A0A087YK59_POEFO Loading...

Nucleoside diphosphate-linked moiety X motif 6

May contribute to the regulation of cell proliferation.

AlphaFold DB , UniProt , Accession A0A087YK59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 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
1M33.4Very low28.9Very low216 Ų216159.5 Ų159.5100%1.06485%0.854SS**  094.20-93.4-177.7169.200107F215M1-F215 HydrophobicContact CE-CZ 4.16Å
2T24.7Very low29.2Very low120 Ų120156.1 Ų156.174%0.73685%0.847SS**  trans-147.589.8179.2-25.60000108.5Y4T2-Y4 HydrophobicContact CG2-CD2 3.71Å; T2-Y4 HydrophobicContact CG2-CE2 3.38Å
3T27.2Very low29Very low146 Ų146156.5 Ų156.590%0.89685%0.847SS**  trans-87.1121166.74.10000107.2
4Y31Very low29Very low207 Ų207155.2 Ų155.281%0.81284%0.838SS**  trans-117.7116.9168-86.7-73.2000109.8T2T2-Y4 HydrophobicContact CG2-CD2 3.71Å; T2-Y4 HydrophobicContact CG2-CE2 3.38Å
5A29.3Very low28.9Very low97 Ų97161 Ų16180%0.80284%0.843SS**  trans-73.4131.7175.200000110.6
6I31.3Very low28.7Very low165 Ų165155.6 Ų155.685%0.84684%0.839SS**  trans-86118.9171.9-64.6175.8000108.7
7L28.2Very low28.7Very low167 Ų167161 Ų16187%0.87484%0.844SS**  trans-72.8114.4170.5-82.8152.9000110.2
8S29.1Very low28.7Very low109 Ų109163.7 Ų163.776%0.76285%0.848SS**PPolyproline II helixtrans-90119165.960.40000110.3
9R27.9Very low28.6Very low246 Ų246159.6 Ų159.693%0.92885%0.85SS**PPolyproline II helixtrans-83.1119.3170.5-72.2-178.6178.7-129.81.1108.7
10L27.6Very low28.5Very low166 Ų166157.5 Ų157.587%0.86985%0.848SS**PPolyproline II helixtrans-103.2130.3165.5-81.9161.7000109.3
11S28.1Very low28.5Very low115 Ų115160.1 Ų160.180%0.80485%0.851SS**  trans-112.9145.6165.5-60.40000109.4
12P32.2Very low28.4Very low119 Ų119155.9 Ų155.977%0.77384%0.837SS**  trans-105.8139.3-16536.5-27.2000113.1
13L27.6Very low28.5Very low161 Ų161161.5 Ų161.584%0.84385%0.845SS**  trans-143.7112.8161-80.4170.8000113.1
14L28.2Very low28.4Very low139 Ų139159.3 Ų159.373%0.72884%0.842SS**  trans56.4110.7132.7-69.8162.2000122.9
15R27.7Very low28.3Very low242 Ų242157.2 Ų157.291%0.91384%0.843SS**  45.4116.2125.5-73.8-175.7177.4-166.30.7120
16G26Very low28.2Very low75 Ų75158 Ų15877%0.77384%0.843SS**  trans-144110.9147.700000110.8
17R27.7Very low28Very low247 Ų247155.7 Ų155.793%0.93284%0.84SS**  trans-77.5122.3173-95.4178.9169.9178.7-4.6109.1
18F30.2Very low28Very low209 Ų209152 Ų15292%0.91783%0.833SS**  trans-132.6115.8155.3-86.4-83000109
19G26.3Very low28Very low86 Ų86153.2 Ų153.289%0.88784%0.836SS**  trans-80.6122.8179.300000110.9
20C27.1Very low28Very low118 Ų118147.5 Ų147.580%0.79783%0.828SS**  trans-116.3119.6166.5-160.30000108.3V22C20-V22 PolarHBondContact O-N 3.31Å
21K28.6Very low28.1Very low212 Ų212145.2 Ų145.292%0.92283%0.825SS**  trans-71.5108.8177-77.8179.5174.9177.60109
22V29.6Very low28.2Very low127 Ų127144.5 Ų144.577%0.7782%0.82SS**  trans-106.1122.3167.8-1780000108.4C20 A24C20-V22 PolarHBondContact O-N 3.31Å; V22-A24 PolarHBondContact O-N 3.06Å
23R27.7Very low28.3Very low239 Ų239147.3 Ų147.390%0.90282%0.823SS**  trans-62.4115.8171.4-93.2176.7165.6-179.5-4.2108.9I25R23-I25 PolarHBondContact O-N 3.42Å
24A24.5Very low28.5Very low100 Ų100147.4 Ų147.483%0.82682%0.823SS**  trans-72.3116.2169.900000109.5V22V22-A24 PolarHBondContact O-N 3.06Å
25I30Very low28.6Very low163 Ų163149.1 Ų149.184%0.83683%0.827SS**  trans-88.3106162.6-62.3174.4000105.3R23 C27R23-I25 PolarHBondContact O-N 3.42Å; I25-C27 PolarHBondContact O-N 2.9Å; I25-C27 VanDerWaalsContact O-N 3.15Å
26S26.6Very low29Very low113 Ų113147 Ų14779%0.7983%0.825SS**  trans-71.6102.9175.360.70000109.3A28S26-A28 PolarHBondContact O-N 3.45Å
27C27Very low29.2Very low116 Ų116149.6 Ų149.678%0.78483%0.825SS**  trans-85104.6161.6-151.20000106.7I25 V29I25-C27 PolarHBondContact O-N 2.9Å; I25-C27 VanDerWaalsContact O-N 3.15Å; C27-V29 PolarHBondContact O-N 3.24Å
28A28.1Very low29.7Very low90 Ų90147.2 Ų147.274%0.74483%0.825SS**  trans-67.6101.917600000108.7S26 T30S26-A28 PolarHBondContact O-N 3.45Å; A28-T30 PolarHBondContact O-N 2.66Å
29V29.8Very low30.1Very low134 Ų134139.5 Ų139.581%0.81280%0.804SS**  trans-77.1104164.7-178.70000106.2C27 C31C27-V29 PolarHBondContact O-N 3.24Å; V29-C31 PolarHBondContact O-N 2.63Å
30T27Very low31.1Very low126 Ų126143.4 Ų143.477%0.77380%0.797SS**  trans-59.2107.6168.730.80000108.9A28 S32A28-T30 PolarHBondContact O-N 2.66Å; T30-S32 PolarHBondContact O-N 3.12Å
31C29.8Very low32.9Very low118 Ų118143.6 Ų143.680%0.79780%0.795SS**  trans-67.496.1163.9-171.20000107.2V29 Q33V29-C31 PolarHBondContact O-N 2.63Å; C31-Q33 PolarHBondContact O-N 3.02Å
32S29.7Very low35.4Very low100 Ų100134.9 Ų134.970%0.69977%0.765SS**  trans-73.8110.8166.649.20000107.8T30 L34T30-S32 PolarHBondContact O-N 3.12Å; S32-L34 PolarHBondContact O-N 2.54Å; S32-L34 VanDerWaalsContact O-N 3.11Å
33Q34.3Very low38.4Very low178 Ų178129.4 Ų129.483%0.83273%0.731SS**  trans-60.5112.1167.5-68.1-171-10.500108.3C31 H35C31-Q33 PolarHBondContact O-N 3.02Å; Q33-H35 PolarHBondContact O-N 3.27Å
34L32.3Very low41.4Very low163 Ų163122.9 Ų122.985%0.85372%0.718SS**  trans-72.8111.6172.6-90.8154.6000108.9S32 K36S32-L34 PolarHBondContact O-N 2.54Å; S32-L34 VanDerWaalsContact O-N 3.11Å; L34-K36 PolarHBondContact O-N 2.94Å
35H29.8Very low44.7Very low176 Ų176119.6 Ų119.682%0.81569%0.694SS**  trans-55.1127158.1-90.8-94.3000109.5Q33 V37Q33-H35 PolarHBondContact O-N 3.27Å; H35-V37 PolarHBondContact O-N 3.35Å
36K36Very low47.8Very low197 Ų197118.8 Ų118.886%0.85768%0.684SS**  trans-55.2114.9166.6-100.4177.4169.7-176.90109.9L34L34-K36 PolarHBondContact O-N 2.94Å
37V31.4Very low51.1Low130 Ų130117.4 Ų117.479%0.78867%0.671SS**  trans-123.6118.2151.6179.40000105.1H35 G39H35-V37 PolarHBondContact O-N 3.35Å; V37-G39 PolarHBondContact O-N 2.92Å
38E37.4Very low54.2Low196 Ų196114.7 Ų114.792%0.91665%0.648SS**  trans-67.685.3175-74.4179.2160.300109.4
39G38.7Very low57.2Low48 Ų48118.8 Ų118.850%0.49565%0.645SS.*  trans-129.5124.1161.100000106.7V37 V41V37-G39 PolarHBondContact O-N 2.92Å; G39-V41 PolarHBondContact O-N 2.87Å
40F47.2Very low60Low167 Ų167119.5 Ų119.573%0.73264%0.637SS**  trans-59.1108.6176.4-89.9-86.6000109G42 L74F40-G42 PolarHBondContact O-N 3Å; F40-L74 HydrophobicContact CD1-CD2 3.49Å; F40-L74 VanDerWaalsContact CD1-CD2 3.49Å; F40-L74 HydrophobicContact CE1-CD2 4.05Å; F40-L74 HydrophobicContact CG-CD2 4.44Å
41V65.4Low63.1Low123 Ų123114.4 Ų114.475%0.74561%0.609SS**PPolyproline II helixtrans-72.4118.9173.1-177.80000106.6G39G39-V41 PolarHBondContact O-N 2.87Å
42G80.5Confident66.3Low29 Ų29108.9 Ų108.930%0.29957%0.572SS.*PPolyproline II helixtrans-56.8165.517700000112.6F40 T44F40-G42 PolarHBondContact O-N 3Å; G42-T44 PolarHBondContact O-N 3.45Å
43L92.9Very high69.5Low12 Ų12104.1 Ų104.16%0.06354%0.539CS..PPolyproline II helixtrans-56.9133.2176.4-62.7173.3000110.1V55 V60 F71 L75 S78 W82L43-V55 HydrophobicContact CB-CG1 4.35Å; L43-V60 HydrophobicContact CD2-CG1 3.83Å; L43-F71 HydrophobicContact CD1-CE2 4.08Å; L43-F71 HydrophobicContact CD1-CZ 4.38Å; L43-L75 HydrophobicContact CD1-CB 4.47Å; L43-L75 HydrophobicContact CD1-CD1 4.02Å; L43-S78 WeakPolarHBondContact CB-OG 3.46Å; L43-S78 PolarHBondContact N-OG 3.4Å; L43-W82 HydrophobicContact CB-CH2 3.87Å; L43-W82 HydrophobicContact CB-CZ2 4.1Å; L43-W82 HydrophobicContact CD1-CH2 4.43Å; L43-W82 WeakPolarHBondContact O-CZ2 3.42Å
44T90.2Very high72.5Confident102 Ų10297.9 Ų97.963%0.62651%0.513SS*.PPolyproline II helixtrans-98134.2174.355.80000110.2G42G42-T44 PolarHBondContact O-N 3.45Å
45G93.9Very high75.7Confident30 Ų3090.1 Ų90.131%0.30947%0.473SS..  trans-135.5162.4178.200000113T54G45-T54 CarbonylContact C-O 3.59Å; G45-T54 WeakPolarHBondContact CA-O 3.34Å
46K96.1Very high78.9Confident146 Ų14683.4 Ų83.464%0.63544%0.443SS*.EExtended strand (participates in β ladder)trans-80.3129.2174.8-67.1174.3-175.7160.40109.1T54 E59K46-T54 PolarHBondContact N-O 3.13Å; K46-T54 PolarHBondContact O-N 3.27Å; K46-E59 IonicContact NZ-OE2 3.49Å
47V96Very high81.8Confident84 Ų8474.1 Ų74.151%0.50940%0.402SS..EExtended strand (participates in β ladder)trans-91.8130.2179.9-175.80000109.9G52 V53V47-G52 CarbonylContact C-O 3.57Å; V47-G52 VanDerWaalsContact CA-O 3.29Å; V47-G52 WeakPolarHBondContact CA-O 3.48Å; V47-V53 HydrophobicContact CG2-CG2 4.38Å
48D92.2Very high84.7Confident59 Ų5971.2 Ų71.232%0.31639%0.392SS..PPolyproline II helixtrans-89.7170.617471.742.1000112.7F50 G51 G52D48-F50 PolarHBondContact O-N 2.94Å; D48-F50 VanDerWaalsContact O-N 3.14Å; D48-F50 VanDerWaalsContact OD1-C 3.32Å; D48-F50 VanDerWaalsContact OD1-CA 3.27Å; D48-F50 WeakPolarHBondContact OD1-CA 3.18Å; D48-F50 WeakPolarHBondContact OD1-CB 3.48Å; D48-F50 PolarHBondContact OD1-N 2.86Å; D48-G51 PolarHBondContact O-N 2.85Å; D48-G51 VanDerWaalsContact O-N 3.15Å; D48-G51 PolarHBondContact OD1-N 2.74Å; D48-G51 VanDerWaalsContact OD1-N 3.08Å; D48-G52 PolarHBondContact N-O 2.78Å; D48-G52 PolarHBondContact OD1-N 3.33Å; D48-G52 WeakPolarHBondContact OD2-CA 3.28Å
49R89.9Confident87.4Confident177 Ų17767.9 Ų67.967%0.66838%0.377SS*.THydrogen-bonded Turntrans-65.5-13.6-178.669.5179.8180-177.9-1.4114.7
