A0A087XUG7_POEFO Loading...

Transmembrane protein 200C

AlphaFold DB , UniProt , Accession A0A087XUG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 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
1M50.3Low47.8Very low245 Ų245146.2 Ų146.2100%1.20783%0.834SS**  0151.80-71.5163.768.500108.7
2I42.7Very low47.6Very low164 Ų164141.7 Ų141.784%0.84183%0.828SS**  trans-111.5126.2-179.5-63.8169000109T4I2-T4 HydrophobicContact CG2-CG2 4.03Å
3A49.3Very low47.4Very low88 Ų88149.6 Ų149.673%0.72784%0.835SS**  trans-164.5113.6150.800000106.5
4T51.8Low47.3Very low129 Ų129154.6 Ų154.679%0.79184%0.835SS**  55.8107.559.974.30000113I2I2-T4 HydrophobicContact CG2-CG2 4.03Å
5G49.2Very low47Very low78 Ų78157.2 Ų157.280%0.80484%0.839SS**  cis176.4164.7-600000113.2
6G52Low46.6Very low81 Ų81156.3 Ų156.384%0.83584%0.835SS**  trans-94134.2162.900000109.9
7L43Very low46.1Very low157 Ų157154.1 Ų154.182%0.82283%0.834SS**  trans-142.8112.4177.8-163.170.3000112.8
8L48.5Very low46.1Very low129 Ų129155.1 Ų155.168%0.67584%0.838SS**  trans28.2122.9147.2-56.5170.5000120.2
9R48.4Very low45.5Very low236 Ų236159.3 Ų159.389%0.89184%0.841SS**  -167.699.7106.8-98151-176.2-173.40.9109.4
10I48.3Very low45.1Very low134 Ų134156.1 Ų156.169%0.68783%0.832SS**  75.1116.390.8-70.4166.5000112.1
11N42.2Very low44.7Very low167 Ų167158.6 Ų158.689%0.89384%0.835SS**  trans-63136.9171.3-82.2-70000111.3
12A45.8Very low44.4Very low92 Ų92152.8 Ų152.876%0.7682%0.816SS**  trans-128.7100.1172.800000111.6
13R44.4Very low44.1Very low245 Ų245153.1 Ų153.193%0.92581%0.814SS**  trans52.1120.5152.3-57.7-175.9-178.8-145.9-3118.9
14R45.7Very low43.4Very low220 Ų220159.3 Ų159.383%0.8382%0.818SS**  trans-52.9139.8151.5-64.7171.3173.2-94.61.3109.9
15Q44.1Very low42.5Very low193 Ų193157.9 Ų157.990%0.90281%0.813SS**  trans-140.498152-116.1-174.4-35.100108.6S17Q15-S17 PolarHBondContact O-N 2.95Å
16D39.5Very low42Very low143 Ų143162 Ų16277%0.76581%0.811SS**  trans-74.1115.9167.7-70.4-76.6000108.7
17S39.1Very low41.6Very low118 Ų118163.9 Ų163.983%0.82581%0.809SS**  trans-153.3121.6162.3-167.60000111.3Q15Q15-S17 PolarHBondContact O-N 2.95Å
18L45.8Very low41.6Very low172 Ų172165 Ų16590%0.90181%0.81SS**  trans-84.6115.6-179-65.4163.3000110.7
19R35.2Very low41.7Very low236 Ų236168.9 Ų168.989%0.89182%0.821SS**  trans-163142.6147.2-130.8167.6175.6-135.91.4117.6
20S36.8Very low41.8Very low95 Ų95167 Ų16766%0.66482%0.82SS**  trans59.394.7147.552.60000122
21K37.3Very low41.8Very low208 Ų208170.4 Ų170.490%0.90483%0.829SS**  72.8158.4126.9-90.3158174.3170.30119.4
22P43.8Very low41.9Very low123 Ų123166.7 Ų166.780%0.79982%0.817SS**  trans-105.7156.7-146.439.1-36.8000116
23H35.5Very low42Very low172 Ų172172.3 Ų172.380%0.79682%0.824SS**  trans-137.8161.8158.3-169-101.3000112.2
24R35.1Very low41.9Very low217 Ų217167 Ų16782%0.81981%0.814SS**  trans-73141.1-169-62.1162160.3175.1-5.6114.6
25S32.6Very low41.6Very low99 Ų99164 Ų16469%0.69281%0.807SS**  173.5161.812270.70000109.9
26H39.9Very low41.8Very low164 Ų164163.4 Ų163.476%0.75980%0.796SS**  cis-129.7152.9-12.6-75.4-88000109.1
27P42.4Very low41.8Very low122 Ų122164.8 Ų164.879%0.79279%0.791SS**  trans-76.3131.1177.830.2-34.2000113.3K29P27-K29 PolarHBondContact O-N 3.13Å
28H43.1Very low42.2Very low180 Ų180165.4 Ų165.483%0.83380%0.795SS**  trans-64.8131175.7-74.9-103.6000112.3K30H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.38Å
29K50.3Low41.5Very low210 Ų210163.5 Ų163.591%0.91378%0.781SS**  trans-70.677.3174.7-71.9180177.3172.70112.3P27 K31P27-K29 PolarHBondContact O-N 3.13Å; K29-K31 PolarHBondContact O-N 3.36Å
30K50.3Low42Very low198 Ų198159.2 Ų159.286%0.86178%0.781SS**  trans-6894.4163-76.8-172.4176.1-179.50109.2H28 S32H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.38Å; K30-S32 PolarHBondContact O-N 3.06Å
31K49.3Very low41.9Very low204 Ų204158.4 Ų158.489%0.88777%0.772SS**  trans-70.385.3179.6-171.7178.8-176.8-179.30109.9K29 K33K29-K31 PolarHBondContact O-N 3.36Å; K31-K33 PolarHBondContact O-N 2.74Å; K31-K33 VanDerWaalsContact O-N 3.1Å
32S43.2Very low42.3Very low90 Ų90155.1 Ų155.163%0.62977%0.769SS**  trans-60.6114.7178.661.60000110K30 N34K30-S32 PolarHBondContact O-N 3.06Å; S32-N34 VanDerWaalsContact CB-OD1 3.29Å; S32-N34 WeakPolarHBondContact CB-OD1 3.18Å; S32-N34 PolarHBondContact O-N 2.92Å; S32-N34 PolarHBondContact O-OD1 3.33Å; S32-N34 PolarHBondContact OG-OD1 3.44Å
33K49.6Very low41.9Very low209 Ų209154.7 Ų154.791%0.90976%0.764SS**  trans-77.475.8177.9-167.9174.6-176.5178.30107.9K31 K35K31-K33 PolarHBondContact O-N 2.74Å; K31-K33 VanDerWaalsContact O-N 3.1Å; K33-K35 PolarHBondContact O-N 2.74Å
34N40.5Very low42.4Very low135 Ų135155.2 Ų155.272%0.72276%0.764SS**  trans-57.7101.7-171.5-76.620000110.8S32 R36S32-N34 VanDerWaalsContact CB-OD1 3.29Å; S32-N34 WeakPolarHBondContact CB-OD1 3.18Å; S32-N34 PolarHBondContact O-N 2.92Å; S32-N34 PolarHBondContact O-OD1 3.33Å; S32-N34 PolarHBondContact OG-OD1 3.44Å; N34-R36 PolarHBondContact O-N 2.75Å
35K39.8Very low43Very low157 Ų157147.7 Ų147.768%0.68375%0.754SS**  trans-58.9121.8178.3-171.7175.1-172.2170.20108.5K33 R37K33-K35 PolarHBondContact O-N 2.74Å; K35-R37 HydrophobicContact CG-CG 4.47Å; K35-R37 PolarHBondContact O-N 3.02Å
36R49.7Very low43.7Very low180 Ų180152.2 Ų152.268%0.67976%0.761SS**  trans-59.7110.3171.4-74.3162168.4-10219.3108.6N34 D197N34-R36 PolarHBondContact O-N 2.75Å; R36-D197 IonicContact CZ-OD1 3.85Å; R36-D197 IonicContact CZ-OD2 3.19Å; R36-D197 IonicContact NH1-OD1 2.61Å; R36-D197 PolarHBondContact NH1-OD1 2.61Å; R36-D197 IonicContact NH1-OD2 3.31Å; R36-D197 PolarHBondContact NH1-OD2 3.37Å; R36-D197 VanDerWaalsContact NH2-CG 3.35Å; R36-D197 IonicContact NH2-OD1 3.81Å; R36-D197 PolarHBondContact NH2-OD1 2.6Å; R36-D197 IonicContact NH2-OD2 2.67Å
37R37.8Very low44.1Very low171 Ų171150.1 Ų150.165%0.64576%0.755SS**  trans-132130.4165.3-77.6-173.4158.2177.6-8.8107.8K35 E39K35-R37 HydrophobicContact CG-CG 4.47Å; K35-R37 PolarHBondContact O-N 3.02Å; R37-E39 HydrophobicContact CB-CB 4.16Å; R37-E39 PolarHBondContact O-N 3.39Å
38S47.7Very low44.8Very low131 Ų131154 Ų15492%0.91676%0.759SS**  trans-69.276.3158.849.20000107.6
39E31.5Very low44.9Very low132 Ų132150.7 Ų150.762%0.61775%0.747SS**  trans-96129.9-174.5-166.1176.5149.100109.2R37 V41R37-E39 HydrophobicContact CB-CB 4.16Å; R37-E39 PolarHBondContact O-N 3.39Å; E39-V41 HydrophobicContact CB-CG2 3.86Å; E39-V41 VanDerWaalsContact CD-CG2 3.49Å; E39-V41 HydrophobicContact CG-CG2 3.51Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-V41 WeakPolarHBondContact OE1-CG2 3.32Å
40V45.8Very low45Very low146 Ų146146.9 Ų146.989%0.88575%0.745SS**  trans-76.461.1172.7-172.40000108.7
41V35.2Very low45.9Very low79 Ų79140.5 Ų140.548%0.47973%0.726SS.*  trans-77.2126.9167.8-172.20000107E39 V43E39-V41 HydrophobicContact CB-CG2 3.86Å; E39-V41 VanDerWaalsContact CD-CG2 3.49Å; E39-V41 HydrophobicContact CG-CG2 3.51Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-V41 WeakPolarHBondContact OE1-CG2 3.32Å; V41-V43 HydrophobicContact CB-CG2 3.8Å; V41-V43 HydrophobicContact CG1-CG2 3.48Å; V41-V43 VanDerWaalsContact CG1-CG2 3.48Å; V41-V43 PolarHBondContact O-N 3.45Å
42V45.7Very low47.2Very low138 Ų138137.7 Ų137.784%0.83672%0.719SS**  trans-73.961.8167.4-169.90000109K44V42-K44 PolarHBondContact O-N 2.67Å
43V34.6Very low48.7Very low115 Ų115134.2 Ų134.270%0.69770%0.695SS**  trans-66.5101.7168-175.50000105.9V41 G45V41-V43 HydrophobicContact CB-CG2 3.8Å; V41-V43 HydrophobicContact CG1-CG2 3.48Å; V41-V43 VanDerWaalsContact CG1-CG2 3.48Å; V41-V43 PolarHBondContact O-N 3.45Å; V43-G45 WeakPolarHBondContact O-CA 3.3Å; V43-G45 PolarHBondContact O-N 2.9Å
44K47.3Very low50.2Low183 Ų183125.1 Ų125.180%0.79666%0.66SS**  trans-41.4107.1-176.6-179.1161.7-176.11630110.3V42 K46V42-K44 PolarHBondContact O-N 2.67Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.31Å
45G46.7Very low52.3Low58 Ų58123.7 Ų123.760%0.59865%0.652SS**  trans-68.980.1-158.900000113.6V43 L47V43-G45 WeakPolarHBondContact O-CA 3.3Å; V43-G45 PolarHBondContact O-N 2.9Å; G45-L47 PolarHBondContact O-N 2.84Å
46K47.9Very low54.4Low194 Ų194119.1 Ų119.184%0.84364%0.637SS**  trans-73.152.3170.1-71.1-172175-177.70111.2K44 K48K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.31Å; K46-K48 PolarHBondContact O-N 2.76Å; K46-K48 VanDerWaalsContact O-N 3.14Å
47L47.3Very low56.2Low121 Ų121111 Ų11163%0.63461%0.609SS**  trans-62.3113.1160.8-77.579.1000106.8G45 L49G45-L47 PolarHBondContact O-N 2.84Å; L47-L49 HydrophobicContact CB-CD2 3.87Å; L47-L49 HydrophobicContact CB-CG 3.84Å; L47-L49 HydrophobicContact CD2-CD2 3.77Å; L47-L49 HydrophobicContact CG-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.77Å
48K57.6Low58.6Low202 Ų202107.3 Ų107.388%0.87861%0.605SS**  trans-70.182.5162.7-71.5-170.8173.7-171.50107.7K46 C50K46-K48 PolarHBondContact O-N 2.76Å; K46-K48 VanDerWaalsContact O-N 3.14Å; K48-C50 PolarHBondContact O-N 3.2Å
49L45Very low60.5Low111 Ų111105.2 Ų105.258%0.58158%0.583SS**  trans-68-16-176.3-72.1175.1000113.3L47 S51L47-L49 HydrophobicContact CB-CD2 3.87Å; L47-L49 HydrophobicContact CB-CG 3.84Å; L47-L49 HydrophobicContact CD2-CD2 3.77Å; L47-L49 HydrophobicContact CG-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.77Å; L49-S51 PolarHBondContact O-N 2.91Å
50C53.4Low63.4Low130 Ų13099 Ų9988%0.87855%0.554SS**  trans-6943.5172.6-48.40000113.7K48K48-C50 PolarHBondContact O-N 3.2Å
51S68.3Low65.5Low65 Ų6595.5 Ų95.546%0.45553%0.53SS..  trans-80140.6157.7-171.10000107.4L49 S53 G54 L55L49-S51 PolarHBondContact O-N 2.91Å; S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.12Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S51-G54 WeakPolarHBondContact O-CA 3.45Å; S51-G54 PolarHBondContact O-N 2.97Å; S51-L55 PolarHBondContact O-N 3.41Å
52I76.7Confident68.2Low145 Ų14596.5 Ų96.574%0.74453%0.532SS*.Hα-helixtrans-49.8-47.5-172.2-65164.9000112.5G54 L55 V56I52-G54 VanDerWaalsContact C-N 3.28Å; I52-G54 PolarHBondContact O-N 3.1Å; I52-L55 WeakPolarHBondContact O-CB 3.05Å; I52-L55 PolarHBondContact O-N 3.23Å; I52-L55 VanDerWaalsContact O-N 3.07Å; I52-V56 PolarHBondContact O-N 3.46Å; I52-V56 VanDerWaalsContact O-N 3.1Å
53S73.9Confident70.3Confident17 Ų1791.7 Ų91.712%0.11950%0.503CS..Hα-helixtrans-62.2-28.7176.7169.80000114.3S51 A57 L182S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.12Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S53-A57 PolarHBondContact O-N 2.94Å; S53-L182 VanDerWaalsContact OG-CA 3.29Å; S53-L182 WeakPolarHBondContact OG-CA 3.12Å; S53-L182 WeakPolarHBondContact OG-CB 3.18Å; S53-L182 VanDerWaalsContact OG-CG 3.3Å; S53-L182 WeakPolarHBondContact OG-CG 3.35Å; S53-L182 PolarHBondContact OG-N 3.21Å
54G82.2Confident73.1Confident18 Ų1888.3 Ų88.319%0.18648%0.481CS..Hα-helixtrans-71.8-34.6172.100000113S51 I52 A57 V58S51-G54 WeakPolarHBondContact O-CA 3.45Å; S51-G54 PolarHBondContact O-N 2.97Å; I52-G54 VanDerWaalsContact C-N 3.28Å; I52-G54 PolarHBondContact O-N 3.1Å; G54-A57 PolarHBondContact O-N 2.84Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.43Å
55L83.6Confident75.1Confident105 Ų10584.7 Ų84.755%0.5547%0.469SS..Hα-helixtrans-64-45.1171.1179.364.2000110.8S51 I52 A57 V58 L59S51-L55 PolarHBondContact O-N 3.41Å; I52-L55 WeakPolarHBondContact O-CB 3.05Å; I52-L55 PolarHBondContact O-N 3.23Å; I52-L55 VanDerWaalsContact O-N 3.07Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 2.74Å; L55-V58 PolarHBondContact O-N 3.16Å; L55-L59 HydrophobicContact CG-CD1 4.13Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.8Å
