3Very low72 Ų72129.3 Ų129.374%0.74281%0.806SS**  trans88.6105137.600000118.3
296M40.3Very low41.2Very low201 Ų201130 Ų13099%0.9981%0.814SS**  -176.1132.1112.9-98167173.900111.4
297E34.7Very low41.4Very low144 Ų144130.6 Ų130.667%0.67382%0.818SS**PPolyproline II helixtrans-72153.9-168.7-172.4178.8122.200114.3H299E297-H299 IonicContact OE1-CE1 3.76Å; E297-H299 PolarHBondContact OE1-CE1 3.03Å; E297-H299 IonicContact OE1-ND1 2.97Å; E297-H299 IonicContact OE1-NE2 3.23Å
298P46.9Very low41.4Very low103 Ų103126.2 Ų126.267%0.66981%0.811SS**PPolyproline II helixtrans-91120.2176.433.6-28.2000111.8H300P298-H300 PolarHBondContact O-CE1 3.38Å
299H45.4Very low42Very low158 Ų158129.6 Ų129.673%0.73181%0.811SS**PPolyproline II helixtrans-103.3121173.5-68.9-54.2000112.8E297E297-H299 IonicContact OE1-CE1 3.76Å; E297-H299 PolarHBondContact OE1-CE1 3.03Å; E297-H299 IonicContact OE1-ND1 2.97Å; E297-H299 IonicContact OE1-NE2 3.23Å
300H43.7Very low42.3Very low158 Ų158132.8 Ų132.873%0.73182%0.818SS**PPolyproline II helixtrans-89.4128.8168.424.2-90.8000108.9P298P298-H300 PolarHBondContact O-CE1 3.38Å
301M48.4Very low42.7Very low190 Ų190132.1 Ų132.194%0.93682%0.815SS**  trans-130.9116.1168-146.785.418000110.3
302N40.7Very low42.8Very low156 Ų156131.8 Ų131.883%0.83481%0.812SS**  trans-68.2144.1168.9178.819.6000110.9
303G37.3Very low42.7Very low75 Ų75135.5 Ų135.577%0.77381%0.813SS**  trans-165128.6171.900000111.3
304S40.3Very low42.7Very low96 Ų96131.8 Ų131.867%0.67181%0.807SS**  trans-124.4160.9-152-174.20000112.6
305L44.1Very low42.8Very low173 Ų173136.4 Ų136.491%0.90681%0.808SS**  trans86.3126.4158.6-51.8179.1000120.7
306G33.4Very low42.5Very low81 Ų81140.5 Ų140.584%0.83581%0.813SS**  trans170.779.9160.500000114
307S46.4Very low42.6Very low114 Ų114135.8 Ų135.880%0.79780%0.799SS**  trans-70.9148.7170.7-179.80000111.8
308G40.8Very low43.3Very low73 Ų73134.9 Ų134.975%0.75381%0.806SS**  trans-172.368.2176.800000112.3
309D48.5Very low43Very low148 Ų148137.2 Ų137.279%0.79181%0.813SS**  trans-68.9123.5159.3-59.6-66.7000109
310M51Low42.5Very low186 Ų186136.7 Ų136.792%0.91682%0.816SS**  trans-164.6134.9145.8-104.3-156.5-131.600112.1
311D49.4Very low42.3Very low164 Ų164136 Ų13688%0.87782%0.817SS**  trans-63.4152.5-171.3-53.4-92.8000115.5
312G44.7Very low41.8Very low73 Ų73132.1 Ų132.175%0.75381%0.808SS**  trans165.142.9163.800000118.4
313M40.3Very low41.8Very low184 Ų184128 Ų12891%0.90680%0.802SS**  trans-137.497.4163.5-66.2-178.6-178.100111.5K315M313-K315 PolarHBondContact O-N 3.17Å
314S42.1Very low42.2Very low117 Ų117132.1 Ų132.182%0.81881%0.805SS**  trans-57.496.9166.330.80000111.2N316S314-N316 PolarHBondContact O-N 3.36Å