50F89.9Confident89.9Confident149 Ų14967.7 Ų67.765%0.65437%0.366SS*.THydrogen-bonded Turntrans-102.16.4179.9-55.9-68.2000112.1D48D48-F50 PolarHBondContact O-N 2.94Å; D48-F50 VanDerWaalsContact O-N 3.14Å; D48-F50 VanDerWaalsContact OD1-C 3.32Å; D48-F50 VanDerWaalsContact OD1-CA 3.27Å; D48-F50 WeakPolarHBondContact OD1-CA 3.18Å; D48-F50 WeakPolarHBondContact OD1-CB 3.48Å; D48-F50 PolarHBondContact OD1-N 2.86Å
51G91.8Very high92Very high18 Ų1863 Ų6319%0.18636%0.364CS..SBendtrans79.716.4179.700000114D48 K87 M88D48-G51 PolarHBondContact O-N 2.85Å; D48-G51 VanDerWaalsContact O-N 3.15Å; D48-G51 PolarHBondContact OD1-N 2.74Å; D48-G51 VanDerWaalsContact OD1-N 3.08Å; G51-K87 WeakPolarHBondContact O-CA 3.07Å; G51-M88 PolarHBondContact O-N 3.07Å
52G95.9Very high93.2Very high2 Ų258.5 Ų58.52%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-78.9148.8168.100000111.9V47 D48 A89V47-G52 CarbonylContact C-O 3.57Å; V47-G52 VanDerWaalsContact CA-O 3.29Å; V47-G52 WeakPolarHBondContact CA-O 3.48Å; D48-G52 PolarHBondContact N-O 2.78Å; D48-G52 PolarHBondContact OD1-N 3.33Å; D48-G52 WeakPolarHBondContact OD2-CA 3.28Å; G52-A89 CarbonylContact C-O 3.53Å; G52-A89 WeakPolarHBondContact CA-O 3.46Å
53V97.8Very high93.7Very high1 Ų160.6 Ų60.61%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-115.3123.9175.2-175.70000109.7V47 V55 W82 K87 A89 V90 W91V47-V53 HydrophobicContact CG2-CG2 4.38Å; V53-V55 HydrophobicContact CG1-CG2 4.36Å; V53-W82 HydrophobicContact CG1-CD2 4.45Å; V53-W82 HydrophobicContact CG1-CZ2 3.92Å; V53-W82 HydrophobicContact CG2-CG 4.25Å; V53-K87 HydrophobicContact CG2-CB 4.01Å; V53-K87 HydrophobicContact CG2-CD 3.73Å; V53-K87 HydrophobicContact CG2-CG 3.58Å; V53-A89 PolarHBondContact N-O 3.31Å; V53-V90 CarbonylContact O-C 3.58Å; V53-V90 WeakPolarHBondContact O-CA 3.25Å; V53-W91 PolarHBondContact O-N 3.41Å
54T98.1Very high93.4Very high47 Ų4765.1 Ų65.129%0.28837%0.372SS..EExtended strand (participates in β ladder)trans-108.9120.3176.1-56.60000111.2G45 K46 W91G45-T54 CarbonylContact C-O 3.59Å; G45-T54 WeakPolarHBondContact CA-O 3.34Å; K46-T54 PolarHBondContact N-O 3.13Å; K46-T54 PolarHBondContact O-N 3.27Å; T54-W91 WeakPolarHBondContact CA-O 3.29Å; T54-W91 HydrophobicContact CG2-CB 4.09Å
55V98.1Very high93.4Very high0 Ų066.2 Ų66.20%037%0.374CS..EExtended strand (participates in β ladder)trans-108.5121.3176.1-171.60000109.1L43 V53 L57 V60 W82 W91 L92 Q93L43-V55 HydrophobicContact CB-CG1 4.35Å; V53-V55 HydrophobicContact CG1-CG2 4.36Å; V55-L57 HydrophobicContact CG1-CD2 3.89Å; V55-V60 HydrophobicContact CG1-CG2 3.55Å; V55-W82 HydrophobicContact CG2-CH2 3.63Å; V55-W82 HydrophobicContact CG2-CZ2 3.8Å; V55-W91 PolarHBondContact N-O 2.98Å; V55-L92 HydrophobicContact CB-CD2 3.76Å; V55-L92 HydrophobicContact CG1-CD2 4.45Å; V55-L92 HydrophobicContact CG2-CD2 4.06Å; V55-Q93 PolarHBondContact O-N 2.82Å
56N97.3Very high93.5Very high34 Ų3465.5 Ų65.518%0.18236%0.363CS..EExtended strand (participates in β ladder)trans-94.9105.3170.3-177.7-2.4000109.6A58 E59 V60 Q93N56-A58 PolarHBondContact O-N 3.39Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.42Å; N56-A58 PolarHBondContact OD1-N 3.39Å; N56-A58 VanDerWaalsContact OD1-N 3.09Å; N56-E59 HydrophobicContact CB-CB 4.26Å; N56-E59 HydrophobicContact CB-CG 4.28Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 PolarHBondContact O-N 2.93Å; N56-V60 WeakPolarHBondContact O-CG2 3.35Å; N56-V60 PolarHBondContact O-N 2.94Å; N56-Q93 VanDerWaalsContact CG-OE1 3.23Å; N56-Q93 PolarHBondContact ND2-OE1 3.41Å
57L96.8Very high93.6Very high2 Ų261.3 Ų61.31%0.0135%0.352CS..THydrogen-bonded Turntrans-64-21.4-176-62.7-167.8000113.3V55 E59 V60 L62 F71 Q93 V94 L98 C101V55-L57 HydrophobicContact CG1-CD2 3.89Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.32Å; L57-V60 HydrophobicContact CD2-CG2 4.41Å; L57-L62 HydrophobicContact CD2-CD1 4.08Å; L57-F71 HydrophobicContact CD1-CE2 3.84Å; L57-F71 HydrophobicContact CD1-CZ 3.81Å; L57-F71 HydrophobicContact CD2-CE2 3.81Å; L57-F71 HydrophobicContact CD2-CZ 4.15Å; L57-Q93 WeakPolarHBondContact CB-O 3.39Å; L57-Q93 PolarHBondContact N-O 2.86Å; L57-V94 HydrophobicContact CD1-CB 4.38Å; L57-V94 HydrophobicContact CD1-CG1 4.3Å; L57-V94 HydrophobicContact CD1-CG2 3.77Å; L57-V94 HydrophobicContact CG-CG2 4.44Å; L57-L98 HydrophobicContact CB-CD1 3.97Å; L57-C101 HydrophobicContact CD1-CB 3.67Å
58A93.3Very high93.7Very high69 Ų6961.9 Ų61.957%0.5735%0.349SS*.THydrogen-bonded Turntrans-68.9-25.2172.500000112.7N56 P95N56-A58 PolarHBondContact O-N 3.39Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.42Å; N56-A58 PolarHBondContact OD1-N 3.39Å; N56-A58 VanDerWaalsContact OD1-N 3.09Å; A58-P95 HydrophobicContact CB-CG 4.2Å
59E93.9Very high93.9Very high127 Ų12765 Ų6559%0.59337%0.366SS*.THydrogen-bonded Turntrans-97-14.7-178.4-70173.1-15000113.1K46 N56 L57 G61K46-E59 IonicContact NZ-OE2 3.49Å; N56-E59 HydrophobicContact CB-CB 4.26Å; N56-E59 HydrophobicContact CB-CG 4.28Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 PolarHBondContact O-N 2.93Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.32Å; E59-G61 VanDerWaalsContact C-N 3.29Å; E59-G61 PolarHBondContact O-N 2.96Å
60V91.8Very high94.2Very high44 Ų4457.8 Ų57.827%0.26734%0.344SS..THydrogen-bonded Turntrans-71.8-22.8-177.7174.50000112.5L43 V55 N56 L57 L62L43-V60 HydrophobicContact CD2-CG1 3.83Å; V55-V60 HydrophobicContact CG1-CG2 3.55Å; N56-V60 WeakPolarHBondContact O-CG2 3.35Å; N56-V60 PolarHBondContact O-N 2.94Å; L57-V60 HydrophobicContact CD2-CG2 4.41Å; V60-L62 HydrophobicContact CB-CG 4.21Å; V60-L62 HydrophobicContact CG1-CD1 4.47Å; V60-L62 HydrophobicContact CG1-CD2 3.88Å; V60-L62 HydrophobicContact CG1-CG 3.81Å
61G89.6Confident94.6Very high68 Ų6850.7 Ų50.770%0.70131%0.313SS*.THydrogen-bonded Turntrans78.330.5-177.100000113.8E59E59-G61 VanDerWaalsContact C-N 3.29Å; E59-G61 PolarHBondContact O-N 2.96Å
62L90.9Very high94.9Very high29 Ų2951 Ų5115%0.15231%0.313CS..  trans-67.9144.7173.9-62.7176.9000110.9L57 V60 V64 I66 F71 L74L57-L62 HydrophobicContact CD2-CD1 4.08Å; V60-L62 HydrophobicContact CB-CG 4.21Å; V60-L62 HydrophobicContact CG1-CD1 4.47Å; V60-L62 HydrophobicContact CG1-CD2 3.88Å; V60-L62 HydrophobicContact CG1-CG 3.81Å; L62-V64 PolarHBondContact O-N 2.78Å; L62-I66 HydrophobicContact CD1-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-F71 HydrophobicContact CD1-CD2 3.82Å; L62-F71 HydrophobicContact CD1-CE2 3.91Å; L62-L74 HydrophobicContact CD2-CD1 4.11Å
63P91.1Very high94.9Very high73 Ų7358.3 Ų58.347%0.47434%0.339SS..  trans-56.7137.8168.5-2232.7000110.8D65 I66P63-D65 VanDerWaalsContact CB-OD1 3.26Å; P63-D65 WeakPolarHBondContact CB-OD1 3.28Å; P63-D65 PolarHBondContact O-N 3.49Å; P63-D65 VanDerWaalsContact O-N 3.17Å; P63-I66 WeakPolarHBondContact O-CB 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.34Å; P63-I66 PolarHBondContact O-N 2.67Å; P63-I66 VanDerWaalsContact O-N 3.09Å
64V86.6Confident94.9Very high106 Ų10659.4 Ų59.464%0.64235%0.345SS*.THydrogen-bonded Turntrans-61.4-26.9-179.9-179.50000111.6L62L62-V64 PolarHBondContact O-N 2.78Å
65D91.6Very high94.9Very high125 Ų12557.2 Ų57.267%0.66833%0.332SS*.THydrogen-bonded Turntrans-99.312.5-179.565.7-25.7000113.9P63 S67P63-D65 VanDerWaalsContact CB-OD1 3.26Å; P63-D65 WeakPolarHBondContact CB-OD1 3.28Å; P63-D65 PolarHBondContact O-N 3.49Å; P63-D65 VanDerWaalsContact O-N 3.17Å; D65-S67 PolarHBondContact O-N 2.89Å
66I95.6Very high94.9Very high15 Ų1563.1 Ų63.18%0.07736%0.357CS..  trans-48.7133.2178.1-170.4167.4000111.2L62 P63 A70 F71 L74 L98 R100L62-I66 HydrophobicContact CD1-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; P63-I66 WeakPolarHBondContact O-CB 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.34Å; P63-I66 PolarHBondContact O-N 2.67Å; P63-I66 VanDerWaalsContact O-N 3.09Å; I66-A70 HydrophobicContact CD1-CB 4.43Å; I66-A70 HydrophobicContact CG1-CB 3.95Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CG1-CB 4.31Å; I66-L74 HydrophobicContact CD1-CD1 4.04Å; I66-L98 HydrophobicContact CG2-CD2 4.32Å; I66-R100 WeakPolarHBondContact O-CD 3.49Å
67S96.9Very high94.8Very high58 Ų5865.7 Ų65.741%0.40637%0.371SS..  trans-75.6153.5177.270.90000111.3D65 D69 A70 F71D65-S67 PolarHBondContact O-N 2.89Å; S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.6Å; S67-A70 PolarHBondContact O-N 3.45Å; S67-A70 VanDerWaalsContact OG-CB 3.28Å; S67-A70 WeakPolarHBondContact OG-CB 3.22Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.17Å; S67-F71 PolarHBondContact O-N 3.1Å
68E97.8Very high94.9Very high97 Ų9765.7 Ų65.745%0.45337%0.371SS..Hα-helixtrans-56.7-41.3175.5-67.6-179.7-167.400111.4F71 S72 R100 A104E68-F71 PolarHBondContact O-N 2.99Å; E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.16Å; E68-R100 HydrophobicContact CG-CB 4Å; E68-A104 HydrophobicContact CB-CB 4.06Å; E68-A104 HydrophobicContact CG-CB 4.44Å
69D97.6Very high95.1Very high123 Ų12363.5 Ų63.566%0.65835%0.35SS*.Hα-helixtrans-66.1-37.4177.2-68.3-27.9000113.6S67 R73S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.6Å; D69-R73 WeakPolarHBondContact O-CG 3.33Å; D69-R73 PolarHBondContact O-N 3.04Å; D69-R73 PolarHBondContact O-NE 3.3Å