56V85Confident77.1Confident61 Ų6184.3 Ų84.337%0.3746%0.455SS..Hα-helixtrans-62.4-38.1176.7-174.60000111.6I52 L59 G60 A178I52-V56 PolarHBondContact O-N 3.46Å; I52-V56 VanDerWaalsContact O-N 3.1Å; V56-L59 PolarHBondContact O-N 3.13Å; V56-G60 PolarHBondContact O-N 2.88Å; V56-A178 HydrophobicContact CB-CB 4.39Å; V56-A178 HydrophobicContact CG1-CB 3.97Å
57A86.4Confident79Confident9 Ų975 Ų757%0.07441%0.414CS..Hα-helixtrans-64.9-40.6174.500000112.8S53 G54 L55 G60 I61 A178 L182S53-A57 PolarHBondContact O-N 2.94Å; G54-A57 PolarHBondContact O-N 2.84Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 2.74Å; A57-G60 PolarHBondContact O-N 3.47Å; A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.05Å; A57-I61 PolarHBondContact O-N 3.49Å; A57-A178 HydrophobicContact CB-CB 4.13Å; A57-L182 HydrophobicContact CB-CD1 3.81Å
58V88.9Confident80.9Confident93 Ų9373 Ų7356%0.56441%0.406SS*.Hα-helixtrans-65.5-39.9174.2170.80000111.4G54 L55 I61 L62G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.43Å; L55-V58 PolarHBondContact O-N 3.16Å; V58-I61 PolarHBondContact O-N 2.66Å; V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.18Å
59L88.6Confident82.3Confident87 Ų8767.8 Ų67.846%0.45539%0.388SS..Hα-helixtrans-63.6-42.4174.4-70.8168.4000111.9L55 V56 I61 L62 V63L55-L59 HydrophobicContact CG-CD1 4.13Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.8Å; V56-L59 PolarHBondContact O-N 3.13Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 2.71Å; L59-L62 PolarHBondContact O-N 2.83Å; L59-V63 WeakPolarHBondContact O-CG2 3.19Å; L59-V63 PolarHBondContact O-N 2.96Å
60G91.4Very high84Confident1 Ų163.5 Ų63.51%0.0137%0.365CS..Hα-helixtrans-60.8-40.8174.200000112.8V56 A57 L64V56-G60 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 3.47Å; G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 2.88Å
61I90.3Very high85.5Confident74 Ų7458.5 Ų58.538%0.37933%0.333SS..Hα-helixtrans-65.7-40.9173.8-67.1163.7000111.2A57 V58 L59 L64 I65 F175A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.05Å; A57-I61 PolarHBondContact O-N 3.49Å; V58-I61 PolarHBondContact O-N 2.66Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 2.71Å; I61-L64 PolarHBondContact O-N 2.75Å; I61-I65 HydrophobicContact CG2-CD1 3.81Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.31Å; I61-I65 WeakPolarHBondContact O-CG1 3.45Å; I61-I65 PolarHBondContact O-N 3.35Å; I61-F175 HydrophobicContact CD1-CD2 4.42Å; I61-F175 HydrophobicContact CD1-CE2 4.01Å; I61-F175 HydrophobicContact CG1-CD2 3.79Å; I61-F175 HydrophobicContact CG1-CE2 3.77Å
62L92.3Very high86.1Confident99 Ų9957.7 Ų57.752%0.51833%0.33SS..Hα-helixtrans-63.5-46.6177.6-178.462.9000111.5V58 L59 L64 I65 V66V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.18Å; L59-L62 PolarHBondContact O-N 2.83Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 2.9Å; L62-I65 PolarHBondContact O-N 2.94Å; L62-V66 WeakPolarHBondContact O-CG2 3.02Å; L62-V66 PolarHBondContact O-N 3.38Å
63V90.2Very high86.1Confident38 Ų3854.9 Ų54.923%0.2332%0.316CS..Hα-helixtrans-62.3-37.8175.1174.90000111.1L59 G67 I167L59-V63 WeakPolarHBondContact O-CG2 3.19Å; L59-V63 PolarHBondContact O-N 2.96Å; V63-G67 PolarHBondContact O-N 3.09Å; V63-I167 HydrophobicContact CG1-CD1 3.73Å; V63-I167 HydrophobicContact CG1-CG1 4.03Å
64L91.3Very high86.2Confident44 Ų4454.8 Ų54.823%0.2332%0.319CS..Hα-helixtrans-64.9-42.5174.1-179.260.6000112.3G60 I61 L62 G67 V68 M168 I172G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 2.88Å; I61-L64 PolarHBondContact O-N 2.75Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 2.9Å; L64-G67 PolarHBondContact O-N 2.88Å; L64-V68 HydrophobicContact CD1-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.38Å; L64-V68 PolarHBondContact O-N 3.49Å; L64-M168 HydrophobicContact CD1-CG 4.23Å; L64-I172 HydrophobicContact CD1-CG1 3.84Å
65I91.1Very high85.6Confident106 Ų10663.6 Ų63.654%0.54435%0.347SS..Hα-helixtrans-64.2-45.8176.8-70.5165.3000110.6I61 L62 G67 V68 L69I61-I65 HydrophobicContact CG2-CD1 3.81Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.31Å; I61-I65 WeakPolarHBondContact O-CG1 3.45Å; I61-I65 PolarHBondContact O-N 3.35Å; L62-I65 PolarHBondContact O-N 2.94Å; I65-G67 VanDerWaalsContact C-N 3.31Å; I65-G67 PolarHBondContact O-N 2.86Å; I65-V68 PolarHBondContact O-N 2.81Å; I65-L69 WeakPolarHBondContact O-CB 3.48Å; I65-L69 PolarHBondContact O-N 3.49Å
66V88Confident84.7Confident50 Ų5067.3 Ų67.330%0.30335%0.354SS..Hα-helixtrans-59.9-43.3173.7172.90000110.3L62 L69 M70L62-V66 WeakPolarHBondContact O-CG2 3.02Å; L62-V66 PolarHBondContact O-N 3.38Å; V66-L69 CarbonylContact O-C 3.59Å; V66-L69 PolarHBondContact O-N 2.81Å; V66-M70 HydrophobicContact CG1-CE 4.24Å; V66-M70 HydrophobicContact CG1-CG 4.26Å; V66-M70 VanDerWaalsContact O-CG 3.32Å; V66-M70 WeakPolarHBondContact O-CG 3.37Å; V66-M70 PolarHBondContact O-N 3.38Å
67G88.3Confident83.2Confident0 Ų068.2 Ų68.20%036%0.361CS..Hα-helixtrans-67.6-36.1179.400000114.6V63 L64 I65 M70 A71 I167V63-G67 PolarHBondContact O-N 3.09Å; L64-G67 PolarHBondContact O-N 2.88Å; I65-G67 VanDerWaalsContact C-N 3.31Å; I65-G67 PolarHBondContact O-N 2.86Å; G67-M70 PolarHBondContact O-N 2.78Å; G67-A71 VanDerWaalsContact O-CB 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.21Å; G67-A71 PolarHBondContact O-N 3.48Å; G67-I167 VanDerWaalsContact CA-CG2 3.48Å
68V87.5Confident81.7Confident77 Ų7777.8 Ų77.847%0.46740%0.396SS..Hα-helixtrans-66.6-38.9170.2169.90000110.6L64 I65 A72L64-V68 HydrophobicContact CD1-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.38Å; L64-V68 PolarHBondContact O-N 3.49Å; I65-V68 PolarHBondContact O-N 2.81Å; V68-A72 WeakPolarHBondContact O-CB 3.28Å; V68-A72 PolarHBondContact O-N 3.21Å
69L86.8Confident80Confident93 Ų9378.1 Ų78.149%0.48739%0.394SS..Hα-helixtrans-66.4-40.5175.4-17662.1000112.1I65 V66 A72 L73I65-L69 WeakPolarHBondContact O-CB 3.48Å; I65-L69 PolarHBondContact O-N 3.49Å; V66-L69 CarbonylContact O-C 3.59Å; V66-L69 PolarHBondContact O-N 2.81Å; L69-A72 PolarHBondContact O-N 2.79Å; L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.86Å
70M81Confident78.2Confident21 Ų2176.7 Ų76.710%0.10340%0.4CS..Hα-helixtrans-73.8-35177.3-62.5-49.7162.400112.7V66 G67 L73 G74 L151 L155V66-M70 HydrophobicContact CG1-CE 4.24Å; V66-M70 HydrophobicContact CG1-CG 4.26Å; V66-M70 VanDerWaalsContact O-CG 3.32Å; V66-M70 WeakPolarHBondContact O-CG 3.37Å; V66-M70 PolarHBondContact O-N 3.38Å; G67-M70 PolarHBondContact O-N 2.78Å; M70-L73 HydrophobicContact SD-CD1 4.27Å; M70-G74 PolarHBondContact O-N 2.7Å; M70-L151 HydrophobicContact CE-CD1 3.85Å; M70-L151 HydrophobicContact CE-CD2 3.96Å; M70-L151 HydrophobicContact CE-CG 4.46Å; M70-L155 HydrophobicContact CE-CD1 3.79Å; M70-L155 HydrophobicContact CG-CD2 4.17Å; M70-L155 HydrophobicContact SD-CD1 3.47Å; M70-L155 WeakPolarHBondContact SD-CD1 3.34Å; M70-L155 HydrophobicContact SD-CD2 3.68Å; M70-L155 HydrophobicContact SD-CG 4.24Å
71A83.3Confident76.3Confident26 Ų2683.9 Ų83.922%0.21544%0.437CS..Hα-helixtrans-65.9-39.6169.500000111.3G67 Y75 M168G67-A71 VanDerWaalsContact O-CB 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.21Å; G67-A71 PolarHBondContact O-N 3.48Å; A71-Y75 VanDerWaalsContact O-CB 3.22Å; A71-Y75 WeakPolarHBondContact O-CB 3.43Å; A71-Y75 PolarHBondContact O-N 3.28Å; A71-Y75 VanDerWaalsContact O-N 3.09Å; A71-M168 HydrophobicContact CB-CE 3.64Å
72A82.1Confident74.2Confident47 Ų4788.6 Ų88.639%0.38846%0.456SS..Hα-helixtrans-63.1-51173.600000111V68 L69 G74 Y75 W76V68-A72 WeakPolarHBondContact O-CB 3.28Å; V68-A72 PolarHBondContact O-N 3.21Å; L69-A72 PolarHBondContact O-N 2.79Å; A72-G74 PolarHBondContact O-N 3.14Å; A72-Y75 CarbonylContact O-C 3.43Å; A72-Y75 PolarHBondContact O-N 2.86Å; A72-W76 WeakPolarHBondContact O-CA 3.47Å; A72-W76 WeakPolarHBondContact O-CB 3.13Å; A72-W76 PolarHBondContact O-N 3.49Å
73L77.1Confident72Confident86 Ų8692.6 Ų92.645%0.4547%0.469SS..Hα-helixtrans-67.1-34.8-179.8-70.9170.7000113.5L69 M70 Y75 W76L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.86Å; M70-L73 HydrophobicContact SD-CD1 4.27Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-W76 PolarHBondContact O-N 2.82Å
74G75.1Confident69.9Low16 Ų1696.1 Ų96.117%0.16550%0.496CS..Hα-helixtrans-76.7-11.7174.700000114.6M70 A72M70-G74 PolarHBondContact O-N 2.7Å; A72-G74 PolarHBondContact O-N 3.14Å
75Y69Low67.6Low202 Ų20298.9 Ų98.979%0.79252%0.519SS*.Hα-helixtrans-107.8-13.4170.5-171.1-102.6000112.5A71 A72 L73 P77A71-Y75 VanDerWaalsContact O-CB 3.22Å; A71-Y75 WeakPolarHBondContact O-CB 3.43Å; A71-Y75 PolarHBondContact O-N 3.28Å; A71-Y75 VanDerWaalsContact O-N 3.09Å; A72-Y75 CarbonylContact O-C 3.43Å; A72-Y75 PolarHBondContact O-N 2.86Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; Y75-P77 WeakPolarHBondContact O-CD 3.42Å
76W65.7Low65Low184 Ų184101.3 Ų101.370%0.69753%0.527SS*.SBendtrans-72.4121.2-179.7-168.4-88.2000109.2A72 L73 R78A72-W76 WeakPolarHBondContact O-CA 3.47Å; A72-W76 WeakPolarHBondContact O-CB 3.13Å; A72-W76 PolarHBondContact O-N 3.49Å; L73-W76 PolarHBondContact O-N 2.82Å; W76-R78 PolarHBondContact O-N 3.05Å
77P52.7Low63.1Low79 Ų79104.1 Ų104.151%0.51355%0.547SS..  trans-70.2101.4-17728.1-33.8000110Y75 D79 G80Y75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-D79 PolarHBondContact O-N 2.89Å; P77-G80 PolarHBondContact O-N 3.22Å
78R56Low61.3Low211 Ų211112.1 Ų112.180%0.79658%0.584SS**G310 helixtrans-64.2-18.8166.6-77.5-168170.4-146.20.4111.9W76 G80W76-R78 PolarHBondContact O-N 3.05Å; R78-G80 VanDerWaalsContact C-N 3.25Å; R78-G80 PolarHBondContact O-N 3.34Å
79D52.7Low59.2Low100 Ų100116 Ų11654%0.53560%0.597SS.*G310 helixtrans-73.6-14.8-179.2-40-68.8000113.2P77 L81 F82 F83P77-D79 PolarHBondContact O-N 2.89Å; D79-L81 PolarHBondContact O-N 3.03Å; D79-F82 PolarHBondContact O-N 3.46Å; D79-F83 HydrophobicContact CB-CD2 4.04Å; D79-F83 HydrophobicContact CB-CE2 4.22Å; D79-F83 PolarHBondContact O-N 3.36Å
80G50Low57.4Low56 Ų56114.9 Ų114.958%0.57761%0.608SS**G310 helixtrans-64.6-6.9-176.400000116P77 R78P77-G80 PolarHBondContact O-N 3.22Å; R78-G80 VanDerWaalsContact C-N 3.25Å; R78-G80 PolarHBondContact O-N 3.34Å
81L52.2Low55.7Low152 Ų152119 Ų11980%0.79664%0.635SS**G310 helixtrans-110.92.4174.9-71.1175.9000114.1D79D79-L81 PolarHBondContact O-N 3.03Å
82F45.7Very low53.9Low173 Ų173122.8 Ų122.876%0.75966%0.655SS**THydrogen-bonded Turntrans-117.7-13.9178.8-70.7-73.8000114.5D79D79-F82 PolarHBondContact O-N 3.46Å
83F45.7Very low52.2Low184 Ų184129.6 Ų129.681%0.80768%0.681SS**SBendtrans-96.522.5-179.3-83.1-75.5000115.7D79D79-F83 HydrophobicContact CB-CD2 4.04Å; D79-F83 HydrophobicContact CB-CE2 4.22Å; D79-F83 PolarHBondContact O-N 3.36Å
84S45.8Very low50.4Low112 Ų112129.9 Ų129.978%0.78370%0.696SS**SBendtrans-126.60.1-179.6-164.60000116
85S43.9Very low48.9Very low102 Ų102136.7 Ų136.771%0.71373%0.728SS**SBendtrans-16067.6-178.765.30000116.2
86Q37.3Very low47.3Very low156 Ų156135 Ų13573%0.72973%0.729SS**  trans-163.4110.8149.3-115.5-67.326.500110.5
87P47.5Very low45.6Very low109 Ų109132.2 Ų132.271%0.70874%0.738SS**  trans-87.3132.2179.832.9-34.2000113.7E89P87-E89 PolarHBondContact O-N 3.44Å