315K40.5Very low42.1Very low199 Ų199133.2 Ų133.287%0.86581%0.812SS**  trans-84.292.2157.2-73.2-175.9179.2176.80108.2M313 S317M313-K315 PolarHBondContact O-N 3.17Å; K315-S317 PolarHBondContact O-N 3.05Å
316N33.5Very low41.9Very low158 Ų158132.1 Ų132.185%0.84581%0.807SS**  trans-60.3105.9161.4-82.5-2.6000108.8S314S314-N316 PolarHBondContact O-N 3.36Å
317S41.9Very low42.7Very low101 Ų101133.5 Ų133.571%0.70680%0.802SS**  trans-90.7159.4144.7-110.90000108K315K315-S317 PolarHBondContact O-N 3.05Å
318P50.1Low42.8Very low126 Ų126134.7 Ų134.782%0.81881%0.807SS**  -138.2139102.132.7-17.7000114.9
319N40.4Very low42.6Very low151 Ų151134.5 Ų134.581%0.80781%0.805SS**  trans-33.9150154.1-78.9-25.9000114.7
320N35.6Very low42.5Very low148 Ų148133.6 Ų133.679%0.79181%0.805SS**  -151.7141.9120.4-145-27.6000113.4
321L38.8Very low42.3Very low144 Ų144131.3 Ų131.375%0.75480%0.804SS**  trans88.369161.1-112.261.8000120.4
322S39.1Very low42.1Very low108 Ų108134.3 Ų134.376%0.75580%0.803SS**  48127110.364.90000121.1
323G40.4Very low42.3Very low68 Ų68137.8 Ų137.870%0.70180%0.804SS**  128.8110.8127.900000116.3
324I45.2Very low42.3Very low163 Ų163136.4 Ų136.484%0.83680%0.801SS**  trans90.784.7153.4-57.2148.3000115.6
325S38.8Very low42.1Very low118 Ų118134.5 Ų134.583%0.82580%0.799SS**  trans-67129148-45.90000109.5
326N40Very low42.3Very low150 Ų150134.2 Ų134.280%0.80280%0.801SS**  trans-130.4127.3155.9-11729.7000108.1
327P49.8Very low42.7Very low110 Ų110134.4 Ų134.471%0.71480%0.801SS**  trans-79165177.233.1-32.9000111.7G329P327-G329 PolarHBondContact O-N 3.13Å
328P47.1Very low42.4Very low139 Ų139135 Ų13590%0.90381%0.805SS**  trans-79.9117.2-172.731.6-30.6000110.5
329G37.7Very low41.8Very low69 Ų69132 Ų13271%0.71180%0.798SS**  trans-140.6128.3176.300000110.7P327P327-G329 PolarHBondContact O-N 3.13Å
330T45.6Very low41.4Very low130 Ų130131.8 Ų131.880%0.79880%0.796SS**  trans-53.6141.8176.750.20000113.5R332T330-R332 PolarHBondContact O-N 2.97Å
331P48.4Very low41.5Very low137 Ų137133.7 Ų133.789%0.8980%0.798SS**  trans-80.5115.6163.6-523.4000109.6
332R44.7Very low41.7Very low228 Ų228133.8 Ų133.886%0.8680%0.799SS**  trans-92.6130.2167.5-172.6173.1178.9152.6-0.6107T330T330-R332 PolarHBondContact O-N 2.97Å
333D47.6Very low41.6Very low146 Ų146136.2 Ų136.278%0.78180%0.798SS**  trans-47.8141.2165.6-118.3-84.9000111.1
334D42.1Very low41.2Very low155 Ų155137.9 Ų137.983%0.82980%0.798SS**  trans163.9130.1138.4-84.7-40.6000111.5
335G36.4Very low40.8Very low77 Ų77138.1 Ų138.179%0.79479%0.794SS**  trans116.682.1134.900000118.3