70A96.4Very high95.2Very high26 Ų2662 Ų6222%0.21535%0.349CS..Hα-helixtrans-67.7-47.517700000110.4I66 S67 R73 L74I66-A70 HydrophobicContact CD1-CB 4.43Å; I66-A70 HydrophobicContact CG1-CB 3.95Å; S67-A70 PolarHBondContact O-N 3.45Å; S67-A70 VanDerWaalsContact OG-CB 3.28Å; S67-A70 WeakPolarHBondContact OG-CB 3.22Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.17Å; A70-R73 PolarHBondContact O-N 3.34Å; A70-L74 WeakPolarHBondContact O-CG 3.28Å; A70-L74 PolarHBondContact O-N 2.98Å
71F97.8Very high95.4Very high0 Ų065 Ų650%036%0.36CS..Hα-helixtrans-64.7-40.5176.2-179.6-101.6000112.3L43 L57 L62 I66 S67 E68 R73 L74 L75 L92 C101 A104 A105L43-F71 HydrophobicContact CD1-CE2 4.08Å; L43-F71 HydrophobicContact CD1-CZ 4.38Å; L57-F71 HydrophobicContact CD1-CE2 3.84Å; L57-F71 HydrophobicContact CD1-CZ 3.81Å; L57-F71 HydrophobicContact CD2-CE2 3.81Å; L57-F71 HydrophobicContact CD2-CZ 4.15Å; L62-F71 HydrophobicContact CD1-CD2 3.82Å; L62-F71 HydrophobicContact CD1-CE2 3.91Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CG1-CB 4.31Å; S67-F71 PolarHBondContact O-N 3.1Å; E68-F71 PolarHBondContact O-N 2.99Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.05Å; F71-L74 WeakPolarHBondContact O-CB 3.39Å; F71-L74 PolarHBondContact O-N 3.41Å; F71-L75 HydrophobicContact CE1-CB 4.35Å; F71-L75 HydrophobicContact CE1-CD2 3.93Å; F71-L75 HydrophobicContact CZ-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.88Å; F71-L92 HydrophobicContact CZ-CD1 4.39Å; F71-C101 HydrophobicContact CD1-CB 3.77Å; F71-C101 HydrophobicContact CD2-CB 4.29Å; F71-C101 HydrophobicContact CE1-CB 3.69Å; F71-C101 WeakPolarHBondContact CE1-O 3.4Å; F71-C101 HydrophobicContact CE2-CB 4.24Å; F71-C101 HydrophobicContact CG-CB 4.06Å; F71-C101 HydrophobicContact CZ-CB 3.94Å; F71-A104 HydrophobicContact CD1-CB 3.75Å; F71-A104 HydrophobicContact CE1-CB 4.5Å; F71-A105 HydrophobicContact CE1-CB 4.41Å
72S97.9Very high95.8Very high26 Ų2662.6 Ų62.618%0.18233%0.33CS..Hα-helixtrans-59.3-40.9178.6-1800000112.1E68 K76 H108E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.16Å; S72-K76 WeakPolarHBondContact O-CB 3.47Å; S72-K76 PolarHBondContact O-N 3.39Å; S72-H108 PolarHBondContact O-NE2 3.11Å; S72-H108 PolarHBondContact OG-NE2 3.37Å
73R96.9Very high96Very high154 Ų15468.2 Ų68.258%0.58135%0.353SS*.Hα-helixtrans-64.6-48.6173.7-75.3-178.6-72.4156.3-4.7112.2D69 A70 F71 L75 K76 D77D69-R73 WeakPolarHBondContact O-CG 3.33Å; D69-R73 PolarHBondContact O-N 3.04Å; D69-R73 PolarHBondContact O-NE 3.3Å; A70-R73 PolarHBondContact O-N 3.34Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.05Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.21Å; R73-K76 WeakPolarHBondContact O-CB 3.31Å; R73-K76 PolarHBondContact O-N 3.48Å; R73-D77 PolarHBondContact O-N 2.95Å
74L96.5Very high96.2Very high25 Ų2568.5 Ų68.513%0.13136%0.362CS..Hα-helixtrans-56-46.6176.1-70172.7000111.8F40 L62 I66 A70 F71 S78F40-L74 HydrophobicContact CD1-CD2 3.49Å; F40-L74 VanDerWaalsContact CD1-CD2 3.49Å; F40-L74 HydrophobicContact CE1-CD2 4.05Å; F40-L74 HydrophobicContact CG-CD2 4.44Å; L62-L74 HydrophobicContact CD2-CD1 4.11Å; I66-L74 HydrophobicContact CD1-CD1 4.04Å; A70-L74 WeakPolarHBondContact O-CG 3.28Å; A70-L74 PolarHBondContact O-N 2.98Å; F71-L74 WeakPolarHBondContact O-CB 3.39Å; F71-L74 PolarHBondContact O-N 3.41Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.79Å; L74-S78 VanDerWaalsContact O-N 3.09Å; L74-S78 PolarHBondContact O-OG 3.26Å
75L98.1Very high96.6Very high0 Ų067.4 Ų67.40%035%0.352CS..Hα-helixtrans-64.7-44.5-180-178.658.9000111L43 F71 R73 D77 S78 L79 W82 L92 A105 H108 F110L43-L75 HydrophobicContact CD1-CB 4.47Å; L43-L75 HydrophobicContact CD1-CD1 4.02Å; F71-L75 HydrophobicContact CE1-CB 4.35Å; F71-L75 HydrophobicContact CE1-CD2 3.93Å; F71-L75 HydrophobicContact CZ-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.88Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.21Å; L75-D77 PolarHBondContact O-N 2.95Å; L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-L79 HydrophobicContact CD1-CD1 4.41Å; L75-L79 HydrophobicContact CD1-CG 4.18Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.28Å; L75-W82 HydrophobicContact CD1-CZ3 4.32Å; L75-L92 HydrophobicContact CD1-CD1 4.05Å; L75-L92 HydrophobicContact CD1-CD2 4.48Å; L75-L92 HydrophobicContact CD2-CD1 4.08Å; L75-A105 HydrophobicContact CD2-CB 3.86Å; L75-H108 HydrophobicContact CD2-CB 4.37Å; L75-F110 HydrophobicContact CD1-CE2 4Å; L75-F110 HydrophobicContact CD1-CZ 4.17Å; L75-F110 HydrophobicContact CD2-CD2 4.21Å; L75-F110 HydrophobicContact CD2-CE2 3.84Å; L75-F110 HydrophobicContact CG-CE2 4.27Å
76K97.8Very high96.8Very high125 Ų12564 Ų6454%0.54335%0.347SS..Hα-helixtrans-56.2-49.3177.3-175.3-179177.5-1780112.1S72 R73 S78 L79 V80S72-K76 WeakPolarHBondContact O-CB 3.47Å; S72-K76 PolarHBondContact O-N 3.39Å; R73-K76 WeakPolarHBondContact O-CB 3.31Å; R73-K76 PolarHBondContact O-N 3.48Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.19Å; K76-L79 PolarHBondContact O-N 2.89Å; K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 2.95Å; K76-V80 VanDerWaalsContact O-N 3.09Å
77D96.3Very high96.8Very high87 Ų8765.6 Ų65.647%0.46535%0.353SS..Hα-helixtrans-63.7-39-179.5-64.4-18.4000110.9R73 L75 V80 Q81R73-D77 PolarHBondContact O-N 2.95Å; L75-D77 PolarHBondContact O-N 2.95Å; D77-V80 PolarHBondContact O-N 3.42Å; D77-Q81 PolarHBondContact O-N 3.28Å; D77-Q81 VanDerWaalsContact O-N 3.12Å
78S97.5Very high96.8Very high3 Ų366.2 Ų66.22%0.02135%0.351CS..Hα-helixtrans-64.8-41.8176.1-49.50000112.3L43 L74 L75 K76 V80 Q81 W82L43-S78 WeakPolarHBondContact CB-OG 3.46Å; L43-S78 PolarHBondContact N-OG 3.4Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.79Å; L74-S78 VanDerWaalsContact O-N 3.09Å; L74-S78 PolarHBondContact O-OG 3.26Å; L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 3.43Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.19Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.49Å; S78-Q81 PolarHBondContact O-N 2.74Å; S78-W82 WeakPolarHBondContact O-CB 3.17Å; S78-W82 VanDerWaalsContact O-CD2 3.23Å; S78-W82 VanDerWaalsContact O-CG 3.3Å; S78-W82 PolarHBondContact O-N 2.96Å
79L97.7Very high96.7Very high22 Ų2261.8 Ų61.812%0.11533%0.33CS..Hα-helixtrans-63.2-39.9177.1-70.7172.3000112.1L75 K76 W82 K83 V90 H108 F110 L124 L126L75-L79 HydrophobicContact CD1-CD1 4.41Å; L75-L79 HydrophobicContact CD1-CG 4.18Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.28Å; K76-L79 PolarHBondContact O-N 2.89Å; L79-W82 HydrophobicContact CD2-CE3 4.09Å; L79-W82 HydrophobicContact CD2-CZ3 4.27Å; L79-K83 VanDerWaalsContact O-CB 3.27Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.44Å; L79-V90 HydrophobicContact CD2-CG2 4.02Å; L79-H108 HydrophobicContact CD1-CB 3.78Å; L79-F110 HydrophobicContact CD1-CE2 4.26Å; L79-F110 HydrophobicContact CD2-CE2 4.08Å; L79-F110 HydrophobicContact CD2-CZ 4.18Å; L79-L124 HydrophobicContact CD1-CD2 4.22Å; L79-L124 HydrophobicContact CD2-CD2 3.62Å; L79-L126 HydrophobicContact CD2-CD2 4.19Å
80V96.4Very high96.8Very high96 Ų9655.9 Ų55.958%0.58230%0.299SS*.Hα-helixtrans-60.8-47.8174.4171.40000110.2K76 D77 S78 K83 A84K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 2.95Å; K76-V80 VanDerWaalsContact O-N 3.09Å; D77-V80 PolarHBondContact O-N 3.42Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.49Å; V80-K83 PolarHBondContact O-N 2.98Å; V80-A84 PolarHBondContact O-N 3.25Å
81Q96.3Very high96.9Very high106 Ų10656.3 Ų56.350%0.49530%0.295SS..Hα-helixtrans-62.5-50.3178.7-174.36253.100111.7D77 S78 K83 A84 D85D77-Q81 PolarHBondContact O-N 3.28Å; D77-Q81 VanDerWaalsContact O-N 3.12Å; S78-Q81 PolarHBondContact O-N 2.74Å; Q81-K83 VanDerWaalsContact C-N 3.27Å; Q81-K83 PolarHBondContact O-N 3.37Å; Q81-A84 WeakPolarHBondContact O-CB 3.46Å; Q81-A84 PolarHBondContact O-N 2.94Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; Q81-D85 PolarHBondContact NE2-OD1 3.41Å; Q81-D85 PolarHBondContact NE2-OD2 3.27Å; Q81-D85 VanDerWaalsContact O-CG 3.23Å; Q81-D85 PolarHBondContact O-N 2.81Å
82W97.3Very high96.9Very high18 Ų1856.3 Ų56.37%0.06830%0.295CS..Hα-helixtrans-62.4-35.3-179.8-67.8-34.4000112.5L43 V53 V55 L75 S78 L79 D85 G86 K87 V90 L126L43-W82 HydrophobicContact CB-CH2 3.87Å; L43-W82 HydrophobicContact CB-CZ2 4.1Å; L43-W82 HydrophobicContact CD1-CH2 4.43Å; L43-W82 WeakPolarHBondContact O-CZ2 3.42Å; V53-W82 HydrophobicContact CG1-CD2 4.45Å; V53-W82 HydrophobicContact CG1-CZ2 3.92Å; V53-W82 HydrophobicContact CG2-CG 4.25Å; V55-W82 HydrophobicContact CG2-CH2 3.63Å; V55-W82 HydrophobicContact CG2-CZ2 3.8Å; L75-W82 HydrophobicContact CD1-CZ3 4.32Å; S78-W82 WeakPolarHBondContact O-CB 3.17Å; S78-W82 VanDerWaalsContact O-CD2 3.23Å; S78-W82 VanDerWaalsContact O-CG 3.3Å; S78-W82 PolarHBondContact O-N 2.96Å; L79-W82 HydrophobicContact CD2-CE3 4.09Å; L79-W82 HydrophobicContact CD2-CZ3 4.27Å; W82-D85 PolarHBondContact O-N 2.88Å; W82-G86 PolarHBondContact O-N 3.18Å; W82-K87 HydrophobicContact CB-CB 3.98Å; W82-K87 HydrophobicContact CB-CG 3.79Å; W82-K87 HydrophobicContact CG-CG 4.24Å; W82-K87 VanDerWaalsContact O-CB 3.24Å; W82-K87 WeakPolarHBondContact O-CB 3.36Å; W82-K87 VanDerWaalsContact O-CG 3.23Å; W82-K87 WeakPolarHBondContact O-CG 3.29Å; W82-K87 PolarHBondContact O-N 2.79Å; W82-V90 HydrophobicContact CD2-CG2 4.33Å; W82-V90 HydrophobicContact CE3-CG1 4.04Å; W82-V90 HydrophobicContact CE3-CG2 3.61Å; W82-V90 HydrophobicContact CH2-CG1 4.18Å; W82-V90 HydrophobicContact CZ3-CG1 3.63Å; W82-V90 HydrophobicContact CZ3-CG2 4.07Å; W82-L126 HydrophobicContact CB-CD1 4.19Å