88Q50.9Low44.7Very low168 Ų168139.1 Ų139.179%0.78576%0.76SS**  trans48.759.2146.4-160.4-179.3-400117.2G90Q88-G90 PolarHBondContact O-N 3.3Å
89E42.9Very low43.4Very low159 Ų159134.5 Ų134.574%0.74376%0.76SS**  trans-8060.5164.6-162.7156.5-149.700111.2P87P87-E89 PolarHBondContact O-N 3.44Å
90G48.2Very low42.5Very low69 Ų69135 Ų13571%0.71177%0.771SS**  trans-116.526.4-179.600000113.3Q88Q88-G90 PolarHBondContact O-N 3.3Å
91T47Very low41.9Very low109 Ų109137.9 Ų137.967%0.66978%0.78SS**SBendtrans-142.624.1-163.1-29.80000114.1
92T44.9Very low40.9Very low104 Ų104134.7 Ų134.764%0.63878%0.776SS**SBendtrans-127.29.9-172.345.90000115.9
93M45.6Very low40.7Very low190 Ų190132.6 Ų132.694%0.93678%0.779SS**SBendtrans-135.113176-61.2-169.9-17100115.1
94A40.4Very low40Very low92 Ų92128.4 Ų128.476%0.7678%0.779SS**SBendtrans-136.630.8-165.300000116.1
95L42.3Very low39.1Very low159 Ų159130.8 Ų130.883%0.83278%0.782SS**SBendtrans-152.3148.4161.4-149.267.1000112.9
96M35.9Very low38.5Very low166 Ų166131.6 Ų131.682%0.81878%0.782SS**  trans65.379.3171.3-56.3-160.5177.400118.1
97S29.8Very low38.2Very low126 Ų126133 Ų13388%0.88179%0.789SS**  trans-159.866.2131.7-83.40000112
98F33Very low37.4Very low224 Ų224131.1 Ų131.198%0.98279%0.789SS**  trans-101.992.7160.5-90.7-73.5000109.3
99S30.1Very low36.4Very low114 Ų114132.5 Ų132.580%0.79780%0.795SS**  trans-165.7124.3152-168.80000110
100S33.1Very low35.7Very low110 Ų110132.8 Ų132.877%0.76980%0.797SS**  trans-113.2140.8159.5-179.20000106.6
101P38.7Very low35.4Very low118 Ų118134.3 Ų134.377%0.76679%0.794SS**  -138.6152.210736.8-26000114.3
102A31Very low34.4Very low85 Ų85140.6 Ų140.670%0.70281%0.805SS**  trans-77.4168.8163.600000111
103P40.1Very low33.4Very low128 Ų128147.3 Ų147.383%0.83182%0.819SS**  -149.1-166.984.140.4-21.7000115.3
104A30.9Very low32.8Very low97 Ų97143 Ų14380%0.80281%0.814SS**  trans80.7114.6-176.700000114.8
105L27.1Very low32.3Very low162 Ų162147.7 Ų147.785%0.84882%0.821SS**  cis105125.217.5-16794.8000112.6
106V32.1Very low31.9Very low119 Ų119146.1 Ų146.172%0.72182%0.823SS**  trans68.4131.6-178.9-168.80000113
107E30.6Very low31.8Very low186 Ų186144 Ų14487%0.86982%0.815SS**  cis-159.9173.8-16.3-109.2174.9160.300106.5
108G30.6Very low32.1Very low68 Ų68148.8 Ų148.870%0.70181%0.813SS**  cis170.6146.2-2.600000112.5
109Q29.6Very low32.2Very low198 Ų198141.9 Ų141.993%0.92581%0.805SS**  trans55.4105.7160.9-162.7161.3-2.800122
110E28.7Very low32.3Very low164 Ų164142.8 Ų142.877%0.76680%0.801SS**  trans-73.7173.3152.6-86.3-74.3135.600112.1
111P40.9Very low32.6Very low102 Ų102148.8 Ų148.866%0.66281%0.807SS**  cis-128.3174.1-10.140.2-26.6000113.9
112R26Very low32.7Very low240 Ų240149.1 Ų149.191%0.90681%0.807SS**  trans-155.4127.2154.6-151.9170.2-173.6159.73.4116.3
113W24.6Very low33Very low245 Ų245152.7 Ų152.793%0.92881%0.814SS**  trans-74.4136.9166.3-58.289.4000111.8
114A33.7Very low32.8Very low101 Ų101154.5 Ų154.584%0.83582%0.817SS**  trans-156.3115.2159.700000110.4
115E30Very low33.1Very low190 Ų190160.8 Ų160.889%0.88882%0.82SS**  trans-88.9142.1172.4-172.5159.6107.200110.2
116S34Very low33.7Very low125 Ų125156.6 Ų156.687%0.87482%0.816SS**  trans-155.7146.6162.7-83.20000112.2
117D33.6Very low33.9Very low122 Ų122158.4 Ų158.465%0.65282%0.822SS**  trans-109.7167.4-161.816737.4000111.2
118R35.2Very low34Very low226 Ų226151.8 Ų151.885%0.85380%0.803SS**  trans78130167.2-42.5-176.5-170.8168.19.3117.8
119G34.8Very low34.2Very low79 Ų79157.2 Ų157.281%0.81481%0.808SS**  trans176.231172.400000116R121G119-R121 PolarHBondContact O-N 2.95Å
120D33.7Very low34.5Very low134 Ų134153.7 Ų153.772%0.71780%0.795SS**  trans-60.7128177.9168.546.8000112.4
121R39.6Very low34.9Very low236 Ų236154 Ų15489%0.89180%0.796SS**  trans-158.9136.5133.6-105.8151.3-157.4-151.81.9113.2G119G119-R121 PolarHBondContact O-N 2.95Å
122T40.4Very low34.4Very low124 Ų124154.8 Ų154.876%0.76180%0.804SS**  trans-66.5152.6-173.249.50000115.3
123N37.6Very low35.4Very low160 Ų160151.5 Ų151.586%0.85680%0.8SS**  trans-57.7152.8163.4-51.3-85.5000112.3
124D35Very low35.8Very low166 Ų166146.2 Ų146.289%0.88880%0.795SS**  -141.4168.8124.8-145.6-22.7000110.6
125R38.3Very low36Very low230 Ų230148 Ų14887%0.86880%0.795SS**PPolyproline II helixtrans-102.5149.9-148.1-180173.7-76.7-162.2-4.9114.3
126G39Very low36.7Very low74 Ų74146.6 Ų146.676%0.76379%0.793SS**PPolyproline II helixtrans-66.2157.3-179.200000115.9
127N36.3Very low37Very low157 Ų157143.4 Ų143.484%0.8478%0.78SS**PPolyproline II helixtrans-78143.5179.6162.565.6000113.8
128G31.9Very low37Very low46 Ų46144.2 Ų144.247%0.47479%0.79SS.*  trans113.5121.2134.700000119.4
129F34.5Very low37.2Very low183 Ų183137.8 Ų137.880%0.80378%0.779SS**  trans64.6153.3145.4-60.2-81000118.4
130N37.4Very low37.1Very low124 Ų124145.2 Ų145.266%0.66378%0.783SS**  cis-147.4176.914.1-134.8-27.2000114.2
131Q37.4Very low37.3Very low169 Ų169145.8 Ų145.879%0.7979%0.786SS**  trans-68154.2-172-57143.877.800116.1
132S30.6Very low37.4Very low119 Ų119139 Ų13983%0.83277%0.77SS**  -160.5135.3125.2-170.20000111.1
133E46.5Very low37.7Very low172 Ų172138.8 Ų138.880%0.80477%0.771SS**  trans-84.6159.2169.3-61.4170.488.900111.2
134T32.6Very low38.3Very low134 Ų134136.1 Ų136.182%0.82275%0.754SS**  -169.9114.8123.724.80000113.2
135V37.6Very low39.4Very low139 Ų139130.6 Ų130.684%0.84274%0.735SS**  trans46.5116.3142.3-167.70000120.2
136N45.4Very low40.2Very low159 Ų159126.9 Ų126.985%0.8573%0.726SS**  trans-82.1156.8171.6-140.2-21.8000112.9
137G40.5Very low41Very low58 Ų58128.5 Ų128.560%0.59872%0.717SS**  trans98.467.7134.300000121.7
138T33.8Very low42.2Very low140 Ų140125 Ų12586%0.85970%0.695SS**  trans-134.876.2133.659.60000110.8R140T138-R140 PolarHBondContact O-N 2.92Å; T138-R140 VanDerWaalsContact O-N 3.13Å
139S37.8Very low43.8Very low90 Ų90126.3 Ų126.363%0.62969%0.691SS**  trans-60.3114.9175.6-55.80000110.9D141S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 WeakPolarHBondContact CB-OD2 3.18Å; S139-D141 PolarHBondContact O-N 2.88Å
140R34.1Very low45.1Very low235 Ų235122.3 Ų122.389%0.88767%0.674SS**  trans-85.686.6153.8-83.4-174.5168.7169.6-0.7107.1T138 V142T138-R140 PolarHBondContact O-N 2.92Å; T138-R140 VanDerWaalsContact O-N 3.13Å; R140-V142 PolarHBondContact O-N 3.23Å
141D37.6Very low46.3Very low146 Ų146119 Ų11978%0.78166%0.655SS**  trans-68.171175.1-68.5-64.5000111.6S139S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 WeakPolarHBondContact CB-OD2 3.18Å; S139-D141 PolarHBondContact O-N 2.88Å
142V41.4Very low47.5Very low94 Ų94115.6 Ų115.657%0.5764%0.643SS**  trans-85.7134.3152.4-177.70000105.7R140 Q144R140-V142 PolarHBondContact O-N 3.23Å; V142-Q144 PolarHBondContact O-N 2.83Å
143P45.8Very low49.1Very low119 Ų119117.8 Ų117.877%0.77363%0.633SS**SBendtrans-7375-177.629.9-36000111.2
144Q50.8Low49.7Very low105 Ų105115.8 Ų115.849%0.49162%0.619SS.*  trans-96.3-47.2-172.9-139172.9-66.900111.3V142 F146 L147 E148V142-Q144 PolarHBondContact O-N 2.83Å; Q144-F146 VanDerWaalsContact C-N 3.35Å; Q144-F146 PolarHBondContact O-N 3.45Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; Q144-L147 CarbonylContact O-C 3.6Å; Q144-L147 WeakPolarHBondContact O-CA 3.41Å; Q144-L147 PolarHBondContact O-N 3.12Å; Q144-E148 WeakPolarHBondContact CB-OE2 3.06Å; Q144-E148 HydrophobicContact CG-CG 4.34Å; Q144-E148 VanDerWaalsContact CG-OE2 3.3Å; Q144-E148 WeakPolarHBondContact CG-OE2 3.12Å; Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 PolarHBondContact O-N 3.17Å
145G57.5Low51Low49 Ų49110.9 Ų110.951%0.50559%0.587SS.*Hα-helixtrans-57.7-31.1-171.300000117.1D149G145-D149 WeakPolarHBondContact O-CB 3.45Å; G145-D149 PolarHBondContact O-N 3.28Å
146F56.1Low52.1Low152 Ų152114.5 Ų114.567%0.66759%0.587SS**Hα-helixtrans-72-37.1174-175.4-90.1000111.9Q144 F150Q144-F146 VanDerWaalsContact C-N 3.35Å; Q144-F146 PolarHBondContact O-N 3.45Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; F146-F150 HydrophobicContact CD1-CD2 4.23Å; F146-F150 HydrophobicContact CD2-CD2 4.34Å; F146-F150 HydrophobicContact CD2-CE2 4.38Å; F146-F150 AromaticContact CE1-CD2 3.76Å; F146-F150 HydrophobicContact CE1-CD2 3.76Å; F146-F150 AromaticContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CG 4.36Å; F146-F150 AromaticContact CE2-CD2 3.9Å; F146-F150 HydrophobicContact CE2-CD2 3.9Å; F146-F150 AromaticContact CE2-CE2 3.56Å; F146-F150 HydrophobicContact CE2-CE2 3.56Å; F146-F150 AromaticContact CZ-CD2 3.58Å; F146-F150 HydrophobicContact CZ-CD2 3.58Å; F146-F150 AromaticContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CG 4.49Å; F146-F150 HydrophobicContact CZ-CZ 4Å; F146-F150 WeakPolarHBondContact O-CB 3.45Å; F146-F150 PolarHBondContact O-N 2.87Å
147L56.4Low52.8Low109 Ų109109.7 Ų109.757%0.57157%0.567SS**Hα-helixtrans-74.6-36.5174-75.4174.5000111Q144 L151Q144-L147 CarbonylContact O-C 3.6Å; Q144-L147 WeakPolarHBondContact O-CA 3.41Å; Q144-L147 PolarHBondContact O-N 3.12Å; L147-L151 WeakPolarHBondContact O-CA 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CD1 3.22Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.04Å
148E60.5Low53.8Low84 Ų84114.1 Ų114.139%0.39358%0.576SS.*Hα-helixtrans-65.3-48.9175.8-77.6164.7145.400112Q144 F150 L151 D152Q144-E148 WeakPolarHBondContact CB-OE2 3.06Å; Q144-E148 HydrophobicContact CG-CG 4.34Å; Q144-E148 VanDerWaalsContact CG-OE2 3.3Å; Q144-E148 WeakPolarHBondContact CG-OE2 3.12Å; Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 PolarHBondContact O-N 3.17Å; E148-F150 PolarHBondContact O-N 2.79Å; E148-L151 CarbonylContact O-C 3.56Å; E148-L151 PolarHBondContact O-N 2.95Å; E148-D152 WeakPolarHBondContact O-CB 3.36Å; E148-D152 PolarHBondContact O-N 3.13Å
149D65.6Low55.1Low72 Ų72114.9 Ų114.939%0.38556%0.564SS.*Hα-helixtrans-66.7-34.2177.6-176.442.7000112.8G145 R153G145-D149 WeakPolarHBondContact O-CB 3.45Å; G145-D149 PolarHBondContact O-N 3.28Å; D149-R153 VanDerWaalsContact CG-NE 3.32Å; D149-R153 WeakPolarHBondContact O-CB 3.38Å; D149-R153 WeakPolarHBondContact O-CG 3.41Å; D149-R153 PolarHBondContact O-N 3.15Å; D149-R153 VanDerWaalsContact O-N 3.1Å; D149-R153 IonicContact OD1-CZ 3.65Å; D149-R153 VanDerWaalsContact OD1-CZ 3.24Å; D149-R153 IonicContact OD1-NE 2.61Å; D149-R153 PolarHBondContact OD1-NE 2.83Å; D149-R153 IonicContact OD1-NH2 2.69Å; D149-R153 PolarHBondContact OD1-NH2 2.82Å; D149-R153 IonicContact OD2-CZ 2.64Å; D149-R153 IonicContact OD2-NE 3.56Å; D149-R153 PolarHBondContact OD2-NE 3.15Å; D149-R153 IonicContact OD2-NH2 3.02Å; D149-R153 PolarHBondContact OD2-NH2 3.19Å
150F62.8Low56.4Low100 Ų100113.1 Ų113.144%0.43955%0.547SS..Hα-helixtrans-71.5-39171.6-98.2-97.5000113F146 E148 Y154F146-F150 HydrophobicContact CD1-CD2 4.23Å; F146-F150 HydrophobicContact CD2-CD2 4.34Å; F146-F150 HydrophobicContact CD2-CE2 4.38Å; F146-F150 AromaticContact CE1-CD2 3.76Å; F146-F150 HydrophobicContact CE1-CD2 3.76Å; F146-F150 AromaticContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CG 4.36Å; F146-F150 AromaticContact CE2-CD2 3.9Å; F146-F150 HydrophobicContact CE2-CD2 3.9Å; F146-F150 AromaticContact CE2-CE2 3.56Å; F146-F150 HydrophobicContact CE2-CE2 3.56Å; F146-F150 AromaticContact CZ-CD2 3.58Å; F146-F150 HydrophobicContact CZ-CD2 3.58Å; F146-F150 AromaticContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CG 4.49Å; F146-F150 HydrophobicContact CZ-CZ 4Å; F146-F150 WeakPolarHBondContact O-CB 3.45Å; F146-F150 PolarHBondContact O-N 2.87Å; E148-F150 PolarHBondContact O-N 2.79Å; F150-Y154 HydrophobicContact CD1-CD2 4.47Å; F150-Y154 HydrophobicContact CD1-CE2 4.26Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 WeakPolarHBondContact O-CD2 3.31Å; F150-Y154 PolarHBondContact O-N 3.1Å; F150-Y154 VanDerWaalsContact O-N 3.13Å