336E45.3Very low40.8Very low192 Ų192141.4 Ų141.490%0.89780%0.796SS**  trans-42.4145.1155.3-61.8172.899.600113.3
337L41.5Very low40.7Very low163 Ų163139 Ų13985%0.85379%0.791SS**  trans-167.2114.3139.3-102153.6000111.3
338S35.7Very low40.2Very low112 Ų112142.3 Ų142.378%0.78380%0.797SS**  trans59.9107.3148.3610000117.3
339G37.7Very low39.6Very low65 Ų65142.5 Ų142.567%0.6779%0.79SS**  cis100.3123.548.800000108.8
340N32.6Very low39.5Very low145 Ų145150.7 Ų150.778%0.77580%0.802SS**  trans174.1109.3143.7-90.5-5.3000115.5
341F37Very low39.3Very low189 Ų189149 Ų14983%0.82980%0.795SS**  trans81.4136.3141.3-62-73000123.6
342L42.3Very low39.4Very low146 Ų146148.1 Ų148.176%0.76479%0.789SS**  trans-86.6164.8-167.7-84.5156.2000116
343H37.7Very low39.4Very low158 Ų158144 Ų14473%0.73179%0.79SS**  trans77142159.3-65.6130000117.3
344S32.2Very low39.3Very low103 Ų103145.6 Ų145.672%0.7280%0.795SS**  cis-159.1156.631.5-167.10000112.9
345F36Very low39.8Very low169 Ų169144.2 Ų144.274%0.74179%0.792SS**  trans-31.8132.4161.9-57.7-95.4000116
346Q39.8Very low40.1Very low186 Ų186149.3 Ų149.387%0.86980%0.797SS**  trans-131.791.2143.9-79.6-169-10.200109
347S37.2Very low40.3Very low100 Ų100145.4 Ų145.470%0.69979%0.791SS**  trans-81.5112.4155.750.20000108.4
348E39.7Very low40.8Very low179 Ų179148.2 Ų148.284%0.83682%0.815SS**  trans-131.4112.5156-80.5-170.796.700110.7
349N35Very low41Very low143 Ų143150.1 Ų150.177%0.76582%0.816SS**  trans-28.8134.8162.6-81.9-93.8000115.9
350Y36Very low41.2Very low242 Ų242154.5 Ų154.595%0.94982%0.824SS**  trans-145.5121.7133.8-118.9-88.8000110.1
351S39.7Very low41.7Very low94 Ų94155.1 Ų155.166%0.65783%0.827SS**  trans-85.1163.6-175-107.20000113.3
352P51.8Low42Very low118 Ų118153.1 Ų153.177%0.76683%0.827SS**  trans-81.6129.6-173.633.4-31.6000111.6M354P352-M354 PolarHBondContact O-N 3.37Å
353T44.3Very low41.9Very low142 Ų142153.5 Ų153.587%0.87183%0.831SS**  trans-86.6103173.5-32.10000109.9
354M44.2Very low42.2Very low180 Ų180153.2 Ų153.289%0.88784%0.837SS**  trans-63.4126.7159.1-79.8167.8154.500109.3P352P352-M354 PolarHBondContact O-N 3.37Å
355T52.6Low42.9Very low126 Ų126156.8 Ų156.877%0.77385%0.846SS**  trans-104.8110.6160.5173.70000108.6
356M43Very low43.5Very low183 Ų183155.8 Ų155.890%0.90185%0.854SS**  trans-82.1124.1160.6-86.7-99.6178.700107
357S49.9Very low43.8Very low111 Ų111153.3 Ų153.378%0.77685%0.852SS**  trans-87.3136.4165.2-660000109.4
358V51.8Low44.4Very low222 Ų222158.2 Ų158.2100%1.34587%0.866SS**  trans-620-179-93.30000114.7

Retrieved 358 of 358 residues in 362.2 ms (Link to these results)