83K95.8Very high96.9Very high147 Ų14757.1 Ų57.164%0.63930%0.296SS*.Hα-helixtrans-66.1-42.2173.7-171.1171.5-176.6172.90111.8L79 V80 Q81 D85 G86L79-K83 VanDerWaalsContact O-CB 3.27Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.44Å; V80-K83 PolarHBondContact O-N 2.98Å; Q81-K83 VanDerWaalsContact C-N 3.27Å; Q81-K83 PolarHBondContact O-N 3.37Å; K83-D85 VanDerWaalsContact C-N 3.28Å; K83-D85 PolarHBondContact O-N 2.84Å; K83-G86 PolarHBondContact O-N 2.82Å; K83-G86 VanDerWaalsContact O-N 3.16Å
84A95.4Very high97Very high79 Ų7949.9 Ų49.965%0.65327%0.268SS*.Hα-helixtrans-63.8-3517500000112.3V80 Q81 G86V80-A84 PolarHBondContact O-N 3.25Å; Q81-A84 WeakPolarHBondContact O-CB 3.46Å; Q81-A84 PolarHBondContact O-N 2.94Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; A84-G86 PolarHBondContact O-N 2.96Å
85D95.1Very high97Very high84 Ų8449.6 Ų49.645%0.44927%0.268SS..THydrogen-bonded Turntrans-76.54.8176.1-64.2-14.4000113.6Q81 W82 K83 K87Q81-D85 PolarHBondContact NE2-OD1 3.41Å; Q81-D85 PolarHBondContact NE2-OD2 3.27Å; Q81-D85 VanDerWaalsContact O-CG 3.23Å; Q81-D85 PolarHBondContact O-N 2.81Å; W82-D85 PolarHBondContact O-N 2.88Å; K83-D85 VanDerWaalsContact C-N 3.28Å; K83-D85 PolarHBondContact O-N 2.84Å; D85-K87 VanDerWaalsContact C-N 3.31Å; D85-K87 HydrophobicContact CB-CG 4.25Å; D85-K87 PolarHBondContact O-N 3Å
86G95.2Very high97Very high53 Ų5355.1 Ų55.155%0.54630%0.296SS..THydrogen-bonded Turntrans67.626.9179.500000114.1W82 K83 A84W82-G86 PolarHBondContact O-N 3.18Å; K83-G86 PolarHBondContact O-N 2.82Å; K83-G86 VanDerWaalsContact O-N 3.16Å; A84-G86 PolarHBondContact O-N 2.96Å
87K96.5Very high96.9Very high48 Ų4852.7 Ų52.721%0.20930%0.296CS..  trans-70.5142174.4-54.6-55.5178.8-159.60110.3G51 V53 W82 D85 L126G51-K87 WeakPolarHBondContact O-CA 3.07Å; V53-K87 HydrophobicContact CG2-CB 4.01Å; V53-K87 HydrophobicContact CG2-CD 3.73Å; V53-K87 HydrophobicContact CG2-CG 3.58Å; W82-K87 HydrophobicContact CB-CB 3.98Å; W82-K87 HydrophobicContact CB-CG 3.79Å; W82-K87 HydrophobicContact CG-CG 4.24Å; W82-K87 VanDerWaalsContact O-CB 3.24Å; W82-K87 WeakPolarHBondContact O-CB 3.36Å; W82-K87 VanDerWaalsContact O-CG 3.23Å; W82-K87 WeakPolarHBondContact O-CG 3.29Å; W82-K87 PolarHBondContact O-N 2.79Å; D85-K87 VanDerWaalsContact C-N 3.31Å; D85-K87 HydrophobicContact CB-CG 4.25Å; D85-K87 PolarHBondContact O-N 3Å; K87-L126 HydrophobicContact CB-CD1 4.31Å; K87-L126 WeakPolarHBondContact O-CB 3.4Å
88M95.5Very high96.9Very high72 Ų7249 Ų4936%0.35528%0.275SS..  trans-96.2-26.4-173.3-65.6-57.7-58.400112.8G51 W125 L126 G127G51-M88 PolarHBondContact O-N 3.07Å; M88-W125 HydrophobicContact CB-CH2 4.07Å; M88-W125 HydrophobicContact CB-CZ3 3.99Å; M88-W125 HydrophobicContact CE-CH2 3.52Å; M88-W125 HydrophobicContact CE-CZ2 3.51Å; M88-W125 HydrophobicContact CE-CZ3 4.45Å; M88-W125 WeakPolarHBondContact O-CZ3 3.37Å; M88-L126 PolarHBondContact O-N 3.34Å; M88-G127 PolarHBondContact O-N 2.91Å
89A97.6Very high96.8Very high3 Ų351.9 Ų51.93%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-153.3155.5-176.800000112G52 V53 L124 W125 L133G52-A89 CarbonylContact C-O 3.53Å; G52-A89 WeakPolarHBondContact CA-O 3.46Å; V53-A89 PolarHBondContact N-O 3.31Å; A89-L124 CarbonylContact C-O 3.59Å; A89-L124 VanDerWaalsContact CA-O 3.29Å; A89-L124 WeakPolarHBondContact CA-O 3.39Å; A89-W125 HydrophobicContact CB-CE3 4.1Å; A89-W125 HydrophobicContact CB-CZ3 4.38Å; A89-L133 HydrophobicContact CB-CD1 4.28Å; A89-L133 HydrophobicContact CB-CD2 3.66Å; A89-L133 HydrophobicContact CB-CG 4.45Å
90V98.3Very high96.8Very high0 Ų056.2 Ų56.20%031%0.311CS..EExtended strand (participates in β ladder)trans-127.2133.4172.2-1730000109.4V53 L79 W82 L92 F110 A123 L124 L126V53-V90 CarbonylContact O-C 3.58Å; V53-V90 WeakPolarHBondContact O-CA 3.25Å; L79-V90 HydrophobicContact CD2-CG2 4.02Å; W82-V90 HydrophobicContact CD2-CG2 4.33Å; W82-V90 HydrophobicContact CE3-CG1 4.04Å; W82-V90 HydrophobicContact CE3-CG2 3.61Å; W82-V90 HydrophobicContact CH2-CG1 4.18Å; W82-V90 HydrophobicContact CZ3-CG1 3.63Å; W82-V90 HydrophobicContact CZ3-CG2 4.07Å; V90-L92 HydrophobicContact CG1-CD2 4.27Å; V90-L92 HydrophobicContact CG1-CG 4.48Å; V90-F110 HydrophobicContact CB-CE1 3.97Å; V90-F110 HydrophobicContact CB-CZ 3.81Å; V90-F110 HydrophobicContact CG1-CE1 3.9Å; V90-F110 HydrophobicContact CG1-CZ 3.66Å; V90-A123 CarbonylContact O-C 3.51Å; V90-A123 WeakPolarHBondContact O-CA 3.2Å; V90-L124 PolarHBondContact N-O 2.95Å; V90-L124 PolarHBondContact O-N 3.33Å; V90-L126 HydrophobicContact CG2-CD1 3.62Å; V90-L126 HydrophobicContact CG2-CG 4.11Å
91W98.4Very high96.8Very high34 Ų3451.7 Ų51.713%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-115.4125.5175.1-55.395.4000108.7V53 T54 V55 H113 M121 L122 A123 L133V53-W91 PolarHBondContact O-N 3.41Å; T54-W91 WeakPolarHBondContact CA-O 3.29Å; T54-W91 HydrophobicContact CG2-CB 4.09Å; V55-W91 PolarHBondContact N-O 2.98Å; W91-H113 AromaticContact CH2-CD2 3.67Å; W91-H113 AromaticContact CH2-NE2 3.68Å; W91-H113 HydrophobicContact CZ3-CB 4.24Å; W91-H113 AromaticContact CZ3-CD2 3.32Å; W91-H113 WeakPolarHBondContact CZ3-CD2 3.47Å; W91-H113 AromaticContact CZ3-CG 3.76Å; W91-H113 AromaticContact CZ3-NE2 3.66Å; W91-M121 HydrophobicContact CB-SD 3.87Å; W91-M121 HydrophobicContact CE3-CG 3.94Å; W91-M121 HydrophobicContact CE3-SD 4.27Å; W91-M121 HydrophobicContact CZ3-CG 4.48Å; W91-L122 CarbonylContact C-O 3.56Å; W91-L122 WeakPolarHBondContact CA-O 3.34Å; W91-A123 HydrophobicContact CD2-CB 4.47Å; W91-A123 HydrophobicContact CE3-CB 3.73Å; W91-A123 HydrophobicContact CH2-CB 4.45Å; W91-A123 HydrophobicContact CZ3-CB 3.73Å; W91-L133 HydrophobicContact CH2-CB 4.35Å; W91-L133 HydrophobicContact CH2-CD1 4.29Å; W91-L133 HydrophobicContact CH2-CD2 4.26Å; W91-L133 HydrophobicContact CZ2-CD1 4.25Å; W91-L133 HydrophobicContact CZ2-CD2 3.64Å; W91-L133 HydrophobicContact CZ2-CG 4.37Å
92L98.4Very high96.9Very high0 Ų047.2 Ų47.20%026%0.264CS..EExtended strand (participates in β ladder)trans-112.6112.6174.8-64.4180000109.2V55 F71 L75 V90 V94 A105 F110 M121 L122V55-L92 HydrophobicContact CB-CD2 3.76Å; V55-L92 HydrophobicContact CG1-CD2 4.45Å; V55-L92 HydrophobicContact CG2-CD2 4.06Å; F71-L92 HydrophobicContact CZ-CD1 4.39Å; L75-L92 HydrophobicContact CD1-CD1 4.05Å; L75-L92 HydrophobicContact CD1-CD2 4.48Å; L75-L92 HydrophobicContact CD2-CD1 4.08Å; V90-L92 HydrophobicContact CG1-CD2 4.27Å; V90-L92 HydrophobicContact CG1-CG 4.48Å; L92-V94 HydrophobicContact CB-CG2 4.23Å; L92-A105 HydrophobicContact CD1-CB 3.76Å; L92-F110 HydrophobicContact CB-CE1 4.34Å; L92-F110 HydrophobicContact CD1-CD1 3.89Å; L92-F110 HydrophobicContact CD1-CD2 4.33Å; L92-F110 HydrophobicContact CD1-CE1 3.57Å; L92-F110 HydrophobicContact CD1-CE2 4.02Å; L92-F110 HydrophobicContact CD1-CG 4.26Å; L92-F110 HydrophobicContact CD1-CZ 3.62Å; L92-F110 HydrophobicContact CG-CD1 4.09Å; L92-F110 HydrophobicContact CG-CE1 3.5Å; L92-F110 VanDerWaalsContact CG-CE1 3.5Å; L92-F110 HydrophobicContact CG-CZ 3.84Å; L92-M121 WeakPolarHBondContact O-CA 3.43Å; L92-L122 HydrophobicContact CB-CB 4.36Å; L92-L122 PolarHBondContact N-O 2.94Å; L92-L122 PolarHBondContact O-N 2.92Å
93Q98.4Very high97Very high44 Ų4448.7 Ų48.721%0.20628%0.28CS..EExtended strand (participates in β ladder)trans-86.9111.7167.2-169.3178.827.600108.6V55 N56 L57 H119 S120 M121V55-Q93 PolarHBondContact O-N 2.82Å; N56-Q93 VanDerWaalsContact CG-OE1 3.23Å; N56-Q93 PolarHBondContact ND2-OE1 3.41Å; L57-Q93 WeakPolarHBondContact CB-O 3.39Å; L57-Q93 PolarHBondContact N-O 2.86Å; Q93-H119 HydrophobicContact CG-CB 4.36Å; Q93-H119 PolarHBondContact NE2-CD2 3.5Å; Q93-H119 PolarHBondContact NE2-NE2 3.43Å; Q93-S120 CarbonylContact C-O 3.47Å; Q93-S120 WeakPolarHBondContact CA-O 3.36Å; Q93-M121 HydrophobicContact CB-CE 3.77Å; Q93-M121 HydrophobicContact CB-SD 4.27Å; Q93-M121 HydrophobicContact CG-CE 4.07Å
94V98.3Very high97.1Very high1 Ų141.9 Ų41.91%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-109.1112.2-175.9-177.10000108.7L57 L92 L98 C101 A102 H119 S120 L122L57-V94 HydrophobicContact CD1-CB 4.38Å; L57-V94 HydrophobicContact CD1-CG1 4.3Å; L57-V94 HydrophobicContact CD1-CG2 3.77Å; L57-V94 HydrophobicContact CG-CG2 4.44Å; L92-V94 HydrophobicContact CB-CG2 4.23Å; V94-L98 HydrophobicContact CG1-CB 4.25Å; V94-L98 WeakPolarHBondContact CG1-O 3.29Å; V94-C101 HydrophobicContact CG1-CB 4.32Å; V94-A102 HydrophobicContact CG1-CB 4.42Å; V94-H119 CarbonylContact O-C 3.54Å; V94-H119 VanDerWaalsContact O-CA 3.25Å; V94-H119 WeakPolarHBondContact O-CA 3.49Å; V94-H119 WeakPolarHBondContact O-CB 3.48Å; V94-S120 PolarHBondContact N-O 2.92Å; V94-S120 PolarHBondContact O-N 3Å; V94-L122 HydrophobicContact CB-CD1 4.05Å; V94-L122 HydrophobicContact CG2-CD1 3.37Å