151L62.3Low58.1Low53 Ų53109.5 Ų109.528%0.27754%0.537SS..Hα-helixtrans-65.2-56.3175.4-76.9172000108.8M70 L147 E148 R153 Y154 L155M70-L151 HydrophobicContact CE-CD1 3.85Å; M70-L151 HydrophobicContact CE-CD2 3.96Å; M70-L151 HydrophobicContact CE-CG 4.46Å; L147-L151 WeakPolarHBondContact O-CA 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CD1 3.22Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.04Å; E148-L151 CarbonylContact O-C 3.56Å; E148-L151 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact O-N 3.16Å; L151-Y154 CarbonylContact O-C 3.46Å; L151-Y154 WeakPolarHBondContact O-CA 3.46Å; L151-Y154 PolarHBondContact O-N 2.9Å; L151-L155 HydrophobicContact CB-CD1 3.72Å; L151-L155 HydrophobicContact CB-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.13Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 HydrophobicContact CG-CD1 4.41Å; L151-L155 WeakPolarHBondContact O-CA 3.39Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.28Å
152D61.7Low60Low98 Ų98107.1 Ų107.152%0.52453%0.528SS..Hα-helixtrans-55.3-37.6179.3-72.1-26000112.5E148 Y154 Y156E148-D152 WeakPolarHBondContact O-CB 3.36Å; E148-D152 PolarHBondContact O-N 3.13Å; D152-Y154 PolarHBondContact O-N 3.07Å; D152-Y156 WeakPolarHBondContact O-CA 3.34Å; D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.41Å
153R64.6Low61.6Low165 Ų165105.9 Ų105.962%0.62352%0.515SS*.Hα-helixtrans-66.6-34.2172.6-70.7175.1-159.6-154.18.5114.3D149 L151D149-R153 VanDerWaalsContact CG-NE 3.32Å; D149-R153 WeakPolarHBondContact O-CB 3.38Å; D149-R153 WeakPolarHBondContact O-CG 3.41Å; D149-R153 PolarHBondContact O-N 3.15Å; D149-R153 VanDerWaalsContact O-N 3.1Å; D149-R153 IonicContact OD1-CZ 3.65Å; D149-R153 VanDerWaalsContact OD1-CZ 3.24Å; D149-R153 IonicContact OD1-NE 2.61Å; D149-R153 PolarHBondContact OD1-NE 2.83Å; D149-R153 IonicContact OD1-NH2 2.69Å; D149-R153 PolarHBondContact OD1-NH2 2.82Å; D149-R153 IonicContact OD2-CZ 2.64Å; D149-R153 IonicContact OD2-NE 3.56Å; D149-R153 PolarHBondContact OD2-NE 3.15Å; D149-R153 IonicContact OD2-NH2 3.02Å; D149-R153 PolarHBondContact OD2-NH2 3.19Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact O-N 3.16Å
154Y58.2Low63.3Low130 Ų130100.3 Ų100.351%0.5148%0.479SS..Hα-helixtrans-88.8-20.2176.7-87.5-97.6000114.4F150 L151 D152 F163F150-Y154 HydrophobicContact CD1-CD2 4.47Å; F150-Y154 HydrophobicContact CD1-CE2 4.26Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 WeakPolarHBondContact O-CD2 3.31Å; F150-Y154 PolarHBondContact O-N 3.1Å; F150-Y154 VanDerWaalsContact O-N 3.13Å; L151-Y154 CarbonylContact O-C 3.46Å; L151-Y154 WeakPolarHBondContact O-CA 3.46Å; L151-Y154 PolarHBondContact O-N 2.9Å; D152-Y154 PolarHBondContact O-N 3.07Å; Y154-F163 HydrophobicContact CD1-CE1 4.24Å; Y154-F163 AromaticContact CD1-CE2 3.98Å; Y154-F163 HydrophobicContact CD1-CE2 3.98Å; Y154-F163 AromaticContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CE1-CE1 4.5Å; Y154-F163 AromaticContact CE1-CZ 3.97Å; Y154-F163 HydrophobicContact CE1-CZ 3.97Å
155L61.1Low64.9Low31 Ų3199 Ų9916%0.16248%0.48CS..Hα-helixtrans-104.1-28-174.4-65.2-177.4000112.9M70 L151 S157 L160M70-L155 HydrophobicContact CE-CD1 3.79Å; M70-L155 HydrophobicContact CG-CD2 4.17Å; M70-L155 HydrophobicContact SD-CD1 3.47Å; M70-L155 WeakPolarHBondContact SD-CD1 3.34Å; M70-L155 HydrophobicContact SD-CD2 3.68Å; M70-L155 HydrophobicContact SD-CG 4.24Å; L151-L155 HydrophobicContact CB-CD1 3.72Å; L151-L155 HydrophobicContact CB-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.13Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 HydrophobicContact CG-CD1 4.41Å; L151-L155 WeakPolarHBondContact O-CA 3.39Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.28Å; L155-S157 PolarHBondContact O-N 2.97Å; L155-L160 HydrophobicContact CB-CD2 3.86Å; L155-L160 HydrophobicContact CD2-CD2 3.57Å; L155-L160 HydrophobicContact CG-CD2 4.24Å; L155-L160 WeakPolarHBondContact O-CD1 3.26Å; L155-L160 WeakPolarHBondContact O-CD2 3.23Å; L155-L160 WeakPolarHBondContact O-CG 3.49Å
156Y59.2Low66.3Low215 Ų215101.2 Ų101.284%0.84348%0.48SS*.SBendtrans-75.5-18.2174-162.1-94.5000111.7D152D152-Y156 WeakPolarHBondContact O-CA 3.34Å; D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.41Å
157S60.1Low67.8Low59 Ų5996.5 Ų96.541%0.41346%0.461SS..SBendtrans-71.1141.7164.7-67.30000111L155 R159 L160L155-S157 PolarHBondContact O-N 2.97Å; S157-R159 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 3.05Å
158D61.7Low69.3Low150 Ų15094.1 Ų94.180%0.80245%0.447SS*.THydrogen-bonded Turntrans-64.217.2177.2-159.219.2000114.7
159R62.3Low70.7Confident157 Ų15792 Ų9259%0.59245%0.448SS*.THydrogen-bonded Turntrans-84.9-13173.5-54.4-86.479.5175.85.6112S157 K161 V162 F163S157-R159 PolarHBondContact O-N 3.42Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.4Å; R159-K161 VanDerWaalsContact O-N 3.15Å; R159-V162 PolarHBondContact O-N 2.89Å; R159-F163 HydrophobicContact CB-CD2 3.47Å; R159-F163 VanDerWaalsContact CB-CD2 3.47Å; R159-F163 HydrophobicContact CB-CE2 3.57Å; R159-F163 HydrophobicContact CG-CE2 4.22Å; R159-F163 PolarHBondContact O-N 2.88Å
160L64.1Low71.8Confident53 Ų5392.2 Ų92.228%0.27745%0.448SS..Hα-helixtrans-33.7-57.2176.2-83.9167.3000114.3L155 S157 V162 F163 G164L155-L160 HydrophobicContact CB-CD2 3.86Å; L155-L160 HydrophobicContact CD2-CD2 3.57Å; L155-L160 HydrophobicContact CG-CD2 4.24Å; L155-L160 WeakPolarHBondContact O-CD1 3.26Å; L155-L160 WeakPolarHBondContact O-CD2 3.23Å; L155-L160 WeakPolarHBondContact O-CG 3.49Å; S157-L160 PolarHBondContact O-N 3.05Å; L160-V162 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact O-N 3.13Å; L160-F163 PolarHBondContact O-N 2.9Å; L160-G164 PolarHBondContact O-N 3.35Å
161K70.7Confident73.1Confident158 Ų15887.4 Ų87.469%0.68743%0.427SS*.Hα-helixtrans-58.6-25.4-176.1-105.6165.9179.9159.90113.8R159 P165R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.4Å; R159-K161 VanDerWaalsContact O-N 3.15Å; K161-P165 WeakPolarHBondContact O-CD 3.35Å
162V76.3Confident74.5Confident96 Ų9688.3 Ų88.358%0.58243%0.432SS*.Hα-helixtrans-98.4-35.1178.8-172.10000111.1R159 L160 P165 L166R159-V162 PolarHBondContact O-N 2.89Å; L160-V162 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact O-N 3.13Å; V162-P165 WeakPolarHBondContact O-CD 3.37Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 PolarHBondContact O-N 2.87Å
163F76.9Confident76Confident69 Ų6990.4 Ų90.430%0.30344%0.436SS..Hα-helixtrans-67.4-38.2178.3-89.1-65.7000113.3Y154 R159 L160 L166 I167Y154-F163 HydrophobicContact CD1-CE1 4.24Å; Y154-F163 AromaticContact CD1-CE2 3.98Å; Y154-F163 HydrophobicContact CD1-CE2 3.98Å; Y154-F163 AromaticContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CE1-CE1 4.5Å; Y154-F163 AromaticContact CE1-CZ 3.97Å; Y154-F163 HydrophobicContact CE1-CZ 3.97Å; R159-F163 HydrophobicContact CB-CD2 3.47Å; R159-F163 VanDerWaalsContact CB-CD2 3.47Å; R159-F163 HydrophobicContact CB-CE2 3.57Å; R159-F163 HydrophobicContact CG-CE2 4.22Å; R159-F163 PolarHBondContact O-N 2.88Å; L160-F163 PolarHBondContact O-N 2.9Å; F163-L166 HydrophobicContact CD1-CD2 3.93Å; F163-L166 HydrophobicContact CE1-CD2 3.95Å; F163-L166 WeakPolarHBondContact O-CB 3.31Å; F163-L166 PolarHBondContact O-N 3.48Å; F163-L166 VanDerWaalsContact O-N 3.12Å; F163-I167 WeakPolarHBondContact O-CG2 3.45Å; F163-I167 PolarHBondContact O-N 2.91Å
164G81.4Confident77.1Confident1 Ų185.5 Ų85.51%0.0142%0.422CS..Hα-helixtrans-52.6-57.1177.300000113.4L160 L166 I167 M168L160-G164 PolarHBondContact O-N 3.35Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 3.21Å; G164-I167 WeakPolarHBondContact O-CG2 3.29Å; G164-M168 VanDerWaalsContact O-CB 3.26Å; G164-M168 WeakPolarHBondContact O-CB 3.35Å; G164-M168 PolarHBondContact O-N 3.45Å
165P84.4Confident78.5Confident79 Ų7982.6 Ų82.651%0.51341%0.412SS..Hα-helixtrans-58.5-37.1172.8-27.335.9000114.2K161 V162 G169K161-P165 WeakPolarHBondContact O-CD 3.35Å; V162-P165 WeakPolarHBondContact O-CD 3.37Å; P165-G169 PolarHBondContact O-N 3.01Å
166L86.4Confident79.9Confident95 Ų9586.1 Ų86.150%0.49743%0.43SS..Hα-helixtrans-65.8-50.6179.8-177.964.8000112.1V162 F163 G164 M168 G169 I170V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 PolarHBondContact O-N 2.87Å; F163-L166 HydrophobicContact CD1-CD2 3.93Å; F163-L166 HydrophobicContact CE1-CD2 3.95Å; F163-L166 WeakPolarHBondContact O-CB 3.31Å; F163-L166 PolarHBondContact O-N 3.48Å; F163-L166 VanDerWaalsContact O-N 3.12Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 3.21Å; L166-M168 VanDerWaalsContact C-N 3.32Å; L166-M168 PolarHBondContact O-N 3.44Å; L166-G169 PolarHBondContact O-N 2.9Å; L166-I170 HydrophobicContact CD1-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 4.22Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.27Å
167I86.4Confident81.2Confident53 Ų5379 Ų7927%0.27241%0.411SS..Hα-helixtrans-69.7-31.9179.3-167.962.6000111.5V63 G67 F163 G164 I170 G171V63-I167 HydrophobicContact CG1-CD1 3.73Å; V63-I167 HydrophobicContact CG1-CG1 4.03Å; G67-I167 VanDerWaalsContact CA-CG2 3.48Å; F163-I167 WeakPolarHBondContact O-CG2 3.45Å; F163-I167 PolarHBondContact O-N 2.91Å; G164-I167 WeakPolarHBondContact O-CG2 3.29Å; I167-I170 PolarHBondContact O-N 3.01Å; I167-G171 PolarHBondContact O-N 2.76Å
168M88.7Confident82.4Confident58 Ų5876.5 Ų76.529%0.28639%0.394SS..Hα-helixtrans-61.6-47.6170.1-174.9-168.4-60.300111.2L64 A71 G164 L166 I170 G171 I172L64-M168 HydrophobicContact CD1-CG 4.23Å; A71-M168 HydrophobicContact CB-CE 3.64Å; G164-M168 VanDerWaalsContact O-CB 3.26Å; G164-M168 WeakPolarHBondContact O-CB 3.35Å; G164-M168 PolarHBondContact O-N 3.45Å; L166-M168 VanDerWaalsContact C-N 3.32Å; L166-M168 PolarHBondContact O-N 3.44Å; M168-I170 VanDerWaalsContact C-N 3.35Å; M168-I170 PolarHBondContact O-N 3.49Å; M168-G171 PolarHBondContact O-N 3.19Å; M168-I172 HydrophobicContact CG-CD1 3.94Å; M168-I172 VanDerWaalsContact O-CG1 3.31Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.1Å
169G89.4Confident83.4Confident40 Ų4071.5 Ų71.541%0.41237%0.367SS..Hα-helixtrans-59.4-42.8176.300000112.8P165 L166 I172 F173P165-G169 PolarHBondContact O-N 3.01Å; L166-G169 PolarHBondContact O-N 2.9Å; G169-I172 PolarHBondContact O-N 2.92Å; G169-F173 WeakPolarHBondContact O-CB 3.29Å; G169-F173 PolarHBondContact O-N 3.01Å
170I89.6Confident84.5Confident76 Ų7667 Ų6739%0.3936%0.363SS..Hα-helixtrans-63.4-44.6174.4-66.9164.3000111L166 I167 M168 F173 L174L166-I170 HydrophobicContact CD1-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 4.22Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.27Å; I167-I170 PolarHBondContact O-N 3.01Å; M168-I170 VanDerWaalsContact C-N 3.35Å; M168-I170 PolarHBondContact O-N 3.49Å; I170-F173 PolarHBondContact O-N 3.39Å; I170-L174 HydrophobicContact CG2-CD1 3.99Å; I170-L174 HydrophobicContact CG2-CG 4.42Å; I170-L174 WeakPolarHBondContact O-CB 3.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 3.3Å
171G90.1Very high85.3Confident0 Ų067.5 Ų67.50%037%0.369CS..Hα-helixtrans-61-44.6176.600000113.1I167 M168 L174 F175I167-G171 PolarHBondContact O-N 2.76Å; M168-G171 PolarHBondContact O-N 3.19Å; G171-L174 PolarHBondContact O-N 2.88Å; G171-F175 VanDerWaalsContact O-CB 3.29Å; G171-F175 WeakPolarHBondContact O-CB 3.5Å; G171-F175 PolarHBondContact O-N 2.94Å
172I90.8Very high85.5Confident72 Ų7261 Ų6137%0.36934%0.341SS..Hα-helixtrans-63.5-45.7175.4-67.3169.9000110.7L64 M168 G169 F175 I176L64-I172 HydrophobicContact CD1-CG1 3.84Å; M168-I172 HydrophobicContact CG-CD1 3.94Å; M168-I172 VanDerWaalsContact O-CG1 3.31Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.1Å; G169-I172 PolarHBondContact O-N 2.92Å; I172-F175 PolarHBondContact O-N 3.41Å; I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.44Å
173F92.7Very high85.1Confident141 Ų14162.1 Ų62.162%0.61834%0.34SS*.Hα-helixtrans-59-48.4177.1175.1-100.6000111.8G169 I170 F175 I176 C177G169-F173 WeakPolarHBondContact O-CB 3.29Å; G169-F173 PolarHBondContact O-N 3.01Å; I170-F173 PolarHBondContact O-N 3.39Å; F173-F175 PolarHBondContact O-N 2.83Å; F173-I176 PolarHBondContact O-N 2.84Å; F173-C177 WeakPolarHBondContact O-CB 3.12Å; F173-C177 PolarHBondContact O-N 3.45Å
174L89.4Confident84.9Confident63 Ų6363.7 Ų63.733%0.3335%0.348SS..Hα-helixtrans-62.4-41.4176.5-70.9174.5000111.9I170 G171 A178I170-L174 HydrophobicContact CG2-CD1 3.99Å; I170-L174 HydrophobicContact CG2-CG 4.42Å; I170-L174 WeakPolarHBondContact O-CB 3.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 3.3Å; G171-L174 PolarHBondContact O-N 2.88Å; L174-A178 WeakPolarHBondContact O-CB 3.2Å; L174-A178 PolarHBondContact O-N 3.34Å
175F86.8Confident84Confident68 Ų6866.7 Ų66.730%0.29836%0.364SS..Hα-helixtrans-64.6-45.7177.5178.9-115.2000112.4I61 G171 I172 F173 N179I61-F175 HydrophobicContact CD1-CD2 4.42Å; I61-F175 HydrophobicContact CD1-CE2 4.01Å; I61-F175 HydrophobicContact CG1-CD2 3.79Å; I61-F175 HydrophobicContact CG1-CE2 3.77Å; G171-F175 VanDerWaalsContact O-CB 3.29Å; G171-F175 WeakPolarHBondContact O-CB 3.5Å; G171-F175 PolarHBondContact O-N 2.94Å; I172-F175 PolarHBondContact O-N 3.41Å; F173-F175 PolarHBondContact O-N 2.83Å; F175-N179 VanDerWaalsContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.31Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.3Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.47Å; F175-N179 VanDerWaalsContact O-CB 3.3Å; F175-N179 WeakPolarHBondContact O-CB 3.18Å; F175-N179 PolarHBondContact O-N 3.28Å; F175-N179 PolarHBondContact O-ND2 2.89Å
176I90.4Very high82.9Confident106 Ų10669.1 Ų69.154%0.54436%0.363SS..Hα-helixtrans-66.8-44.9177.8-66.6172.2000110.7I172 F173 N179 A180I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.44Å; F173-I176 PolarHBondContact O-N 2.84Å; I176-N179 PolarHBondContact O-N 2.89Å; I176-A180 PolarHBondContact O-N 3.48Å
177C86.7Confident81.4Confident65 Ų6568 Ų6844%0.43936%0.358SS..Hα-helixtrans-61.7-45.5177.2-172.20000111.5F173 A180 V181F173-C177 WeakPolarHBondContact O-CB 3.12Å; F173-C177 PolarHBondContact O-N 3.45Å; C177-A180 PolarHBondContact O-N 3.28Å; C177-V181 PolarHBondContact O-N 2.91Å
178A85Confident80Confident6 Ų670.4 Ų70.45%0.0537%0.366CS..Hα-helixtrans-59.1-48.5173.900000111.2V56 A57 L174 A180 V181 L182V56-A178 HydrophobicContact CB-CB 4.39Å; V56-A178 HydrophobicContact CG1-CB 3.97Å; A57-A178 HydrophobicContact CB-CB 4.13Å; L174-A178 WeakPolarHBondContact O-CB 3.2Å; L174-A178 PolarHBondContact O-N 3.34Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.29Å; A178-V181 PolarHBondContact O-N 3.41Å; A178-L182 WeakPolarHBondContact O-CB 3.33Å; A178-L182 PolarHBondContact O-N 2.8Å
179N83.8Confident78.3Confident45 Ų4574 Ų7424%0.24138%0.38CS..Hα-helixtrans-61.2-39.6179.6-76.9-33.4000112.5F175 I176 L182 H183F175-N179 VanDerWaalsContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.31Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.3Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.47Å; F175-N179 VanDerWaalsContact O-CB 3.3Å; F175-N179 WeakPolarHBondContact O-CB 3.18Å; F175-N179 PolarHBondContact O-N 3.28Å; F175-N179 PolarHBondContact O-ND2 2.89Å; I176-N179 PolarHBondContact O-N 2.89Å; N179-L182 PolarHBondContact O-N 3.06Å; N179-H183 VanDerWaalsContact O-CB 3.29Å; N179-H183 WeakPolarHBondContact O-CB 3.29Å; N179-H183 PolarHBondContact O-CD2 3.04Å; N179-H183 PolarHBondContact O-N 2.84Å
180A84.8Confident76.4Confident62 Ų6276.4 Ų76.451%0.51239%0.387SS..Hα-helixtrans-58.6-51.2175.200000111.4I176 C177 A178 L182 H183 E184I176-A180 PolarHBondContact O-N 3.48Å; C177-A180 PolarHBondContact O-N 3.28Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.29Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 2.89Å; A180-H183 PolarHBondContact O-N 3.44Å; A180-E184 WeakPolarHBondContact O-CB 3.47Å; A180-E184 PolarHBondContact O-N 3.14Å
181V81.3Confident74.4Confident65 Ų6577.9 Ų77.939%0.39439%0.39SS..Hα-helixtrans-66.7-33.4178.4176.50000112.5C177 A178 N185C177-V181 PolarHBondContact O-N 2.91Å; A178-V181 PolarHBondContact O-N 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.46Å; V181-N185 PolarHBondContact O-N 3.21Å; V181-N185 PolarHBondContact O-ND2 2.91Å; V181-N185 VanDerWaalsContact O-ND2 3.14Å
182L74.6Confident72.5Confident21 Ų2182.4 Ų82.411%0.1142%0.418CS..Hα-helixtrans-74-39.4179.2-150.3166.5000110.8S53 A57 A178 N179 A180 N185 R186S53-L182 VanDerWaalsContact OG-CA 3.29Å; S53-L182 WeakPolarHBondContact OG-CA 3.12Å; S53-L182 WeakPolarHBondContact OG-CB 3.18Å; S53-L182 VanDerWaalsContact OG-CG 3.3Å; S53-L182 WeakPolarHBondContact OG-CG 3.35Å; S53-L182 PolarHBondContact OG-N 3.21Å; A57-L182 HydrophobicContact CB-CD1 3.81Å; A178-L182 WeakPolarHBondContact O-CB 3.33Å; A178-L182 PolarHBondContact O-N 2.8Å; N179-L182 PolarHBondContact O-N 3.06Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 2.89Å; L182-N185 PolarHBondContact O-N 2.86Å; L182-R186 HydrophobicContact CD2-CG 3.93Å; L182-R186 WeakPolarHBondContact O-CB 3.29Å; L182-R186 WeakPolarHBondContact O-CG 3.3Å; L182-R186 PolarHBondContact O-N 3.32Å
183H67.8Low70.8Confident119 Ų11984.7 Ų84.755%0.55143%0.43SS*.Hα-helixtrans-66-46.6171.7-83.6-115.5000110.7N179 A180 N185 R186 D187N179-H183 VanDerWaalsContact O-CB 3.29Å; N179-H183 WeakPolarHBondContact O-CB 3.29Å; N179-H183 PolarHBondContact O-CD2 3.04Å; N179-H183 PolarHBondContact O-N 2.84Å; A180-H183 PolarHBondContact O-N 3.44Å; H183-N185 PolarHBondContact O-N 3.24Å; H183-R186 PolarHBondContact O-N 3.35Å; H183-R186 VanDerWaalsContact O-N 3.1Å; H183-D187 VanDerWaalsContact O-CB 3.25Å; H183-D187 WeakPolarHBondContact O-CB 3.45Å; H183-D187 PolarHBondContact O-N 3.45Å
184E71.8Confident69.1Low103 Ų10382.4 Ų82.448%0.48142%0.424SS..Hα-helixtrans-54-39.7174-162.1-137.9154.800112.2A180 K188A180-E184 WeakPolarHBondContact O-CB 3.47Å; A180-E184 PolarHBondContact O-N 3.14Å; E184-K188 VanDerWaalsContact CD-NZ 3.33Å; E184-K188 WeakPolarHBondContact O-CD 3.22Å; E184-K188 WeakPolarHBondContact O-CE 3.47Å; E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.1Å; E184-K188 VanDerWaalsContact OE1-CE 3.22Å; E184-K188 WeakPolarHBondContact OE1-CE 3.43Å; E184-K188 IonicContact OE1-NZ 3.24Å; E184-K188 PolarHBondContact OE1-NZ 2.91Å; E184-K188 IonicContact OE2-NZ 2.9Å
185N64.2Low67.9Low63 Ų6383.8 Ų83.834%0.33743%0.431SS..Hα-helixtrans-80-27.7176.7-90.7-75.7000115.4V181 L182 H183V181-N185 WeakPolarHBondContact O-CB 3.46Å; V181-N185 PolarHBondContact O-N 3.21Å; V181-N185 PolarHBondContact O-ND2 2.91Å; V181-N185 VanDerWaalsContact O-ND2 3.14Å; L182-N185 PolarHBondContact O-N 2.86Å; H183-N185 PolarHBondContact O-N 3.24Å
186R61.5Low66.6Low131 Ų13189.6 Ų89.649%0.49445%0.451SS..Hα-helixtrans-73.4-41.2172.3-85178.9170.9154.51.2110.8L182 H183 K188 K189 T190L182-R186 HydrophobicContact CD2-CG 3.93Å; L182-R186 WeakPolarHBondContact O-CB 3.29Å; L182-R186 WeakPolarHBondContact O-CG 3.3Å; L182-R186 PolarHBondContact O-N 3.32Å; H183-R186 PolarHBondContact O-N 3.35Å; H183-R186 VanDerWaalsContact O-N 3.1Å; R186-K188 VanDerWaalsContact C-N 3.29Å; R186-K188 PolarHBondContact O-N 3.04Å; R186-K189 WeakPolarHBondContact O-CA 3.18Å; R186-K189 WeakPolarHBondContact O-CB 3.16Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-T190 PolarHBondContact O-N 2.92Å; R186-T190 PolarHBondContact O-OG1 2.92Å
187D53.4Low65Low72 Ų7286.7 Ų86.739%0.38544%0.437SS..Hα-helixtrans-62-38.8-178.4-150.418.4000111.1H183 K189 T190 K191H183-D187 VanDerWaalsContact O-CB 3.25Å; H183-D187 WeakPolarHBondContact O-CB 3.45Å; H183-D187 PolarHBondContact O-N 3.45Å; D187-K189 PolarHBondContact O-N 3.42Å; D187-T190 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact O-CB 3.32Å; D187-K191 WeakPolarHBondContact O-CD 3.45Å; D187-K191 WeakPolarHBondContact O-CG 3.39Å; D187-K191 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact OD1-CE 3.25Å; D187-K191 IonicContact OD1-NZ 2.76Å; D187-K191 WeakPolarHBondContact OD2-CE 3.22Å; D187-K191 IonicContact OD2-NZ 3.05Å; D187-K191 PolarHBondContact OD2-NZ 3.24Å
188K56.6Low64.1Low102 Ų10287.7 Ų87.744%0.44344%0.437SS..Hα-helixtrans-56.1-34.5170.2-69.4166.2-166.2175.50113.2E184 R186 V192E184-K188 VanDerWaalsContact CD-NZ 3.33Å; E184-K188 WeakPolarHBondContact O-CD 3.22Å; E184-K188 WeakPolarHBondContact O-CE 3.47Å; E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.1Å; E184-K188 VanDerWaalsContact OE1-CE 3.22Å; E184-K188 WeakPolarHBondContact OE1-CE 3.43Å; E184-K188 IonicContact OE1-NZ 3.24Å; E184-K188 PolarHBondContact OE1-NZ 2.91Å; E184-K188 IonicContact OE2-NZ 2.9Å; R186-K188 VanDerWaalsContact C-N 3.29Å; R186-K188 PolarHBondContact O-N 3.04Å; K188-V192 WeakPolarHBondContact O-CB 3.1Å; K188-V192 WeakPolarHBondContact O-CG2 3.47Å; K188-V192 PolarHBondContact O-N 3.21Å
189K53.8Low62.7Low134 Ų13494.6 Ų94.658%0.58346%0.463SS*.Hα-helixtrans-82.7-39.3-179.9-67.5170.3-176.2169.40112R186 D187 V192 I193R186-K189 WeakPolarHBondContact O-CA 3.18Å; R186-K189 WeakPolarHBondContact O-CB 3.16Å; R186-K189 PolarHBondContact O-N 3.22Å; D187-K189 PolarHBondContact O-N 3.42Å; K189-V192 PolarHBondContact O-N 3.36Å; K189-I193 PolarHBondContact O-N 3.3Å
190T50.1Low61.6Low91 Ų9195 Ų9556%0.55847%0.469SS*.Hα-helixtrans-67.2-42.1174.3-460000111.4R186 D187 V192 I193 N194R186-T190 PolarHBondContact O-N 2.92Å; R186-T190 PolarHBondContact O-OG1 2.92Å; D187-T190 PolarHBondContact O-N 3.36Å; T190-V192 PolarHBondContact O-N 3Å; T190-I193 PolarHBondContact O-N 3.46Å; T190-N194 PolarHBondContact O-N 2.96Å
191K47Very low60.7Low106 Ų10696.2 Ų96.246%0.46147%0.47SS..Hα-helixtrans-63.7-37.6175.1-72.2167.4174171.30112.3D187 I193 N194 L195D187-K191 WeakPolarHBondContact O-CB 3.32Å; D187-K191 WeakPolarHBondContact O-CD 3.45Å; D187-K191 WeakPolarHBondContact O-CG 3.39Å; D187-K191 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact OD1-CE 3.25Å; D187-K191 IonicContact OD1-NZ 2.76Å; D187-K191 WeakPolarHBondContact OD2-CE 3.22Å; D187-K191 IonicContact OD2-NZ 3.05Å; D187-K191 PolarHBondContact OD2-NZ 3.24Å; K191-I193 VanDerWaalsContact C-N 3.34Å; K191-I193 PolarHBondContact O-N 2.8Å; K191-N194 PolarHBondContact O-N 3.46Å; K191-L195 VanDerWaalsContact O-CB 3.25Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 VanDerWaalsContact O-CG 3.26Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.22Å
192V49.8Very low59.6Low96 Ų9696.4 Ų96.458%0.58247%0.471SS*.Hα-helixtrans-63-37.7173.9160.10000112.5K188 K189 T190 R196K188-V192 WeakPolarHBondContact O-CB 3.1Å; K188-V192 WeakPolarHBondContact O-CG2 3.47Å; K188-V192 PolarHBondContact O-N 3.21Å; K189-V192 PolarHBondContact O-N 3.36Å; T190-V192 PolarHBondContact O-N 3Å; V192-R196 WeakPolarHBondContact O-CB 3.12Å; V192-R196 PolarHBondContact O-N 3.02Å; V192-R196 VanDerWaalsContact O-N 3.14Å