95P97.3Very high97.2Very high19 Ų1938.1 Ų38.112%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-67153.417330.5-34.5000110.1A58 S97 L98 S99 D118A58-P95 HydrophobicContact CB-CG 4.2Å; P95-S97 PolarHBondContact O-N 2.87Å; P95-S97 VanDerWaalsContact O-N 3.13Å; P95-L98 HydrophobicContact CG-CB 3.99Å; P95-L98 HydrophobicContact CG-CD1 3.86Å; P95-L98 HydrophobicContact CG-CG 3.99Å; P95-L98 CarbonylContact O-C 3.36Å; P95-L98 WeakPolarHBondContact O-CA 3.32Å; P95-L98 PolarHBondContact O-N 2.84Å; P95-S99 PolarHBondContact O-N 3.25Å; P95-D118 CarbonylContact C-O 3.49Å
96I96.7Very high97.4Very high116 Ų11636.7 Ų36.760%0.59522%0.22SC*.G310 helixtrans-57.7-32.3-176.3-166.3168.4000112.1L98 S99 D118I96-L98 PolarHBondContact O-N 3.06Å; I96-S99 WeakPolarHBondContact O-CB 3.36Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 PolarHBondContact O-OG 3.44Å; I96-D118 VanDerWaalsContact CB-O 3.31Å; I96-D118 WeakPolarHBondContact CB-O 3.45Å; I96-D118 HydrophobicContact CG2-CB 4.21Å; I96-D118 PolarHBondContact N-O 3.29Å
97S95.4Very high97.5Very high75 Ų7539.1 Ų39.152%0.52423%0.225SC..G310 helixtrans-62.8-25174.253.60000113.6P95P95-S97 PolarHBondContact O-N 2.87Å; P95-S97 VanDerWaalsContact O-N 3.13Å
98L96.8Very high97.6Very high8 Ų839.1 Ų39.14%0.04223%0.225CC..G310 helixtrans-11024.5178.8-63.8179000112.4L57 I66 V94 P95 I96 R100 C101L57-L98 HydrophobicContact CB-CD1 3.97Å; I66-L98 HydrophobicContact CG2-CD2 4.32Å; V94-L98 HydrophobicContact CG1-CB 4.25Å; V94-L98 WeakPolarHBondContact CG1-O 3.29Å; P95-L98 HydrophobicContact CG-CB 3.99Å; P95-L98 HydrophobicContact CG-CD1 3.86Å; P95-L98 HydrophobicContact CG-CG 3.99Å; P95-L98 CarbonylContact O-C 3.36Å; P95-L98 WeakPolarHBondContact O-CA 3.32Å; P95-L98 PolarHBondContact O-N 2.84Å; I96-L98 PolarHBondContact O-N 3.06Å; L98-R100 PolarHBondContact O-N 3.06Å; L98-C101 VanDerWaalsContact O-CB 3.23Å; L98-C101 WeakPolarHBondContact O-CB 3.23Å; L98-C101 PolarHBondContact O-N 3.08Å
99S96.5Very high97.7Very high64 Ų6437.9 Ų37.945%0.44823%0.23SC..Hα-helixtrans-52.9-28.5-177.7-650000114.4P95 I96 C101 A102P95-S99 PolarHBondContact O-N 3.25Å; I96-S99 WeakPolarHBondContact O-CB 3.36Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 PolarHBondContact O-OG 3.44Å; S99-C101 PolarHBondContact O-N 3.36Å; S99-A102 WeakPolarHBondContact O-CB 3.37Å; S99-A102 PolarHBondContact O-N 3.46Å
100R96.4Very high97.7Very high114 Ų11438.1 Ų38.143%0.4323%0.231SC..Hα-helixtrans-56.8-32.1171.664.5-175.665.2-156.8-1.6113.6I66 E68 L98 A102 A103 A104I66-R100 WeakPolarHBondContact O-CD 3.49Å; E68-R100 HydrophobicContact CG-CB 4Å; L98-R100 PolarHBondContact O-N 3.06Å; R100-A102 PolarHBondContact O-N 3.15Å; R100-A103 WeakPolarHBondContact O-CB 3.47Å; R100-A103 PolarHBondContact O-N 2.89Å; R100-A103 VanDerWaalsContact O-N 3.16Å; R100-A104 PolarHBondContact O-N 3.38Å; R100-A104 VanDerWaalsContact O-N 3.12Å
101C98.1Very high97.7Very high1 Ų142.5 Ų42.51%0.00726%0.258CS..Hα-helixtrans-66.7-26.5175.8-61.40000111.6L57 F71 V94 L98 S99 A105L57-C101 HydrophobicContact CD1-CB 3.67Å; F71-C101 HydrophobicContact CD1-CB 3.77Å; F71-C101 HydrophobicContact CD2-CB 4.29Å; F71-C101 HydrophobicContact CE1-CB 3.69Å; F71-C101 WeakPolarHBondContact CE1-O 3.4Å; F71-C101 HydrophobicContact CE2-CB 4.24Å; F71-C101 HydrophobicContact CG-CB 4.06Å; F71-C101 HydrophobicContact CZ-CB 3.94Å; V94-C101 HydrophobicContact CG1-CB 4.32Å; L98-C101 VanDerWaalsContact O-CB 3.23Å; L98-C101 WeakPolarHBondContact O-CB 3.23Å; L98-C101 PolarHBondContact O-N 3.08Å; S99-C101 PolarHBondContact O-N 3.36Å; C101-A105 VanDerWaalsContact O-CB 3.25Å; C101-A105 WeakPolarHBondContact O-CB 3.15Å; C101-A105 PolarHBondContact O-N 3.25Å
102A98.2Very high97.6Very high12 Ų1248.3 Ų48.310%0.09928%0.284CS..Hα-helixtrans-68.5-39.6172.800000111.5V94 S99 R100 A105 A106 L122V94-A102 HydrophobicContact CG1-CB 4.42Å; S99-A102 WeakPolarHBondContact O-CB 3.37Å; S99-A102 PolarHBondContact O-N 3.46Å; R100-A102 PolarHBondContact O-N 3.15Å; A102-A105 PolarHBondContact O-N 2.86Å; A102-A106 PolarHBondContact O-N 2.59Å; A102-L122 HydrophobicContact CB-CD1 4.09Å; A102-L122 HydrophobicContact CB-CD2 3.98Å
103A97.9Very high97.6Very high48 Ų4850.2 Ų50.240%0.39729%0.293SS..Hα-helixtrans-62.2-47.5174.800000111.1R100 A105 A106R100-A103 WeakPolarHBondContact O-CB 3.47Å; R100-A103 PolarHBondContact O-N 2.89Å; R100-A103 VanDerWaalsContact O-N 3.16Å; A103-A105 PolarHBondContact O-N 3.42Å; A103-A106 WeakPolarHBondContact O-CB 3.32Å; A103-A106 PolarHBondContact O-N 3.11Å
104A98.1Very high97.5Very high4 Ų450.3 Ų50.33%0.03329%0.294CS..Hα-helixtrans-62.2-39.4173.900000112.8E68 F71 R100 A106 T107 H108E68-A104 HydrophobicContact CB-CB 4.06Å; E68-A104 HydrophobicContact CG-CB 4.44Å; F71-A104 HydrophobicContact CD1-CB 3.75Å; F71-A104 HydrophobicContact CE1-CB 4.5Å; R100-A104 PolarHBondContact O-N 3.38Å; R100-A104 VanDerWaalsContact O-N 3.12Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.25Å; A104-T107 PolarHBondContact O-N 2.88Å; A104-T107 PolarHBondContact O-OG1 3.16Å; A104-H108 PolarHBondContact O-CD2 2.92Å; A104-H108 VanDerWaalsContact O-CD2 3.27Å
105A98.6Very high97.4Very high0 Ų053.8 Ų53.80%032%0.322CS..Hα-helixtrans-65-37.4176.500000112.4F71 L75 L92 C101 A102 A103 T107 H108 F110 L122F71-A105 HydrophobicContact CE1-CB 4.41Å; L75-A105 HydrophobicContact CD2-CB 3.86Å; L92-A105 HydrophobicContact CD1-CB 3.76Å; C101-A105 VanDerWaalsContact O-CB 3.25Å; C101-A105 WeakPolarHBondContact O-CB 3.15Å; C101-A105 PolarHBondContact O-N 3.25Å; A102-A105 PolarHBondContact O-N 2.86Å; A103-A105 PolarHBondContact O-N 3.42Å; A105-T107 PolarHBondContact O-N 3.02Å; A105-H108 WeakPolarHBondContact O-CA 3.45Å; A105-H108 PolarHBondContact O-N 3.26Å; A105-F110 HydrophobicContact CB-CB 4Å; A105-F110 HydrophobicContact CB-CD2 3.99Å; A105-F110 HydrophobicContact CB-CG 4Å; A105-F110 WeakPolarHBondContact O-CB 3.49Å; A105-F110 WeakPolarHBondContact O-CD2 3.48Å; A105-F110 PolarHBondContact O-N 3Å; A105-L122 HydrophobicContact CB-CD2 4.15Å
106A98.4Very high97.1Very high54 Ų5459 Ų5945%0.44634%0.343SS..Hα-helixtrans-59.7-31.8178.600000112.5A102 A103 A104 H108 G109A102-A106 PolarHBondContact O-N 2.59Å; A103-A106 WeakPolarHBondContact O-CB 3.32Å; A103-A106 PolarHBondContact O-N 3.11Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.25Å; A106-H108 PolarHBondContact O-N 3.3Å; A106-G109 PolarHBondContact O-N 2.84Å
107T98.1Very high97Very high105 Ų10559.3 Ų59.364%0.64436%0.355SS*.THydrogen-bonded Turntrans-67.1-16.3175.372.90000113.3A104 A105A104-T107 PolarHBondContact O-N 2.88Å; A104-T107 PolarHBondContact O-OG1 3.16Å; A105-T107 PolarHBondContact O-N 3.02Å
108H98Very high97Very high48 Ų4860.2 Ų60.222%0.22236%0.355CS..THydrogen-bonded Turntrans-100.214.5174.4-62.8-77.1000112.8S72 L75 L79 A104 A105 A106 F110S72-H108 PolarHBondContact O-NE2 3.11Å; S72-H108 PolarHBondContact OG-NE2 3.37Å; L75-H108 HydrophobicContact CD2-CB 4.37Å; L79-H108 HydrophobicContact CD1-CB 3.78Å; A104-H108 PolarHBondContact O-CD2 2.92Å; A104-H108 VanDerWaalsContact O-CD2 3.27Å; A105-H108 WeakPolarHBondContact O-CA 3.45Å; A105-H108 PolarHBondContact O-N 3.26Å; A106-H108 PolarHBondContact O-N 3.3Å; H108-F110 HydrophobicContact CB-CD2 4.28Å
109G97.4Very high97Very high45 Ų4561.9 Ų61.946%0.46436%0.362SS..THydrogen-bonded Turntrans86.36.3175.100000115.1A106A106-G109 PolarHBondContact O-N 2.84Å
110F98.4Very high97.1Very high8 Ų859.8 Ų59.84%0.03535%0.347CS..  trans-64.4139.9171.9-78.6-97.8000110.9L75 L79 V90 L92 A105 H108 L122 A123 L124L75-F110 HydrophobicContact CD1-CE2 4Å; L75-F110 HydrophobicContact CD1-CZ 4.17Å; L75-F110 HydrophobicContact CD2-CD2 4.21Å; L75-F110 HydrophobicContact CD2-CE2 3.84Å; L75-F110 HydrophobicContact CG-CE2 4.27Å; L79-F110 HydrophobicContact CD1-CE2 4.26Å; L79-F110 HydrophobicContact CD2-CE2 4.08Å; L79-F110 HydrophobicContact CD2-CZ 4.18Å; V90-F110 HydrophobicContact CB-CE1 3.97Å; V90-F110 HydrophobicContact CB-CZ 3.81Å; V90-F110 HydrophobicContact CG1-CE1 3.9Å; V90-F110 HydrophobicContact CG1-CZ 3.66Å; L92-F110 HydrophobicContact CB-CE1 4.34Å; L92-F110 HydrophobicContact CD1-CD1 3.89Å; L92-F110 HydrophobicContact CD1-CD2 4.33Å; L92-F110 HydrophobicContact CD1-CE1 3.57Å; L92-F110 HydrophobicContact CD1-CE2 4.02Å; L92-F110 HydrophobicContact CD1-CG 4.26Å; L92-F110 HydrophobicContact CD1-CZ 3.62Å; L92-F110 HydrophobicContact CG-CD1 4.09Å; L92-F110 HydrophobicContact CG-CE1 3.5Å; L92-F110 VanDerWaalsContact CG-CE1 3.5Å; L92-F110 HydrophobicContact CG-CZ 3.84Å; A105-F110 HydrophobicContact CB-CB 4Å; A105-F110 HydrophobicContact CB-CD2 3.99Å; A105-F110 HydrophobicContact CB-CG 4Å; A105-F110 WeakPolarHBondContact O-CB 3.49Å; A105-F110 WeakPolarHBondContact O-CD2 3.48Å; A105-F110 PolarHBondContact O-N 3Å; H108-F110 HydrophobicContact CB-CD2 4.28Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CB-CD2 4.1Å; F110-L122 HydrophobicContact CD1-CB 3.93Å; F110-L122 HydrophobicContact CG-CB 4.47Å; F110-A123 WeakPolarHBondContact CA-O 3.2Å; F110-L124 HydrophobicContact CD1-CB 3.68Å; F110-L124 HydrophobicContact CD2-CB 3.99Å; F110-L124 HydrophobicContact CD2-CD2 3.99Å; F110-L124 HydrophobicContact CE1-CB 3.55Å; F110-L124 HydrophobicContact CE2-CB 3.9Å; F110-L124 HydrophobicContact CE2-CD2 3.59Å; F110-L124 HydrophobicContact CE2-CG 4.39Å; F110-L124 HydrophobicContact CG-CB 3.9Å; F110-L124 HydrophobicContact CZ-CB 3.68Å; F110-L124 HydrophobicContact CZ-CD2 3.97Å