193I54.6Low59.1Low120 Ų120100.9 Ų100.962%0.61549%0.494SS*.Hα-helixtrans-68.4-49174.6-63172.4000109.9K189 T190 K191 R196 D197K189-I193 PolarHBondContact O-N 3.3Å; T190-I193 PolarHBondContact O-N 3.46Å; K191-I193 VanDerWaalsContact C-N 3.34Å; K191-I193 PolarHBondContact O-N 2.8Å; I193-R196 PolarHBondContact O-N 3.49Å; I193-D197 WeakPolarHBondContact O-CB 3.18Å; I193-D197 PolarHBondContact O-N 3.34Å
194N58.3Low58.6Low93 Ų93100.7 Ų100.750%0.49750%0.497SS..Hα-helixtrans-63.2-46.8-178.4-168.515.8000113.1T190 K191 R196 D197 I198T190-N194 PolarHBondContact O-N 2.96Å; K191-N194 PolarHBondContact O-N 3.46Å; N194-R196 PolarHBondContact O-N 2.69Å; N194-D197 WeakPolarHBondContact O-CA 3.29Å; N194-D197 VanDerWaalsContact O-CB 3.24Å; N194-D197 WeakPolarHBondContact O-CB 3.33Å; N194-D197 PolarHBondContact O-N 3.31Å; N194-I198 WeakPolarHBondContact O-CG1 3.29Å; N194-I198 PolarHBondContact O-N 2.92Å
195L63.6Low58.3Low92 Ų92102 Ų10248%0.48251%0.507SS..Hα-helixtrans-62-43.8176.1-72.6167.6000111.3K191 D197 I198 Y199K191-L195 VanDerWaalsContact O-CB 3.25Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 VanDerWaalsContact O-CG 3.26Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.22Å; L195-D197 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 2.82Å; L195-Y199 HydrophobicContact CD2-CE2 4.25Å; L195-Y199 VanDerWaalsContact O-CD2 3.29Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 2.64Å
196R60.5Low57.9Low190 Ų190105.1 Ų105.172%0.71752%0.519SS*.Hα-helixtrans-61.5-33.1174.3-170.4177.5-172.1-175.25111.2V192 I193 N194 S200V192-R196 WeakPolarHBondContact O-CB 3.12Å; V192-R196 PolarHBondContact O-N 3.02Å; V192-R196 VanDerWaalsContact O-N 3.14Å; I193-R196 PolarHBondContact O-N 3.49Å; N194-R196 PolarHBondContact O-N 2.69Å; R196-S200 WeakPolarHBondContact O-CB 3.44Å; R196-S200 PolarHBondContact O-N 3.5Å; R196-S200 PolarHBondContact O-OG 3.14Å
197D57Low57.4Low45 Ų45102.4 Ų102.424%0.24152%0.52CS..Hα-helixtrans-68.1-52.2177.4-141.4-13.3000112.5R36 I193 N194 L195 S200 T201R36-D197 IonicContact CZ-OD1 3.85Å; R36-D197 IonicContact CZ-OD2 3.19Å; R36-D197 IonicContact NH1-OD1 2.61Å; R36-D197 PolarHBondContact NH1-OD1 2.61Å; R36-D197 IonicContact NH1-OD2 3.31Å; R36-D197 PolarHBondContact NH1-OD2 3.37Å; R36-D197 VanDerWaalsContact NH2-CG 3.35Å; R36-D197 IonicContact NH2-OD1 3.81Å; R36-D197 PolarHBondContact NH2-OD1 2.6Å; R36-D197 IonicContact NH2-OD2 2.67Å; I193-D197 WeakPolarHBondContact O-CB 3.18Å; I193-D197 PolarHBondContact O-N 3.34Å; N194-D197 WeakPolarHBondContact O-CA 3.29Å; N194-D197 VanDerWaalsContact O-CB 3.24Å; N194-D197 WeakPolarHBondContact O-CB 3.33Å; N194-D197 PolarHBondContact O-N 3.31Å; L195-D197 PolarHBondContact O-N 3.49Å; D197-S200 PolarHBondContact O-N 3.35Å; D197-T201 WeakPolarHBondContact O-CB 3.24Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.98Å
198I66.6Low57.3Low85 Ų85105 Ų10544%0.43654%0.538SS..Hα-helixtrans-58.9-53178.8-66.7164.9000110N194 L195 S200 T201 V202N194-I198 WeakPolarHBondContact O-CG1 3.29Å; N194-I198 PolarHBondContact O-N 2.92Å; L195-I198 PolarHBondContact O-N 2.82Å; I198-S200 PolarHBondContact O-N 3.32Å; I198-T201 PolarHBondContact O-N 3.43Å; I198-V202 WeakPolarHBondContact O-CG2 3.41Å; I198-V202 PolarHBondContact O-N 2.8Å
199Y55.8Low57Low152 Ų152110 Ų11060%0.59655%0.554SS**Hα-helixtrans-68.6-34.7179.9-75.5-69.8000113L195 I203L195-Y199 HydrophobicContact CD2-CE2 4.25Å; L195-Y199 VanDerWaalsContact O-CD2 3.29Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 2.64Å; Y199-I203 VanDerWaalsContact O-CB 3.28Å; Y199-I203 WeakPolarHBondContact O-CB 3.35Å; Y199-I203 WeakPolarHBondContact O-CD1 3.15Å; Y199-I203 WeakPolarHBondContact O-CG1 3.37Å; Y199-I203 PolarHBondContact O-N 2.85Å
200S61.1Low56.2Low53 Ų53111.8 Ų111.837%0.37156%0.562SS.*Hα-helixtrans-65.7-41.8173.5-59.60000111.3R196 D197 I198 I203 D204R196-S200 WeakPolarHBondContact O-CB 3.44Å; R196-S200 PolarHBondContact O-N 3.5Å; R196-S200 PolarHBondContact O-OG 3.14Å; D197-S200 PolarHBondContact O-N 3.35Å; I198-S200 PolarHBondContact O-N 3.32Å; S200-I203 PolarHBondContact O-N 2.77Å; S200-D204 VanDerWaalsContact O-CB 3.29Å; S200-D204 WeakPolarHBondContact O-CB 3.28Å; S200-D204 PolarHBondContact O-N 3.05Å
201T65.2Low55.7Low87 Ų87113 Ų11353%0.53457%0.571SS.*Hα-helixtrans-64.1-44179.8-570000111.2D197 I198 L205D197-T201 WeakPolarHBondContact O-CB 3.24Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.98Å; I198-T201 PolarHBondContact O-N 3.43Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 2.92Å
202V59.7Low55.1Low70 Ų70115.8 Ų115.842%0.42459%0.586SS.*Hα-helixtrans-65.4-43175.9171.50000111.5I198 L205 H206I198-V202 WeakPolarHBondContact O-CG2 3.41Å; I198-V202 PolarHBondContact O-N 2.8Å; V202-L205 PolarHBondContact O-N 3.32Å; V202-H206 PolarHBondContact O-CD2 2.61Å; V202-H206 PolarHBondContact O-N 3.22Å
203I62.7Low55.2Low114 Ų114117.4 Ų117.459%0.58560%0.598SS**Hα-helixtrans-68.1-39.4179.1-69.4166.6000111.7Y199 S200 L205 H206 S207Y199-I203 VanDerWaalsContact O-CB 3.28Å; Y199-I203 WeakPolarHBondContact O-CB 3.35Å; Y199-I203 WeakPolarHBondContact O-CD1 3.15Å; Y199-I203 WeakPolarHBondContact O-CG1 3.37Å; Y199-I203 PolarHBondContact O-N 2.85Å; S200-I203 PolarHBondContact O-N 2.77Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-H206 PolarHBondContact O-N 2.86Å; I203-S207 PolarHBondContact O-N 3.31Å
204D57.1Low54.4Low116 Ų116115.8 Ų115.862%0.6260%0.598SS**Hα-helixtrans-66.1-37.6177-149.522.8000110.4S200 S207 V208S200-D204 VanDerWaalsContact O-CB 3.29Å; S200-D204 WeakPolarHBondContact O-CB 3.28Å; S200-D204 PolarHBondContact O-N 3.05Å; D204-S207 WeakPolarHBondContact O-CB 3.38Å; D204-S207 PolarHBondContact O-N 3.47Å; D204-S207 VanDerWaalsContact O-N 3.15Å; D204-S207 PolarHBondContact O-OG 2.93Å; D204-V208 PolarHBondContact O-N 3.37Å
205L65.8Low53.4Low130 Ų130116.5 Ų116.568%0.68161%0.61SS**Hα-helixtrans-63.2-40.5172.3-159.575.8000112.5T201 V202 I203 S207 V208T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 2.92Å; V202-L205 PolarHBondContact O-N 3.32Å; I203-L205 VanDerWaalsContact C-N 3.33Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.3Å; L205-V208 PolarHBondContact O-N 2.94Å
206H56Low52.4Low128 Ų128118.3 Ų118.359%0.59363%0.63SS**Hα-helixtrans-70.7-23.3173.2-80.9-70.3000113.5V202 I203 V208 R209V202-H206 PolarHBondContact O-CD2 2.61Å; V202-H206 PolarHBondContact O-N 3.22Å; I203-H206 PolarHBondContact O-N 2.86Å; H206-V208 VanDerWaalsContact C-N 3.29Å; H206-V208 PolarHBondContact O-N 3.34Å; H206-R209 CarbonylContact O-C 3.56Å; H206-R209 PolarHBondContact O-N 3.42Å
207S50.3Low51.4Low74 Ų74112.8 Ų112.852%0.51763%0.633SS.*Hα-helixtrans-64.3-35.5174.186.20000112I203 D204 L205 R209I203-S207 PolarHBondContact O-N 3.31Å; D204-S207 WeakPolarHBondContact O-CB 3.38Å; D204-S207 PolarHBondContact O-N 3.47Å; D204-S207 VanDerWaalsContact O-N 3.15Å; D204-S207 PolarHBondContact O-OG 2.93Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.3Å; S207-R209 PolarHBondContact O-N 3.25Å
208V51.6Low50.4Low126 Ų126117 Ų11776%0.76467%0.665SS**THydrogen-bonded Turntrans-72.2-13.9174.3-173.40000111.9D204 L205 H206D204-V208 PolarHBondContact O-N 3.37Å; L205-V208 PolarHBondContact O-N 2.94Å; H206-V208 VanDerWaalsContact C-N 3.29Å; H206-V208 PolarHBondContact O-N 3.34Å
209R51.2Low49.3Very low208 Ų208116.3 Ų116.379%0.78567%0.673SS**THydrogen-bonded Turntrans-108.230-177.8-153.770.4-174.8-171.32.5113.8H206 S207H206-R209 CarbonylContact O-C 3.56Å; H206-R209 PolarHBondContact O-N 3.42Å; S207-R209 PolarHBondContact O-N 3.25Å
210K35.7Very low48Very low172 Ų172117.8 Ų117.875%0.74869%0.685SS**  trans-110.8100.4163.4-98.9-171.7172.3-1760111.6H212K210-H212 PolarHBondContact O-N 3.49Å
211P41Very low47.2Very low116 Ų116124.4 Ų124.475%0.75371%0.709SS**  trans-63.8130.4162.9-15.930.4000109.6
212H32.8Very low45.9Very low165 Ų165126 Ų12676%0.76472%0.722SS**  trans-77.2126.4160.8-79.1-101.7000108.3K210 S214K210-H212 PolarHBondContact O-N 3.49Å; H212-S214 VanDerWaalsContact C-N 3.26Å; H212-S214 PolarHBondContact O-N 3.45Å
213P52.1Low45.5Very low129 Ų129129.9 Ų129.984%0.83874%0.739SS**  trans-75.682.1171.831.1-32.9000109
214S37.7Very low44.3Very low87 Ų87128.7 Ų128.761%0.60875%0.746SS**  trans-149.9106.6-178.2-57.20000111.2H212H212-S214 VanDerWaalsContact C-N 3.26Å; H212-S214 PolarHBondContact O-N 3.45Å
215S37.8Very low43.5Very low108 Ų108129 Ų12976%0.75575%0.748SS**  trans18.1117.3156.557.90000119.9
216S43.8Very low42.7Very low130 Ų130128.7 Ų128.791%0.90975%0.754SS**  trans39.2116.8134-51.40000120.2
217G37.9Very low42.1Very low74 Ų74129.5 Ų129.576%0.76376%0.761SS**  trans164.695.4154.700000118.3
218S37.3Very low41.9Very low132 Ų132133.4 Ų133.492%0.92378%0.777SS**  trans67.9162.2156.3-151.20000119.4
219A42.3Very low41.7Very low72 Ų72130.2 Ų130.260%0.59577%0.769SS**  trans-84.4149.6-168.200000113.9
220H29.7Very low41.6Very low183 Ų183126.9 Ų126.985%0.84777%0.766SS**  -176.2127.6104.9-92.9-71.6000110.1
221Q43.7Very low42Very low191 Ų191124.5 Ų124.589%0.89376%0.76SS**  trans-75.9144.9166.4-77.6-178-23.100110.5
222P38.4Very low42.1Very low122 Ų122125.3 Ų125.379%0.79276%0.758SS**  trans-121.2126.6135.30.720.1000111.3A224P222-A224 PolarHBondContact O-N 2.68Å
223L49.8Very low42.7Very low151 Ų151127.2 Ų127.279%0.79176%0.76SS**  trans-67.9123.2169.1175.867.3000110
224A37.8Very low42.2Very low89 Ų89127 Ų12774%0.73676%0.756SS**  trans-140.7103.2175.400000110.9P222P222-A224 PolarHBondContact O-N 2.68Å
225N41Very low42.2Very low122 Ų122130.5 Ų130.565%0.65276%0.763SS**  trans-72.1131.3-175.3-70-38.5000112.2L227N225-L227 PolarHBondContact O-N 3.5Å
226P47.8Very low42.1Very low123 Ų123129.3 Ų129.380%0.79976%0.755SS**G310 helixtrans-78.95.2-178.432.9-36.7000114.5
227L45.3Very low42Very low145 Ų145132.9 Ų132.976%0.75975%0.754SS**G310 helixtrans-80.8-18.5-168.9-95.5161.8000115.5N225 G229N225-L227 PolarHBondContact O-N 3.5Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.15Å
228N46.2Very low42Very low157 Ų157134.8 Ų134.884%0.8476%0.756SS**G310 helixtrans-84.74.2-172-137.235.6000114.8
229G47Very low42.1Very low58 Ų58135.7 Ų135.760%0.59875%0.749SS**G310 helixtrans-97.2-21.7-174.400000116.1L227L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.15Å
230L48.1Very low41.5Very low139 Ų139140.8 Ų140.873%0.72876%0.761SS**SBendtrans-87.6-32.7-164-169.361.2000114.3N232 Y233L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.01Å; L230-Y233 PolarHBondContact O-N 3.39Å
231I44.5Very low41.6Very low122 Ų122135.8 Ų135.863%0.62675%0.746SS**G310 helixtrans-63.9-35.3-171.3-60.1173.4000111.8Y233I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 PolarHBondContact O-N 3.05Å
232N43.6Very low40.9Very low132 Ų132135.7 Ų135.771%0.70674%0.743SS**G310 helixtrans-77-4.6-171.2-134.6-21.6000114.7L230L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.01Å
233Y45.8Very low40.3Very low206 Ų206135.2 Ų135.281%0.80874%0.742SS**G310 helixtrans-101.8-13.6-179.5-116.1-85.5000114.5L230 I231L230-Y233 PolarHBondContact O-N 3.39Å; I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 PolarHBondContact O-N 3.05Å
234V40.9Very low39.2Very low124 Ų124135.9 Ų135.975%0.75274%0.742SS**THydrogen-bonded Turntrans-93.4-32.9176.9-177.90000111S236V234-S236 VanDerWaalsContact C-N 3.31Å; V234-S236 PolarHBondContact O-N 3.21Å