111T97.8Very high97.2Very high92 Ų9255.3 Ų55.356%0.56433%0.332SS*.EExtended strand (participates in β ladder)trans-117159.1172.660.50000110.6H113 L122 A123T111-H113 PolarHBondContact O-N 3.39Å; T111-L122 CarbonylContact O-C 3.46Å; T111-L122 WeakPolarHBondContact O-CA 3.07Å; T111-L122 WeakPolarHBondContact O-CB 3.41Å; T111-A123 PolarHBondContact N-O 3.49Å; T111-A123 PolarHBondContact O-N 2.84Å
112F97.4Very high97.2Very high156 Ų15655.4 Ų55.468%0.68433%0.332SS*.EExtended strand (participates in β ladder)trans-67.6132.3171-67.3-52.4000110.3L122F112-L122 HydrophobicContact CD1-CD2 4.35Å; F112-L122 HydrophobicContact CD1-CG 4.09Å; F112-L122 HydrophobicContact CE1-CD2 4.29Å; F112-L122 HydrophobicContact CE1-CG 4.36Å
113H97.2Very high97.2Very high40 Ų4055.1 Ų55.119%0.18533%0.329CS..EExtended strand (participates in β ladder)trans-101.6-50.3168.9-175.7-71.7000111.1W91 T111 M121 A123 P134 F136W91-H113 AromaticContact CH2-CD2 3.67Å; W91-H113 AromaticContact CH2-NE2 3.68Å; W91-H113 HydrophobicContact CZ3-CB 4.24Å; W91-H113 AromaticContact CZ3-CD2 3.32Å; W91-H113 WeakPolarHBondContact CZ3-CD2 3.47Å; W91-H113 AromaticContact CZ3-CG 3.76Å; W91-H113 AromaticContact CZ3-NE2 3.66Å; T111-H113 PolarHBondContact O-N 3.39Å; H113-M121 HydrophobicContact CB-CG 4.41Å; H113-M121 WeakPolarHBondContact CB-O 3.37Å; H113-M121 PolarHBondContact N-O 2.93Å; H113-A123 HydrophobicContact CB-CB 4.24Å; H113-P134 PolarHBondContact NE2-O 3.26Å; H113-F136 AromaticContact CE1-CD2 3.72Å; H113-F136 AromaticContact ND1-CD2 3.79Å; H113-F136 WeakPolarHBondContact O-CB 3.47Å
114H96.3Very high97.2Very high47 Ų4754 Ų5422%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-162.6171.6175.865.5-81.3000112M121 F136H114-M121 WeakPolarHBondContact CE1-CB 3.26Å; H114-M121 PolarHBondContact N-O 2.81Å; H114-M121 WeakPolarHBondContact ND1-CB 3.32Å; H114-M121 PolarHBondContact O-N 2.92Å; H114-F136 HydrophobicContact CB-CB 4.05Å; H114-F136 HydrophobicContact CB-CD1 3.43Å; H114-F136 VanDerWaalsContact CB-CD1 3.43Å; H114-F136 HydrophobicContact CB-CD2 3.47Å; H114-F136 VanDerWaalsContact CB-CD2 3.47Å; H114-F136 HydrophobicContact CB-CE1 3.61Å; H114-F136 HydrophobicContact CB-CE2 3.64Å; H114-F136 HydrophobicContact CB-CG 3.36Å; H114-F136 HydrophobicContact CB-CZ 3.7Å; H114-F136 AromaticContact CD2-CD2 3.94Å; H114-F136 AromaticContact CD2-CE2 3.33Å; H114-F136 WeakPolarHBondContact CD2-CE2 3.46Å; H114-F136 AromaticContact CD2-CZ 3.53Å; H114-F136 AromaticContact CE1-CE2 3.88Å; H114-F136 AromaticContact CG-CD2 3.42Å; H114-F136 VanDerWaalsContact CG-CD2 3.42Å; H114-F136 AromaticContact CG-CE2 3.32Å; H114-F136 AromaticContact CG-CG 3.89Å; H114-F136 AromaticContact CG-CZ 3.71Å; H114-F136 AromaticContact ND1-CD2 3.55Å; H114-F136 AromaticContact ND1-CE2 3.68Å; H114-F136 AromaticContact NE2-CE2 3.71Å
115A95.6Very high97.2Very high73 Ų7356.4 Ų56.460%0.60333%0.325SS*.EExtended strand (participates in β ladder)trans-136.8148.516800000109.8H119A115-H119 WeakPolarHBondContact CA-O 3.34Å
116K92.7Very high97.1Very high128 Ų12858 Ų5856%0.55733%0.333SS*.EExtended strand (participates in β ladder)trans-140.3121.3174.7-174.9179.2-179.5-179.10108.6D118 H119K116-D118 PolarHBondContact O-N 3.17Å; K116-H119 PolarHBondContact N-O 3.26Å; K116-H119 PolarHBondContact O-CE1 3.42Å; K116-H119 PolarHBondContact O-N 3.19Å; K116-H119 VanDerWaalsContact O-N 3.12Å; K116-H119 PolarHBondContact O-ND1 3.21Å; K116-H119 VanDerWaalsContact O-ND1 3.15Å
117S93.2Very high96.7Very high123 Ų12356.2 Ų56.286%0.8632%0.321SS*.THydrogen-bonded Turntrans52.6-97176.6-56.10000113
118D95.4Very high96.3Very high95 Ų9560.2 Ų60.251%0.50833%0.332SS..THydrogen-bonded Turntrans-109.412.5-170.567.2-18.6000113.7P95 I96 K116P95-D118 CarbonylContact C-O 3.49Å; I96-D118 VanDerWaalsContact CB-O 3.31Å; I96-D118 WeakPolarHBondContact CB-O 3.45Å; I96-D118 HydrophobicContact CG2-CB 4.21Å; I96-D118 PolarHBondContact N-O 3.29Å; K116-D118 PolarHBondContact O-N 3.17Å
119H97.3Very high96Very high42 Ų4261.3 Ų61.319%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-147.2156.7176.862.6-84000112.8Q93 V94 A115 K116Q93-H119 HydrophobicContact CG-CB 4.36Å; Q93-H119 PolarHBondContact NE2-CD2 3.5Å; Q93-H119 PolarHBondContact NE2-NE2 3.43Å; V94-H119 CarbonylContact O-C 3.54Å; V94-H119 VanDerWaalsContact O-CA 3.25Å; V94-H119 WeakPolarHBondContact O-CA 3.49Å; V94-H119 WeakPolarHBondContact O-CB 3.48Å; A115-H119 WeakPolarHBondContact CA-O 3.34Å; K116-H119 PolarHBondContact N-O 3.26Å; K116-H119 PolarHBondContact O-CE1 3.42Å; K116-H119 PolarHBondContact O-N 3.19Å; K116-H119 VanDerWaalsContact O-N 3.12Å; K116-H119 PolarHBondContact O-ND1 3.21Å; K116-H119 VanDerWaalsContact O-ND1 3.15Å
120S97.9Very high95.7Very high20 Ų2067.7 Ų67.714%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-111.8152.4169.363.50000110.8Q93 V94Q93-S120 CarbonylContact C-O 3.47Å; Q93-S120 WeakPolarHBondContact CA-O 3.36Å; V94-S120 PolarHBondContact N-O 2.92Å; V94-S120 PolarHBondContact O-N 3Å
121M98.4Very high95.5Very high21 Ų2170.6 Ų70.610%0.10340%0.395CS..EExtended strand (participates in β ladder)trans-109.8119.8168.1-173.56466.300108W91 L92 Q93 H113 H114W91-M121 HydrophobicContact CB-SD 3.87Å; W91-M121 HydrophobicContact CE3-CG 3.94Å; W91-M121 HydrophobicContact CE3-SD 4.27Å; W91-M121 HydrophobicContact CZ3-CG 4.48Å; L92-M121 WeakPolarHBondContact O-CA 3.43Å; Q93-M121 HydrophobicContact CB-CE 3.77Å; Q93-M121 HydrophobicContact CB-SD 4.27Å; Q93-M121 HydrophobicContact CG-CE 4.07Å; H113-M121 HydrophobicContact CB-CG 4.41Å; H113-M121 WeakPolarHBondContact CB-O 3.37Å; H113-M121 PolarHBondContact N-O 2.93Å; H114-M121 WeakPolarHBondContact CE1-CB 3.26Å; H114-M121 PolarHBondContact N-O 2.81Å; H114-M121 WeakPolarHBondContact ND1-CB 3.32Å; H114-M121 PolarHBondContact O-N 2.92Å
122L98.6Very high95.3Very high3 Ų376.1 Ų76.12%0.01641%0.406CS..EExtended strand (participates in β ladder)trans-103.7152169.8-58.488.4000109.6W91 L92 V94 A102 A105 F110 T111 F112W91-L122 CarbonylContact C-O 3.56Å; W91-L122 WeakPolarHBondContact CA-O 3.34Å; L92-L122 HydrophobicContact CB-CB 4.36Å; L92-L122 PolarHBondContact N-O 2.94Å; L92-L122 PolarHBondContact O-N 2.92Å; V94-L122 HydrophobicContact CB-CD1 4.05Å; V94-L122 HydrophobicContact CG2-CD1 3.37Å; A102-L122 HydrophobicContact CB-CD1 4.09Å; A102-L122 HydrophobicContact CB-CD2 3.98Å; A105-L122 HydrophobicContact CB-CD2 4.15Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CB-CD2 4.1Å; F110-L122 HydrophobicContact CD1-CB 3.93Å; F110-L122 HydrophobicContact CG-CB 4.47Å; T111-L122 CarbonylContact O-C 3.46Å; T111-L122 WeakPolarHBondContact O-CA 3.07Å; T111-L122 WeakPolarHBondContact O-CB 3.41Å; F112-L122 HydrophobicContact CD1-CD2 4.35Å; F112-L122 HydrophobicContact CD1-CG 4.09Å; F112-L122 HydrophobicContact CE1-CD2 4.29Å; F112-L122 HydrophobicContact CE1-CG 4.36Å
123A98.3Very high95.1Very high5 Ų570.4 Ų70.44%0.04138%0.382CS..EExtended strand (participates in β ladder)trans-133145.8-179.900000111.5V90 W91 F110 T111 H113 L133V90-A123 CarbonylContact O-C 3.51Å; V90-A123 WeakPolarHBondContact O-CA 3.2Å; W91-A123 HydrophobicContact CD2-CB 4.47Å; W91-A123 HydrophobicContact CE3-CB 3.73Å; W91-A123 HydrophobicContact CH2-CB 4.45Å; W91-A123 HydrophobicContact CZ3-CB 3.73Å; F110-A123 WeakPolarHBondContact CA-O 3.2Å; T111-A123 PolarHBondContact N-O 3.49Å; T111-A123 PolarHBondContact O-N 2.84Å; H113-A123 HydrophobicContact CB-CB 4.24Å; A123-L133 HydrophobicContact CB-CD1 3.77Å
124L98.3Very high94.8Very high26 Ų2672.8 Ų72.814%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-135.1127.1170.2175.963.7000109L79 A89 V90 F110 L126L79-L124 HydrophobicContact CD1-CD2 4.22Å; L79-L124 HydrophobicContact CD2-CD2 3.62Å; A89-L124 CarbonylContact C-O 3.59Å; A89-L124 VanDerWaalsContact CA-O 3.29Å; A89-L124 WeakPolarHBondContact CA-O 3.39Å; V90-L124 PolarHBondContact N-O 2.95Å; V90-L124 PolarHBondContact O-N 3.33Å; F110-L124 HydrophobicContact CD1-CB 3.68Å; F110-L124 HydrophobicContact CD2-CB 3.99Å; F110-L124 HydrophobicContact CD2-CD2 3.99Å; F110-L124 HydrophobicContact CE1-CB 3.55Å; F110-L124 HydrophobicContact CE2-CB 3.9Å; F110-L124 HydrophobicContact CE2-CD2 3.59Å; F110-L124 HydrophobicContact CE2-CG 4.39Å; F110-L124 HydrophobicContact CG-CB 3.9Å; F110-L124 HydrophobicContact CZ-CB 3.68Å; F110-L124 HydrophobicContact CZ-CD2 3.97Å; L124-L126 HydrophobicContact CD2-CD2 3.75Å; L124-L126 HydrophobicContact CG-CD2 3.98Å
125W97.8Very high94.6Very high53 Ų5373.7 Ų73.720%0.20142%0.423CS..EExtended strand (participates in β ladder)trans-84.4126.3169.3-177.4-113.5000109.4M88 A89 G127 R132 L133M88-W125 HydrophobicContact CB-CH2 4.07Å; M88-W125 HydrophobicContact CB-CZ3 3.99Å; M88-W125 HydrophobicContact CE-CH2 3.52Å; M88-W125 HydrophobicContact CE-CZ2 3.51Å; M88-W125 HydrophobicContact CE-CZ3 4.45Å; M88-W125 WeakPolarHBondContact O-CZ3 3.37Å; A89-W125 HydrophobicContact CB-CE3 4.1Å; A89-W125 HydrophobicContact CB-CZ3 4.38Å; W125-G127 VanDerWaalsContact CD1-O 3.3Å; W125-G127 VanDerWaalsContact NE1-C 3.34Å; W125-G127 PolarHBondContact NE1-O 2.89Å; W125-R132 HydrophobicContact CH2-CB 4.12Å; W125-R132 HydrophobicContact CH2-CG 4.5Å; W125-R132 HydrophobicContact CZ2-CB 4.33Å; W125-R132 HydrophobicContact CZ2-CG 4.28Å; W125-R132 HydrophobicContact CZ3-CB 4.47Å; W125-L133 HydrophobicContact CE3-CD2 3.93Å; W125-L133 HydrophobicContact CE3-CG 3.92Å; W125-L133 HydrophobicContact CZ3-CD2 4.17Å
126L96.3Very high94.4Very high33 Ų3375.2 Ų75.217%0.17342%0.417CS..  trans-101.3-15.2177.7-62.7-177000112.9L79 W82 K87 M88 V90 L124L79-L126 HydrophobicContact CD2-CD2 4.19Å; W82-L126 HydrophobicContact CB-CD1 4.19Å; K87-L126 HydrophobicContact CB-CD1 4.31Å; K87-L126 WeakPolarHBondContact O-CB 3.4Å; M88-L126 PolarHBondContact O-N 3.34Å; V90-L126 HydrophobicContact CG2-CD1 3.62Å; V90-L126 HydrophobicContact CG2-CG 4.11Å; L124-L126 HydrophobicContact CD2-CD2 3.75Å; L124-L126 HydrophobicContact CG-CD2 3.98Å
127G90.8Very high94.3Very high18 Ų1872.2 Ų72.219%0.18642%0.416CS..SBendtrans-68.8168.2178.900000113.4M88 W125M88-G127 PolarHBondContact O-N 2.91Å; W125-G127 VanDerWaalsContact CD1-O 3.3Å; W125-G127 VanDerWaalsContact NE1-C 3.34Å; W125-G127 PolarHBondContact NE1-O 2.89Å
128E90Very high94.3Very high188 Ų18870.3 Ų70.388%0.87940%0.399SS*.SBendtrans-72.4146.8174.1-61.8-173.5167.600111.7
129G90.7Very high94.2Very high71 Ų7168.7 Ų68.773%0.73239%0.388SS*.SBendtrans74.6-157.6175.200000114.5
130E92.3Very high94Very high180 Ų18069.8 Ų69.884%0.84139%0.393SS*.SBendtrans-63.9142.8-179.3-67.6-173.2163.400112R132E130-R132 PolarHBondContact O-N 3.18Å
131S93.9Very high93.9Very high69 Ų6971.3 Ų71.348%0.48340%0.402SS..  trans-59.4130.5176.4179.30000110.9L133S131-L133 PolarHBondContact OG-N 3.32Å
132R92.8Very high93.9Very high207 Ų20770.3 Ų70.378%0.78140%0.397SS*.  trans-101.612173.7-58.4-177.7-173.2173.93112.6W125 E130W125-R132 HydrophobicContact CH2-CB 4.12Å; W125-R132 HydrophobicContact CH2-CG 4.5Å; W125-R132 HydrophobicContact CZ2-CB 4.33Å; W125-R132 HydrophobicContact CZ2-CG 4.28Å; W125-R132 HydrophobicContact CZ3-CB 4.47Å; E130-R132 PolarHBondContact O-N 3.18Å
133L93.9Very high93.9Very high36 Ų3670.1 Ų70.119%0.18840%0.396CS..PPolyproline II helixtrans-66.3130.9175.5-63.3-175.9000109A89 W91 A123 W125 S131A89-L133 HydrophobicContact CB-CD1 4.28Å; A89-L133 HydrophobicContact CB-CD2 3.66Å; A89-L133 HydrophobicContact CB-CG 4.45Å; W91-L133 HydrophobicContact CH2-CB 4.35Å; W91-L133 HydrophobicContact CH2-CD1 4.29Å; W91-L133 HydrophobicContact CH2-CD2 4.26Å; W91-L133 HydrophobicContact CZ2-CD1 4.25Å; W91-L133 HydrophobicContact CZ2-CD2 3.64Å; W91-L133 HydrophobicContact CZ2-CG 4.37Å; A123-L133 HydrophobicContact CB-CD1 3.77Å; W125-L133 HydrophobicContact CE3-CD2 3.93Å; W125-L133 HydrophobicContact CE3-CG 3.92Å; W125-L133 HydrophobicContact CZ3-CD2 4.17Å; S131-L133 PolarHBondContact OG-N 3.32Å
134P90.8Very high93.9Very high91 Ų9170 Ų7059%0.59139%0.394SS*.PPolyproline II helixtrans-61.7146.6174.928-33.9000109.1H113H113-P134 PolarHBondContact NE2-O 3.26Å
135G91.3Very high93.9Very high66 Ų6668.7 Ų68.768%0.6839%0.388SS*.PPolyproline II helixtrans-6716716700000111.5
136F92.8Very high94Very high105 Ų10566.2 Ų66.246%0.46138%0.378SS..  trans-74.3-179.3171.1-164.2-120.7000112.2H113 H114 T138H113-F136 AromaticContact CE1-CD2 3.72Å; H113-F136 AromaticContact ND1-CD2 3.79Å; H113-F136 WeakPolarHBondContact O-CB 3.47Å; H114-F136 HydrophobicContact CB-CB 4.05Å; H114-F136 HydrophobicContact CB-CD1 3.43Å; H114-F136 VanDerWaalsContact CB-CD1 3.43Å; H114-F136 HydrophobicContact CB-CD2 3.47Å; H114-F136 VanDerWaalsContact CB-CD2 3.47Å; H114-F136 HydrophobicContact CB-CE1 3.61Å; H114-F136 HydrophobicContact CB-CE2 3.64Å; H114-F136 HydrophobicContact CB-CG 3.36Å; H114-F136 HydrophobicContact CB-CZ 3.7Å; H114-F136 AromaticContact CD2-CD2 3.94Å; H114-F136 AromaticContact CD2-CE2 3.33Å; H114-F136 WeakPolarHBondContact CD2-CE2 3.46Å; H114-F136 AromaticContact CD2-CZ 3.53Å; H114-F136 AromaticContact CE1-CE2 3.88Å; H114-F136 AromaticContact CG-CD2 3.42Å; H114-F136 VanDerWaalsContact CG-CD2 3.42Å; H114-F136 AromaticContact CG-CE2 3.32Å; H114-F136 AromaticContact CG-CG 3.89Å; H114-F136 AromaticContact CG-CZ 3.71Å; H114-F136 AromaticContact ND1-CD2 3.55Å; H114-F136 AromaticContact ND1-CE2 3.68Å; H114-F136 AromaticContact NE2-CE2 3.71Å; F136-T138 WeakPolarHBondContact O-CG2 3.49Å; F136-T138 PolarHBondContact O-N 2.84Å
137A90.6Very high94.1Very high65 Ų6564.6 Ų64.654%0.53737%0.37SS..  trans-49.9124.1179.200000111.9
138T91.4Very high94.5Very high83 Ų8363.8 Ų63.851%0.50936%0.362SS..  trans-101.5-15-173.9540000113.9F136 S218F136-T138 WeakPolarHBondContact O-CG2 3.49Å; F136-T138 PolarHBondContact O-N 2.84Å; T138-S218 PolarHBondContact O-N 3.42Å
139H93.8Very high94.9Very high61 Ų6155.6 Ų55.628%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-127.2137.5-176.6-66.272.6000111Q207 S218 M220H139-Q207 PolarHBondContact NE2-NE2 3.23Å; H139-S218 CarbonylContact C-O 3.57Å; H139-S218 WeakPolarHBondContact CA-O 3.29Å; H139-S218 WeakPolarHBondContact CD2-CB 3.41Å; H139-S218 VanDerWaalsContact NE2-CB 3.27Å; H139-S218 WeakPolarHBondContact NE2-CB 3.31Å; H139-M220 HydrophobicContact CB-CG 4.28Å
140Q93.8Very high95.2Very high64 Ų6456.7 Ų56.730%0.29931%0.31SS..EExtended strand (participates in β ladder)trans-81.8149.1155.8-67.7-178.4-2500109L174 S218 M220Q140-L174 HydrophobicContact CB-CD2 4.4Å; Q140-S218 PolarHBondContact N-O 3.4Å; Q140-M220 PolarHBondContact O-N 3.27Å
141V96.2Very high95.5Very high52 Ų5252.9 Ų52.932%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-116.2116.2179179.30000108.6V143 S175 M220 L222V141-V143 HydrophobicContact CG1-CG2 4.29Å; V141-S175 PolarHBondContact O-N 2.81Å; V141-M220 CarbonylContact C-O 3.55Å; V141-M220 WeakPolarHBondContact CA-O 3.39Å; V141-L222 HydrophobicContact CG1-CD1 3.5Å; V141-L222 VanDerWaalsContact CG1-CD1 3.5Å
142G97.1Very high95.7Very high0 Ų053.2 Ų53.20%030%0.302CS..EExtended strand (participates in β ladder)trans-106150.7168.100000111.4G173 M220 Y221 L222G142-G173 CarbonylContact C-O 3.54Å; G142-G173 WeakPolarHBondContact CA-O 3.05Å; G142-M220 PolarHBondContact N-O 2.93Å; G142-Y221 CarbonylContact O-C 3.57Å; G142-Y221 VanDerWaalsContact O-CA 3.3Å; G142-Y221 WeakPolarHBondContact O-CA 3.31Å; G142-L222 PolarHBondContact O-N 3.28Å
143V98.7Very high95.9Very high0 Ų044.2 Ų44.20%027%0.274CS..EExtended strand (participates in β ladder)trans-135.6133.7179.2-166.80000110.6V141 G172 G173 I181 T184 A185 L222V141-V143 HydrophobicContact CG1-CG2 4.29Å; V143-G172 CarbonylContact O-C 3.55Å; V143-G172 WeakPolarHBondContact O-CA 3.45Å; V143-G173 PolarHBondContact N-O 3.38Å; V143-G173 PolarHBondContact O-N 2.65Å; V143-G173 VanDerWaalsContact O-N 3.14Å; V143-I181 HydrophobicContact CG1-CG2 3.85Å; V143-I181 HydrophobicContact CG2-CG2 4.1Å; V143-T184 HydrophobicContact CB-CG2 3.75Å; V143-T184 HydrophobicContact CG2-CG2 3.76Å; V143-A185 HydrophobicContact CG1-CB 3.72Å; V143-L222 CarbonylContact C-O 3.6Å; V143-L222 VanDerWaalsContact CA-O 3.27Å; V143-L222 WeakPolarHBondContact CA-O 3.47Å; V143-L222 HydrophobicContact CG1-CB 4.34Å; V143-L222 HydrophobicContact CG2-CB 4.46Å
144A98.6Very high96.2Very high1 Ų147 Ų471%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-109.7149.9169.900000112.6F170 P171 Y221 L222 I223 C224A144-F170 HydrophobicContact CB-CB 4.03Å; A144-P171 CarbonylContact C-O 3.5Å; A144-P171 VanDerWaalsContact CA-O 3.28Å; A144-P171 WeakPolarHBondContact CA-O 3.28Å; A144-Y221 HydrophobicContact CB-CE1 3.56Å; A144-Y221 WeakPolarHBondContact CB-OH 3.18Å; A144-L222 PolarHBondContact N-O 3.2Å; A144-I223 HydrophobicContact CB-CG1 4.33Å; A144-I223 HydrophobicContact CB-CG2 4.39Å; A144-C224 PolarHBondContact O-N 3.01Å
145G98.8Very high96.5Very high0 Ų042.6 Ų42.60%026%0.256CS..EExtended strand (participates in β ladder)trans-109.3108171.300000112.4V147 P171G145-V147 PolarHBondContact O-N 3.47Å; G145-P171 PolarHBondContact N-O 2.84Å
146A98.8Very high96.9Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-80.989.5164.600000109L148 V155 F170 L203 C224 L226 L268A146-L148 PolarHBondContact O-N 3.48Å; A146-V155 HydrophobicContact CB-CG2 4.38Å; A146-F170 HydrophobicContact CB-CD1 3.88Å; A146-F170 HydrophobicContact CB-CD2 4.26Å; A146-F170 HydrophobicContact CB-CE1 3.91Å; A146-F170 HydrophobicContact CB-CE2 4.27Å; A146-F170 HydrophobicContact CB-CG 4.07Å; A146-F170 HydrophobicContact CB-CZ 4.1Å; A146-L203 HydrophobicContact CB-CD1 4.39Å; A146-C224 PolarHBondContact N-O 3.09Å; A146-L226 PolarHBondContact O-N 2.99Å; A146-L268 HydrophobicContact CB-CD1 4.06Å
147V98.9Very high97.2Very high0 Ų034.5 Ų34.50%020%0.202CC..EExtended strand (participates in β ladder)trans-77.4105.9178.4-1660000108.8G145 V155 L156 V189 L226 P228 W245G145-V147 PolarHBondContact O-N 3.47Å; V147-V155 VanDerWaalsContact O-CA 3.29Å; V147-V155 WeakPolarHBondContact O-CA 3.46Å; V147-V155 WeakPolarHBondContact O-CG2 3.31Å; V147-L156 HydrophobicContact CB-CB 3.85Å; V147-L156 HydrophobicContact CB-CD2 4.33Å; V147-L156 HydrophobicContact CG2-CB 4.28Å; V147-L156 HydrophobicContact CG2-CD2 4.07Å; V147-L156 PolarHBondContact O-N 3.26Å; V147-V189 HydrophobicContact CG2-CB 4.3Å; V147-V189 HydrophobicContact CG2-CG1 3.5Å; V147-V189 HydrophobicContact CG2-CG2 3.76Å; V147-L226 WeakPolarHBondContact CA-O 3.35Å; V147-L226 HydrophobicContact CG2-CB 4.24Å; V147-L226 HydrophobicContact CG2-CD1 4.04Å; V147-P228 HydrophobicContact CG1-CB 3.89Å; V147-P228 HydrophobicContact CG1-CG 4.37Å; V147-W245 HydrophobicContact CB-CH2 4.25Å; V147-W245 HydrophobicContact CG1-CH2 3.77Å; V147-W245 HydrophobicContact CG1-CZ3 4.38Å; V147-W245 WeakPolarHBondContact O-CZ3 3.37Å