235Q37Very low38.5Very low160 Ų160139.4 Ų139.475%0.74875%0.745SS**THydrogen-bonded Turntrans-83.14.6-172.8-152.3175.95.600114.9
236S36.9Very low38Very low84 Ų84139 Ų13959%0.58775%0.751SS**THydrogen-bonded Turntrans-110.824.7-174.469.70000114.8V234V234-S236 VanDerWaalsContact C-N 3.31Å; V234-S236 PolarHBondContact O-N 3.21Å
237K41.2Very low37.8Very low204 Ų204138.9 Ų138.989%0.88775%0.749SS**SBendtrans-143.563.2166.4-75.5-163176.5-173.80111.9
238S37.3Very low37Very low115 Ų115136.5 Ų136.580%0.80475%0.751SS**SBendtrans-127.1158.7160.8-162.20000110E240S238-E240 PolarHBondContact O-N 2.99Å
239L40Very low36.2Very low151 Ų151135.4 Ų135.479%0.79175%0.75SS**  trans-65.3125.4-165.4-67.9157.9000113.2
240E30.4Very low35.7Very low179 Ų179140.2 Ų140.284%0.83676%0.761SS**  trans-9769.7155.9-173.358.4-10400108.7S238S238-E240 PolarHBondContact O-N 2.99Å
241S31.5Very low35Very low78 Ų78141.5 Ų141.555%0.54577%0.768SS.*  trans-93.998.6167.654.80000108.5S243S241-S243 PolarHBondContact O-N 3.47Å
242K27.8Very low34.6Very low188 Ų188143.7 Ų143.782%0.81778%0.78SS**  trans-37.5103.7-175.2-178.2-176178.1179.70114.7
243S26.3Very low33.9Very low112 Ų112142.5 Ų142.578%0.78378%0.782SS**  trans-137.897.7163.859.90000110.7S241S241-S243 PolarHBondContact O-N 3.47Å
244Q26.4Very low33.1Very low166 Ų166144 Ų14478%0.77679%0.786SS**  trans-104.1101.4-176.1176.8-170.8-2.300110.7
245M23Very low32.6Very low163 Ų163146.5 Ų146.580%0.80379%0.79SS**  trans-175.4138.2134.9-135.559.6179.900111.9
246C31.7Very low32.9Very low114 Ų114144.7 Ų144.777%0.7779%0.792SS**  trans-103158.2156-51.10000107.7
247P43.2Very low32.6Very low119 Ų119145.6 Ų145.677%0.77380%0.804SS**  -154160.283.539.9-22000117.2
248A29.2Very low32Very low96 Ų96141.3 Ų141.379%0.79380%0.8SS**  trans62.3162.815300000117.6
249T29.4Very low31.6Very low133 Ų133139.9 Ų139.982%0.81679%0.79SS**  cis-133.1158.512.741.20000113.4
250L36.4Very low31.2Very low160 Ų160143.8 Ų143.884%0.83879%0.794SS**  trans-92.9145.5151-74.2166.7000108.6
251L32.4Very low31Very low166 Ų166145.9 Ų145.987%0.86980%0.795SS**  trans153.4104.3134.7-82.2171.2000114
252L35.8Very low30.9Very low167 Ų167147.3 Ų147.387%0.87480%0.803SS**  trans18.2115.2130.7-170.475.4000119.9
253S28.5Very low31.2Very low107 Ų107143 Ų14375%0.74880%0.797SS**  trans-164.5144.2141.1-1430000116.4
254R29.2Very low31.5Very low237 Ų237144.8 Ų144.889%0.89480%0.798SS**  trans54.4130.6153.1-86.8178.8162.6143.9-3.5124.2
255Q31.8Very low31.8Very low178 Ų178140.3 Ų140.383%0.83280%0.796SS**  trans-78.8-168.9158.3-43.6175.7-2.200111.3
256P42.2Very low32.2Very low122 Ų122136.5 Ų136.579%0.79280%0.799SS**  cis-132.3-164.8-7.529.7-4.6000114.7
257A30.6Very low32.2Very low103 Ų103135.2 Ų135.285%0.85181%0.805SS**  trans-100.4158.4-171.200000116.3
258S29Very low31.8Very low113 Ų113133.6 Ų133.679%0.7981%0.809SS**  trans-174.5140.8163.61760000109.1
259S29.3Very low32Very low86 Ų86133 Ų13360%0.60181%0.813SS**  cis-161.2167.6-15.153.40000111.2
260R31.1Very low32.2Very low232 Ų232135.3 Ų135.388%0.87581%0.814SS**  trans85.6137.5167.8-52.3176.2-162-1512.9116.9
261R27.3Very low32Very low223 Ų223133 Ų13384%0.84281%0.807SS**  cis-161.8151.9-17.7173.3172.5-89.7-160.9-4.5108.5
262C29.1Very low31.9Very low108 Ų108134.1 Ų134.173%0.7381%0.805SS**  trans-2.2149.6155.7-52.40000118.5
263S33.5Very low31.5Very low97 Ų97131 Ų13168%0.67880%0.797SS**  cis178.4172.95.7-102.70000108.5
264D32.4Very low31.6Very low150 Ų150132.2 Ų132.280%0.80280%0.8SS**  cis-155.5-177.2-3.5-133.8-73.3000111.7
265G33.3Very low31.6Very low72 Ų72127.3 Ų127.374%0.74280%0.8SS**  trans84.5159.9170.400000114.9
266G31.8Very low31.5Very low84 Ų84127.5 Ų127.587%0.86680%0.801SS**  cis158.8108.70.300000108.2
267G31.7Very low30.7Very low87 Ų87129.7 Ų129.790%0.89780%0.801SS**  trans-101.8172.4-161.300000116.8
268G33.4Very low30.5Very low84 Ų84132.7 Ų132.787%0.86680%0.797SS**  trans128.6162.2172.600000113.3
269G33Very low30.8Very low84 Ų84133.9 Ų133.987%0.86679%0.794SS**  trans115.1101.716800000115.3
270E34.2Very low31.2Very low181 Ų181135.4 Ų135.485%0.84680%0.801SS**  trans-86.9163.9174-63.2176.388.200112.9
271V31.8Very low31.4Very low112 Ų112128.7 Ų128.768%0.67980%0.796SS**  trans66.9106.6136.1164.30000120.8
272F30Very low32.3Very low190 Ų190124 Ų12483%0.83379%0.794SS**  trans67.1140.7136.1-78.2-104.1000124.7
273S27.8Very low33.4Very low100 Ų100124.5 Ų124.570%0.69980%0.796SS**  trans86.3112.3141.6-72.70000123.5
274V31.6Very low34.6Very low134 Ų134125.5 Ų125.581%0.81280%0.8SS**  55.8111.1128-174.60000119.7
275C27.9Very low34.3Very low133 Ų133124.2 Ų124.290%0.89980%0.803SS**  -160.1-174.6121.9-131.10000112.4
276Q30.1Very low34.1Very low183 Ų183126.3 Ų126.386%0.85581%0.806SS**  trans-124.1175.9-165.3-177.1168.8-10.400112.9
277E26.5Very low33.9Very low168 Ų168127.6 Ų127.679%0.78580%0.801SS**  trans90.5154.6-175.1-57.9-159.666.200115
278H25.8Very low33.7Very low166 Ų166130.6 Ų130.677%0.76980%0.797SS**  cis-139.3176.53.6-160.680.2000111
279L35.4Very low33.8Very low138 Ų138137.3 Ų137.372%0.72380%0.796SS**  trans-131.4142.9-173.7-152.9169.5000111.1
280P38Very low33.5Very low118 Ų118141.7 Ų141.777%0.76679%0.794SS**  trans-118.8137.5165.534-22000114.4
281A34.2Very low33.3Very low91 Ų91138.2 Ų138.275%0.75279%0.789SS**  trans-98.7172.8167.100000111.2
282P47.3Very low33.3Very low123 Ų123141.2 Ų141.280%0.79980%0.801SS**  -152.5-167.9105.539.3-20.5000113.5
283P51.2Low33.6Very low119 Ų119137.8 Ų137.877%0.77380%0.798SS**  -123.8174.9-60.537.3-22.8000113.4
284P58.9Low33.7Very low119 Ų119140.9 Ų140.977%0.77381%0.805SS**  trans-125.6170.7-163.843-31.1000117.5
285S27.1Very low33.5Very low123 Ų123140.8 Ų140.886%0.8681%0.806SS**  trans-174.1149.8152.9-87.20000110.6
286S28Very low33.5Very low116 Ų116139.3 Ų139.381%0.81180%0.796SS**  cis-154.5-178.3-1.953.90000112.3
287S28.1Very low33.6Very low110 Ų110138 Ų13877%0.76980%0.795SS**  trans-24.2139.4-174-75.20000120
288N28.1Very low34.4Very low151 Ų151135.4 Ų135.481%0.80779%0.793SS**  cis92.7146.330.1-155.914.2000115.3
289R34.4Very low34.6Very low224 Ų224132.2 Ų132.285%0.84579%0.788SS**  trans-90154.3-164.3-60.5179.1176.1-168.5-0.6114.5
290H28.1Very low34.3Very low176 Ų176136.1 Ų136.182%0.81579%0.793SS**  trans-136.6124.8158.8-77.5-77.8000114.5
291S28.1Very low34Very low108 Ų108135.5 Ų135.576%0.75579%0.788SS**  trans29.7125.4148.454.30000122.8
292L32.3Very low34.8Very low176 Ų176135.8 Ų135.892%0.92178%0.782SS**  trans-113.9137.9148.4-77172.9000109.8
293P36.2Very low34Very low117 Ų117138.1 Ų138.176%0.7678%0.782SS**  trans-108.9141.9171.236.9-29000114.3
294L29.8Very low33.1Very low165 Ų165139.6 Ų139.686%0.86478%0.778SS**  trans41.3124.5140.5-132.874.5000122.5
295T27.4Very low31.9Very low133 Ų133141.2 Ų141.282%0.81677%0.773SS**  trans176.9119.4139.524.80000106.1
296S29.5Very low32.3Very low101 Ų101142 Ų14271%0.70676%0.763SS**  cis96.494.444.772.70000113.9
297D31.8Very low32.7Very low156 Ų156140.1 Ų140.183%0.83475%0.754SS**  trans-52.8165.4155.4-75.6-67.3000112.3
298P43.7Very low33.2Very low114 Ų114142.9 Ų142.974%0.7476%0.76SS**  cis-151.6145.83239.5-16.8000121.6
299C28.4Very low33.4Very low98 Ų98140.1 Ų140.166%0.66275%0.752SS**  63.4163125.2-147.40000124.8
300W29.8Very low33.4Very low220 Ų220134.9 Ų134.983%0.83375%0.75SS**  trans76.4138169-58.296.8000118.4
301T31.8Very low33.7Very low106 Ų106135.9 Ų135.965%0.6575%0.752SS**  cis179.1-169.8-22.119.80000108.5
302P51.5Low34.1Very low97 Ų97135.8 Ų135.863%0.6375%0.747SS**  cis-132.8175.4-33.929.4-9.1000114.3
303H30.2Very low34.5Very low171 Ų171135.2 Ų135.279%0.79275%0.745SS**  trans146.8106.1135.3-87.3-79.4000109.9
304H31.6Very low34.8Very low151 Ų151135.1 Ų135.170%0.69974%0.744SS**  cis87.487.645.3-167.8-63.4000114.2
305K33.8Very low35Very low153 Ų153139 Ų13967%0.66575%0.747SS**  -169.4139.1121.4-101.1-172.2169.1-75.70112.4
306E34.8Very low35.7Very low139 Ų139138.2 Ų138.265%0.6574%0.744SS**  trans30142.9144-68.2124.3-137.900122.5
307A36.3Very low36.1Very low76 Ų76145.1 Ų145.163%0.62876%0.755SS**  cis-171.9144-12.400000110.9
308L39.1Very low36Very low169 Ų169145.1 Ų145.189%0.88575%0.75SS**  trans57.2141.7150.6-59.8167.6000119.5
309S33.5Very low35.3Very low93 Ų93149.6 Ų149.665%0.6575%0.752SS**  cis-166.3142.3-10.252.90000110.9
310S33.5Very low35.5Very low114 Ų114150.6 Ų150.680%0.79776%0.76SS**  trans51.9150.5142.4-53.60000122.3
311F34.3Very low36.1Very low196 Ų196146.4 Ų146.486%0.8676%0.761SS**  cis168.9152.9-28.7-132-87000105.9
312T37.5Very low36.2Very low106 Ų106147 Ų14765%0.6577%0.769SS**  trans91.583.7152.6-39.90000121.9
313L40.6Very low35.5Very low165 Ų165147.1 Ų147.186%0.86478%0.779SS**  73.3152.2128.4-62.2177.2000123.7
314P42.6Very low35.7Very low115 Ų115150.9 Ų150.975%0.74779%0.786SS**  trans-107.5163.8-179.241.3-35000115.2
315R33.9Very low35.8Very low246 Ų246153.3 Ų153.393%0.92879%0.789SS**  trans-156.1142.2154-121177.7178.8-173.8-0.2112.7
316P42.5Very low35.9Very low117 Ų117156.9 Ų156.976%0.7680%0.799SS**  trans-100.4152.2-169.936.9-35000116.1
317R36Very low35.9Very low246 Ų246157.7 Ų157.793%0.92880%0.802SS**  trans49.7117155.9-74.7-176168.6-178.7-2.4120
318Q31.2Very low35.8Very low156 Ų156159 Ų15973%0.72981%0.806SS**  trans-143.6148.9131.9-95.1-143.844.400113.3
319R29.3Very low35.4Very low208 Ų208160.2 Ų160.279%0.78581%0.805SS**  trans30.9112.2156.5-70-179.6162.185.41.6119.5
320S32.3Very low35.5Very low118 Ų118167.7 Ų167.783%0.82582%0.819SS**PPolyproline II helixtrans-74.5136.9147.144.40000110.8
321P42.9Very low35.4Very low132 Ų132166.1 Ų166.186%0.85781%0.813SS**PPolyproline II helixtrans-85.116917334.8-34.8000112.2
322S33.9Very low35.2Very low118 Ų118168 Ų16883%0.82582%0.815SS**PPolyproline II helixtrans-100.3167.3-176.855.10000114
323A36.6Very low35Very low101 Ų101168.8 Ų168.884%0.83582%0.824SS**  trans71.8114.6165.100000119.7
324R34.3Very low34.8Very low250 Ų250165.8 Ų165.894%0.94382%0.817SS**  trans-140.3145.9141-175.8158.2-79.1-133.8-1.1110.7
325R33.6Very low34.3Very low202 Ų202163.7 Ų163.776%0.76282%0.816SS**  trans-124.5124.2-173.4169.9-166.9177.2-157.72.5109.7
326R34.3Very low34.3Very low228 Ų228159.9 Ų159.986%0.8681%0.809SS**  trans176.7132.4156.8-91.9146.2-159.3-96.47106.4
327H36.5Very low33.8Very low155 Ų155161.2 Ų161.272%0.71881%0.805SS**  cis87.588.349.4-73.8-63.7000114.2
328S34.3Very low33.6Very low103 Ų103158.7 Ų158.772%0.7280%0.804SS**  trans-137.4134.9142.947.70000104.9
329F30.7Very low33.7Very low195 Ų195159.5 Ų159.586%0.85581%0.808SS**  cis74.99426.6-130.3-73.6000112.9
330W35.8Very low33.7Very low250 Ų250158.2 Ų158.295%0.94781%0.811SS**  trans-129.6134.4161.1-96.874000107
331A29.8Very low33.6Very low82 Ų82161.6 Ų161.668%0.67881%0.81SS**  trans-99.7146.5-171.600000111.9
332R31Very low33.2Very low236 Ų236164 Ų16489%0.89181%0.81SS**  trans-78.6133.1165.7177.2-178.4-177.5165.90.7108.2
333S32.9Very low33.1Very low121 Ų121167.9 Ų167.985%0.84682%0.815SS**  trans-122.7143.2168.2-165.30000109.5
334S35.7Very low32.6Very low103 Ų103171.2 Ų171.272%0.7281%0.814SS**  trans-163.3124.8-177.952.20000110.7
335G33Very low32.2Very low71 Ų71167.3 Ų167.373%0.73281%0.808SS**  trans168.5156.3-18000000107.7
336Q33.7Very low32Very low165 Ų165166 Ų16677%0.77181%0.811SS**  cis-158.51784.6-139.4171.4-82.700109.9
337E31.7Very low33.3Very low145 Ų145160.5 Ų160.568%0.67880%0.804SS**  trans61.2154.4176.8-74.383.1-109.800117.4
338E32.7Very low33.6Very low193 Ų193158.7 Ų158.790%0.90281%0.807SS**  cis-141.2-175.73.9-142.6169.7-148.900112.6
339E32.9Very low34.4Very low173 Ų173158.8 Ų158.881%0.80881%0.805SS**  trans-127.8135.1-161.9179.8-170.1119.900114.3
340Q30.2Very low34.3Very low182 Ų182157.2 Ų157.285%0.8580%0.804SS**  trans166153.4155.7-97.8160.278.100109.9
341K30.2Very low33.8Very low188 Ų188151.4 Ų151.482%0.81780%0.801SS**  cis-160.1155.4-11.7-174.5-174.8169.3-163.60107.9
342E33.3Very low33.8Very low184 Ų184152 Ų15286%0.8681%0.805SS**  trans-70.5150171.6-67.4173.1113.700114.2
343E31.2Very low33.7Very low198 Ų198146.5 Ų146.593%0.92580%0.803SS**  trans-152.4159135.3-153.4160.9-145.700111.2
344E26.5Very low33.7Very low172 Ų172147.2 Ų147.280%0.80480%0.802SS**  trans-120173.4-170.7-172.7175.8105.200111.6
345M25.6Very low34.4Very low168 Ų168147.8 Ų147.883%0.82880%0.803SS**  trans101.3146.4152.6-145.760146.400118.8
346Q29.7Very low35.4Very low175 Ų175149.6 Ų149.682%0.81880%0.802SS**  trans-117.4-163.2179.4-59.6-178.6-30.300110.2
347P62.8Low36.2Very low111 Ų111146.5 Ų146.572%0.72180%0.797SS**  -106.7-159.8-72.634.2-17.6000110.2
348P41Very low36.1Very low118 Ų118147.8 Ų147.877%0.76680%0.802SS**  -153.1-148.694.847.2-25.7000113.5
349P51.6Low36Very low105 Ų105149.1 Ų149.168%0.68280%0.799SS**  -139.2-161-121.636.7-9.5000117.6
350L28.2Very low35.9Very low161 Ų161143.9 Ų143.984%0.84379%0.792SS**  trans82149.3168.4-48.2180000116.6
351C26.7Very low36.2Very low129 Ų129140.8 Ų140.887%0.87279%0.79SS**  cis-143.4-178.6-1.8-1460000111.7
352A29.2Very low36.5Very low93 Ų93140.8 Ų140.877%0.76979%0.793SS**  trans-118.1149.2-167.300000116
353S28.4Very low36.3Very low121 Ų121136.8 Ų136.885%0.84679%0.791SS**  trans-170.7148144.157.20000114.3
354T32.8Very low36.4Very low136 Ų136135.5 Ų135.583%0.83479%0.789SS**  trans-136179163.4-2.50000105.8
355P50.7Low36.7Very low115 Ų115134.9 Ų134.975%0.74779%0.791SS**  cis-139-123.331290.9000115.4
356P55.1Low37Very low109 Ų109134.5 Ų134.571%0.70879%0.792SS**  -126.3-143.1-105.345.5-26.4000112.4
357P49Very low37.1Very low101 Ų101134.8 Ų134.866%0.65680%0.797SS**  cis-137.2174.3-19.841.1-24.1000117
358H29.7Very low35.5Very low171 Ų171134.2 Ų134.279%0.79280%0.796SS**  trans63.7165.8146.9-103.5-45.4000119.5
359R31.2Very low35.2Very low222 Ų222133.7 Ų133.784%0.83880%0.796SS**  cis-160.2153.5-2.6-177.1-178.2-119.4-162.9-2110.5
360G30.3Very low34.4Very low63 Ų63134.8 Ų134.865%0.64981%0.805SS**  trans126.2126167.100000112.5
361S37.3Very low34.7Very low116 Ų116132.2 Ų132.281%0.81180%0.801SS**  cis71.6124.328-44.90000112
362E35.9Very low35.3Very low189 Ų189134.8 Ų134.888%0.88381%0.805SS**  cis-136.3-177.510.4-63.3-170.3146.800110
363A30Very low35.7Very low99 Ų99134.6 Ų134.682%0.81880%0.798SS**  cis-149.3170.517.800000113.2
364L32.7Very low36Very low171 Ų171133.9 Ų133.990%0.89579%0.793SS**  trans-91.2156.1-172.5-86.2169000115
365L33Very low36.1Very low159 Ų159136.1 Ų136.183%0.83280%0.799SS**  trans-61.1137165.5-62.7163.4000110.9
366L32.5Very low35.6Very low161 Ų161135 Ų13584%0.84379%0.794SS**  172.3111116.2-92.8170.7000111.7
367L30.5Very low34.8Very low180 Ų180138.1 Ų138.194%0.94280%0.799SS**  trans-148.6152.6140.2-145.669.3000109.7
368S30.7Very low34.2Very low99 Ų99141.5 Ų141.569%0.69281%0.811SS**  trans-118.7162.1-166.6-165.20000112.4
369S33.4Very low34.7Very low108 Ų108141.1 Ų141.176%0.75581%0.814SS**  trans61.788.3157.5-58.20000118.8
370S34.1Very low34.7Very low127 Ų127135.7 Ų135.789%0.88881%0.81SS**  trans-142.4123.5150-72.10000112.6
371S35.9Very low34.6Very low108 Ų108138.6 Ų138.676%0.75582%0.82SS**  trans-48.6143.2179.2-50.50000116.7S373S371-S373 PolarHBondContact O-N 3.2Å
372L38.8Very low34.3Very low182 Ų182139.3 Ų139.395%0.95383%0.825SS**SBendtrans-66.190.9163-71.9168.7000110.4
373S38.4Very low34Very low89 Ų89135.6 Ų135.662%0.62282%0.82SS**  trans-154.254.4-178.2-68.30000113.2S371S371-S373 PolarHBondContact O-N 3.2Å
374S34.9Very low34.1Very low106 Ų106135.6 Ų135.674%0.74181%0.814SS**  trans-15259.9176.9-68.70000114.3
375L34.7Very low34.4Very low184 Ų184133.9 Ų133.996%0.96381%0.811SS**SBendtrans-142.343.1158.1-85.8-173.1000111.3
376S40.3Very low34.7Very low92 Ų92131.9 Ų131.964%0.64381%0.808SS**  trans-1288.6-179.848.10000113.6
377Q38.3Very low35Very low174 Ų174128.9 Ų128.981%0.81381%0.806SS**  trans-117.139.3-173.3-68.6-169.9-18.600114.3
378L35.8Very low35.4Very low172 Ų172125.5 Ų125.590%0.90180%0.795SS**SBendtrans-119.410.9162.7-80.4175000113.4
379L39.2Very low35.8Very low163 Ų163126.7 Ų126.785%0.85380%0.8SS**SBendtrans-137.949.2174.8-78.3173.8000111.7
380S32Very low35.7Very low107 Ų107127.9 Ų127.975%0.74881%0.807SS**  trans-161.685.3166.6-81.40000112.2
381S28.6Very low35.6Very low125 Ų125132.9 Ų132.987%0.87481%0.806SS**  trans-164.788.4157.1-83.40000110.6
382S31.5Very low35.5Very low130 Ų130139.1 Ų139.191%0.90981%0.813SS**  trans-157.5131.2155.6-94.30000107.8
383S29.5Very low35.2Very low111 Ų111140 Ų14078%0.77681%0.812SS**  trans-92.6137.1-164.252.10000114.3
384S31Very low34.9Very low99 Ų99141.2 Ų141.269%0.69282%0.821SS**  trans-1.8129.7145.456.50000119.4
385T40.3Very low35.1Very low136 Ų136143.2 Ų143.283%0.83482%0.822SS**  168.9173.2126.143.20000108.5
386P39.3Very low35.6Very low117 Ų117140.4 Ų140.476%0.7682%0.815SS**  -114.5164.8-8727.8-8.4000113.8
387A37.7Very low35.5Very low98 Ų98142.2 Ų142.281%0.8182%0.823SS**  trans-79.6135.6-179.600000113.1
388P38.2Very low35.2Very low108 Ų108137.8 Ų137.870%0.70182%0.816SS**  trans-81.8149.5168.633.2-33.8000111.9C390P388-C390 PolarHBondContact O-N 2.93Å
389P39.5Very low35.3Very low124 Ų124134.1 Ų134.181%0.80581%0.81SS**  trans-87.2106.9-175.632.7-33.8000113R391P389-R391 VanDerWaalsContact C-N 3.29Å; P389-R391 PolarHBondContact O-N 3.48Å
390C31.4Very low35Very low133 Ų133135 Ų13590%0.89981%0.807SS**  trans-71.479.5172-67.20000112.3P388P388-C390 PolarHBondContact O-N 2.93Å
391R33.1Very low35.1Very low233 Ų233137.8 Ų137.888%0.87981%0.814SS**  trans-70.2141.9170.7-167.4176.6-171.3168.72.1110.1P389 Q393P389-R391 VanDerWaalsContact C-N 3.29Å; P389-R391 PolarHBondContact O-N 3.48Å; R391-Q393 PolarHBondContact O-N 3.05Å
392R33.3Very low35.3Very low239 Ų239137.9 Ų137.990%0.90281%0.81SS**  trans-53.7134.9173.8-72.4178.3168.2-140.20.9112
393Q32Very low35.6Very low200 Ų200136.5 Ų136.594%0.93581%0.806SS**  trans-146.5165.5144-107166.627.400109.3R391R391-Q393 PolarHBondContact O-N 3.05Å
394S33Very low36Very low114 Ų114141.6 Ų141.680%0.79781%0.81SS**  trans-104.7165.1-159.652.20000114.9
395L38.9Very low36Very low148 Ų148142.7 Ų142.778%0.77582%0.816SS**  trans-24.3145.2148.9-78170.5000114
396P45.3Very low35.9Very low125 Ų125145.9 Ų145.981%0.81282%0.818SS**  -138.4167.465.840.6-25.8000118.5
397T38.4Very low35.7Very low130 Ų130148.3 Ų148.380%0.79882%0.824SS**  trans-60.8137170.1-48.90000112.7
398A30.8Very low35.5Very low81 Ų81148.3 Ų148.367%0.66982%0.824SS**  trans-141.6137.6158.200000109.2F400A398-F400 HydrophobicContact CB-CE2 4.35Å
399A38.1Very low35.2Very low95 Ų95152.5 Ų152.579%0.78583%0.834SS**  trans-97.3141.6177.800000110.5
400F32.7Very low34.8Very low181 Ų181149.5 Ų149.579%0.79483%0.826SS**  trans-126.298173.2-81.5-82.4000111A398A398-F400 HydrophobicContact CB-CE2 4.35Å
401N35.2Very low35Very low167 Ų167152.6 Ų152.689%0.89383%0.827SS**  trans-74.3134.3149.4-94.2-31.2000107.7
402T33.1Very low35.3Very low127 Ų127149.1 Ų149.178%0.77983%0.826SS**  trans-149.396.1168.5-570000109.7
403A36.6Very low35.4Very low100 Ų100145.7 Ų145.783%0.82682%0.82SS**  trans-123.698.7169.200000108.6
404Y37.8Very low35.5Very low218 Ų218140 Ų14086%0.85580%0.802SS**  trans22116.6160.9-131.9-91.3000119.9
405C32Very low35.4Very low123 Ų123143.6 Ų143.683%0.83180%0.804SS**  trans-78.1139.8164.8-57.80000111.4
406K37.5Very low35.1Very low203 Ų203144.7 Ų144.788%0.88381%0.805SS**  trans-142.3127.4154.6-163.5174.4-177.8-176.70110
407L34.8Very low34.3Very low168 Ų168149.8 Ų149.888%0.8881%0.808SS**  trans-89.5135.4-178.3-93.4157.6000111.6
408A34.6Very low34.1Very low98 Ų98148.5 Ų148.581%0.8181%0.805SS**  trans-167.9126.2141.200000110.1
409Q31.6Very low34.1Very low196 Ų196149.4 Ų149.492%0.91681%0.806SS**  trans-68.3157.1152-73.5157.7-90.500108.4
410G30.8Very low33.8Very low61 Ų61149.8 Ų149.863%0.62980%0.803SS**  cis170.2-150.70.100000109.4
411E36.2Very low33.9Very low198 Ų198149.6 Ų149.693%0.92580%0.804SS**  trans75.9133.5172.6-52.7-175.2150.100116
412D37.6Very low33.8Very low159 Ų159150.5 Ų150.585%0.8580%0.8SS**  trans-89.7161.3-177.9-51.5-95.7000111.3
413E36.9Very low33.9Very low167 Ų167150.7 Ų150.778%0.7880%0.801SS**  trans173.5123.8130.2-93.8-77.159.900113.7
414S33.2Very low33.9Very low80 Ų80152 Ų15256%0.55980%0.799SS**  40.9120.3129.6-680000124.5
415F30.8Very low34.4Very low190 Ų190146.8 Ų146.883%0.83379%0.792SS**  trans82134.9130.8-86.2-83.2000124.5
416E33.4Very low34.6Very low171 Ų171149.8 Ų149.880%0.79979%0.794SS**  trans-47.2144.6159.8-70.1168.580.600115.2
417W28Very low34.6Very low232 Ų232146.4 Ų146.488%0.87979%0.789SS**  trans-150.4142.2135.3-170.7-108.1000111.4
418S34.4Very low34.6Very low103 Ų103147.8 Ų147.872%0.7279%0.792SS**  trans-105.6136.4170.8-73.20000110.5
419S30.9Very low34.7Very low100 Ų100147.3 Ų147.370%0.69979%0.787SS**  trans-144.1143.4161-164.10000112.4
420S32.7Very low35Very low104 Ų104146.7 Ų146.773%0.72778%0.784SS**  trans-127.8129-173.6170.70000110.5
421H34.7Very low36.1Very low176 Ų176148.3 Ų148.382%0.81578%0.784SS**  trans-148.2147.7160.6-64.7-45.6000107.2
422K32.3Very low36.2Very low187 Ų187143.6 Ų143.681%0.81377%0.773SS**  cis-150.2151.87.6-162.8177.8179.2-176.40109.6
423V35.2Very low36.5Very low130 Ų130144.8 Ų144.879%0.78877%0.773SS**  trans-115.5140.2172.7172.60000109.9
424T35.8Very low37.7Very low127 Ų127141.7 Ų141.778%0.77977%0.768SS**  trans-156.6133.7154.110.50000109.4
425P49.5Very low38.2Very low109 Ų109146 Ų14671%0.70878%0.779SS**  trans-97172.6174.540.1-35.2000112
426E36Very low39.2Very low187 Ų187142.5 Ų142.587%0.87477%0.773SS**  -164.9178115.3-156.5140.2143.500109.9
427V37.2Very low40.3Very low131 Ų131143.9 Ų143.979%0.79480%0.797SS**  trans-133.2121.7-176.8172.40000110.2
428E35.4Very low40.9Very low198 Ų198139.5 Ų139.593%0.92579%0.793SS**  trans-149.6174.5154.6-137.2171.6140.800111.4
429A36.6Very low41.2Very low87 Ų87141.4 Ų141.472%0.71980%0.797SS**  trans-125.3150.9-155.300000115.2
430Q37.2Very low41.8Very low183 Ų183143.7 Ų143.786%0.85580%0.802SS**  trans47.6160149.4-78.6-157.411.400121.6
431P53.2Low42.3Very low96 Ų96146 Ų14662%0.62381%0.806SS**  cis-133.3-142.4-37.639.6-21.1000109.5
432S38.6Very low42.8Very low98 Ų98144.1 Ų144.169%0.68581%0.806SS**  trans64.7110.1165.836.10000117.7
433Q44.8Very low43.5Very low184 Ų184141.3 Ų141.386%0.8681%0.805SS**  100.7158.577-79.7-81.5-41.600111.6
434P61Low44.1Very low102 Ų102142.1 Ų142.166%0.66281%0.807SS**  trans-109.9-157.9-151.543.2-37.5000115.6
435E44.8Very low44.8Very low171 Ų171143.2 Ų143.280%0.79981%0.809SS**  trans87.5104.2175.6-57.7-147.9106.500114.9
436T50.6Low44.4Very low117 Ų117146.1 Ų146.172%0.71882%0.817SS**  73.5153.98249.50000114.3
437P56.9Low45.1Very low199 Ų199142.4 Ų142.4100%1.29281%0.812SS**  cis-94.606.138.6-34.1000116.1

Retrieved 437 of 437 residues in 121.4 ms (Link to these results)