148L98.8Very high97.5Very high1 Ų131.4 Ų31.41%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-105.8120.9-176.1179.366.1000110.6A146 E150 V155 L226 P228 V248 L268 L272 F276A146-L148 PolarHBondContact O-N 3.48Å; L148-E150 HydrophobicContact CD2-CG 4.1Å; L148-E150 HydrophobicContact CG-CG 4.2Å; L148-E150 PolarHBondContact O-N 2.85Å; L148-V155 HydrophobicContact CD1-CB 4.3Å; L148-L226 PolarHBondContact N-O 3.15Å; L148-P228 WeakPolarHBondContact O-CD 3.36Å; L148-V248 HydrophobicContact CD1-CG2 3.5Å; L148-V248 VanDerWaalsContact CD1-CG2 3.5Å; L148-L268 HydrophobicContact CD2-CD2 4.23Å; L148-L272 HydrophobicContact CD1-CD1 4.35Å; L148-L272 HydrophobicContact CD2-CD2 4.1Å; L148-L272 HydrophobicContact CD2-CG 4.23Å; L148-F276 HydrophobicContact CD2-CE1 3.65Å; L148-F276 HydrophobicContact CD2-CE2 4.48Å; L148-F276 HydrophobicContact CD2-CZ 3.38Å
149D98.6Very high97.7Very high15 Ų1528.1 Ų28.18%0.0816%0.155CC..EExtended strand (participates in β ladder)trans-84.898.9162.61806000109.2S151 T152 G153 K154 P228 Y231 W245D149-S151 PolarHBondContact O-N 3.44Å; D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.41Å; D149-S151 PolarHBondContact OD1-OG 2.86Å; D149-S151 PolarHBondContact OD2-OG 3.36Å; D149-T152 WeakPolarHBondContact CB-OG1 3.46Å; D149-T152 PolarHBondContact O-N 2.86Å; D149-T152 VanDerWaalsContact OD2-CG2 3.25Å; D149-T152 WeakPolarHBondContact OD2-CG2 3.24Å; D149-T152 PolarHBondContact OD2-OG1 2.94Å; D149-G153 PolarHBondContact O-N 3.38Å; D149-K154 PolarHBondContact N-O 3.05Å; D149-K154 PolarHBondContact O-N 3.47Å; D149-P228 HydrophobicContact CB-CG 4.12Å; D149-Y231 HydrophobicContact CB-CE1 4.3Å; D149-W245 HydrophobicContact CB-CZ3 4.3Å
150E98Very high97.4Very high94 Ų9426.4 Ų26.444%0.43915%0.148SC..THydrogen-bonded Turntrans-62.3-25.7-178.5-60.4179-162.900112.4L148 R225 L272 F276L148-E150 HydrophobicContact CD2-CG 4.1Å; L148-E150 HydrophobicContact CG-CG 4.2Å; L148-E150 PolarHBondContact O-N 2.85Å; E150-R225 IonicContact OE1-CZ 3.62Å; E150-R225 IonicContact OE1-NH1 2.82Å; E150-R225 PolarHBondContact OE1-NH1 3.14Å; E150-L272 HydrophobicContact CB-CD2 4.39Å; E150-F276 HydrophobicContact CG-CE2 3.65Å; E150-F276 HydrophobicContact CG-CZ 3.93Å; E150-F276 WeakPolarHBondContact OE1-CE2 3.39Å; E150-F276 WeakPolarHBondContact OE2-CE2 3.22Å
151S97.4Very high96.9Very high100 Ų10028.5 Ų28.570%0.69916%0.156SC*.THydrogen-bonded Turntrans-75.3-30.2-178.373.60000113.3D149D149-S151 PolarHBondContact O-N 3.44Å; D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.41Å; D149-S151 PolarHBondContact OD1-OG 2.86Å; D149-S151 PolarHBondContact OD2-OG 3.36Å
152T97.9Very high95.7Very high76 Ų7632.8 Ų32.847%0.46618%0.178SC..THydrogen-bonded Turntrans-107.9-10.6-178.661.20000113D149 K154D149-T152 WeakPolarHBondContact CB-OG1 3.46Å; D149-T152 PolarHBondContact O-N 2.86Å; D149-T152 VanDerWaalsContact OD2-CG2 3.25Å; D149-T152 WeakPolarHBondContact OD2-CG2 3.24Å; D149-T152 PolarHBondContact OD2-OG1 2.94Å; T152-K154 PolarHBondContact O-N 3.01Å
153G98.3Very high94.3Very high19 Ų1938.7 Ų38.720%0.19620%0.203CC..THydrogen-bonded Turntrans66.123.5-173.500000112.9D149 V248D149-G153 PolarHBondContact O-N 3.38Å; G153-V248 WeakPolarHBondContact O-CG2 3.18Å; G153-V248 PolarHBondContact O-N 2.89Å
154K98.8Very high92.4Very high93 Ų9346 Ų4640%0.40425%0.248SC..EExtended strand (participates in β ladder)trans-105.4144.7-179.6-64.2-174.2178.7-171.60111.9D149 T152 W245 L246D149-K154 PolarHBondContact N-O 3.05Å; D149-K154 PolarHBondContact O-N 3.47Å; T152-K154 PolarHBondContact O-N 3.01Å; K154-W245 HydrophobicContact CB-CB 4.27Å; K154-W245 HydrophobicContact CB-CE3 4.32Å; K154-W245 HydrophobicContact CD-CB 4.1Å; K154-L246 CarbonylContact C-O 3.37Å; K154-L246 WeakPolarHBondContact CA-O 3.3Å
155V98.8Very high91.2Very high0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-122.9140.7178.9650000110.6A146 V147 L148 V157 F170 L246 V248 L251 L268A146-V155 HydrophobicContact CB-CG2 4.38Å; V147-V155 VanDerWaalsContact O-CA 3.29Å; V147-V155 WeakPolarHBondContact O-CA 3.46Å; V147-V155 WeakPolarHBondContact O-CG2 3.31Å; L148-V155 HydrophobicContact CD1-CB 4.3Å; V155-V157 HydrophobicContact CG1-CG1 4.27Å; V155-V157 PolarHBondContact O-N 2.83Å; V155-F170 HydrophobicContact CG1-CE1 4.37Å; V155-F170 HydrophobicContact CG2-CD1 4.12Å; V155-F170 HydrophobicContact CG2-CE1 3.65Å; V155-L246 PolarHBondContact N-O 3.31Å; V155-L246 PolarHBondContact O-N 3.1Å; V155-V248 HydrophobicContact CB-CG2 3.89Å; V155-V248 HydrophobicContact CG1-CG2 3.86Å; V155-L251 HydrophobicContact CG1-CD2 3.61Å; V155-L268 HydrophobicContact CG2-CD1 4.18Å
156L98.8Very high90.2Very high0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-74.5125.5178.2-167.666.1000110.2V147 V189 T193 V195 I233 W245V147-L156 HydrophobicContact CB-CB 3.85Å; V147-L156 HydrophobicContact CB-CD2 4.33Å; V147-L156 HydrophobicContact CG2-CB 4.28Å; V147-L156 HydrophobicContact CG2-CD2 4.07Å; V147-L156 PolarHBondContact O-N 3.26Å; L156-V189 HydrophobicContact CD2-CG1 4.32Å; L156-T193 HydrophobicContact CD2-CG2 3.76Å; L156-T193 WeakPolarHBondContact CD2-OG1 3.27Å; L156-T193 HydrophobicContact CG-CG2 4.28Å; L156-V195 HydrophobicContact CD1-CG2 4.34Å; L156-V195 HydrophobicContact CD2-CB 3.81Å; L156-V195 HydrophobicContact CD2-CG1 4.18Å; L156-V195 HydrophobicContact CD2-CG2 3.76Å; L156-I233 HydrophobicContact CD1-CD1 3.75Å; L156-I233 HydrophobicContact CD1-CG1 4.07Å; L156-W245 HydrophobicContact CB-CD2 4.46Å; L156-W245 HydrophobicContact CB-CE3 4.06Å; L156-W245 HydrophobicContact CB-CH2 3.95Å; L156-W245 HydrophobicContact CB-CZ2 4.37Å; L156-W245 HydrophobicContact CB-CZ3 3.8Å; L156-W245 HydrophobicContact CD1-CD2 4.02Å; L156-W245 HydrophobicContact CD1-CE3 4.46Å; L156-W245 HydrophobicContact CD1-CG 4.42Å; L156-W245 HydrophobicContact CD1-CH2 4.5Å; L156-W245 HydrophobicContact CD1-CZ2 4.08Å
157V98.4Very high89.9Confident0 Ų059.5 Ų59.50%032%0.316CS..EExtended strand (participates in β ladder)trans-131.8154.9179-68.30000111.1V155 W168 K169 F170 C243 E244 L246 L251V155-V157 HydrophobicContact CG1-CG1 4.27Å; V155-V157 PolarHBondContact O-N 2.83Å; V157-W168 HydrophobicContact CB-CB 4.38Å; V157-W168 HydrophobicContact CB-CD2 4.44Å; V157-W168 HydrophobicContact CB-CE3 3.83Å; V157-W168 HydrophobicContact CG2-CD2 3.89Å; V157-W168 HydrophobicContact CG2-CE3 3.4Å; V157-W168 VanDerWaalsContact CG2-CE3 3.4Å; V157-W168 HydrophobicContact CG2-CG 4.39Å; V157-W168 HydrophobicContact CG2-CZ3 3.9Å; V157-K169 CarbonylContact C-O 3.59Å; V157-K169 VanDerWaalsContact CA-O 3.29Å; V157-K169 WeakPolarHBondContact CA-O 3.32Å; V157-K169 WeakPolarHBondContact CB-O 3.42Å; V157-F170 HydrophobicContact CG1-CD1 4.36Å; V157-F170 HydrophobicContact CG1-CE1 4.4Å; V157-C243 CarbonylContact O-C 3.56Å; V157-C243 VanDerWaalsContact O-CA 3.3Å; V157-C243 WeakPolarHBondContact O-CA 3.29Å; V157-E244 WeakPolarHBondContact CG2-O 3.36Å; V157-E244 PolarHBondContact N-O 2.82Å; V157-E244 PolarHBondContact O-N 3.5Å; V157-L246 HydrophobicContact CG2-CB 3.73Å; V157-L246 HydrophobicContact CG2-CD2 4.32Å; V157-L251 HydrophobicContact CG1-CD1 4.21Å; V157-L251 HydrophobicContact CG1-CD2 3.66Å
158V97.3Very high89.8Confident0 Ų060.5 Ų60.50%032%0.319CS..EExtended strand (participates in β ladder)trans-128.9157.8177.4-61.80000110.7W168 K169 P171 E192 T193 R242 C243V158-W168 WeakPolarHBondContact O-CA 3.3Å; V158-K169 HydrophobicContact CG2-CD 4.26Å; V158-K169 VanDerWaalsContact CG2-CE 3.4Å; V158-K169 HydrophobicContact CG2-CG 3.69Å; V158-K169 PolarHBondContact N-O 3.05Å; V158-K169 PolarHBondContact O-N 2.92Å; V158-P171 HydrophobicContact CG1-CB 4.28Å; V158-P171 HydrophobicContact CG2-CB 4.43Å; V158-E192 WeakPolarHBondContact CG2-OE2 3.37Å; V158-T193 HydrophobicContact CG1-CG2 3.73Å; V158-R242 CarbonylContact C-O 3.51Å; V158-R242 VanDerWaalsContact CA-O 3.28Å; V158-R242 WeakPolarHBondContact CA-O 3.46Å; V158-C243 HydrophobicContact CG1-CB 4.06Å
159Q95.3Very high89.7Confident15 Ų1562.1 Ų62.17%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-116.8128.7164.2-75.7176.7-12.100109.1N166 W168 C240 L241 R242Q159-N166 PolarHBondContact NE2-O 3.31Å; Q159-W168 HydrophobicContact CB-CZ3 4.47Å; Q159-W168 HydrophobicContact CG-CD2 3.81Å; Q159-W168 HydrophobicContact CG-CE3 3.53Å; Q159-W168 HydrophobicContact CG-CG 4.46Å; Q159-W168 HydrophobicContact CG-CH2 4.19Å; Q159-W168 HydrophobicContact CG-CZ2 4.45Å; Q159-W168 HydrophobicContact CG-CZ3 3.73Å; Q159-W168 VanDerWaalsContact NE2-CE2 3.3Å; Q159-C240 CarbonylContact O-C 3.44Å; Q159-C240 WeakPolarHBondContact O-CA 3.24Å; Q159-L241 HydrophobicContact CB-CB 4.47Å; Q159-L241 PolarHBondContact O-N 2.88Å; Q159-R242 HydrophobicContact CB-CB 4.38Å; Q159-R242 PolarHBondContact N-O 2.76Å
160D89Confident89.7Confident24 Ų2461.8 Ų61.813%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-67.5137.8177.4-73-26.8000111.2K163 K169D160-K163 HydrophobicContact CB-CB 4.17Å; D160-K163 HydrophobicContact CB-CD 4.08Å; D160-K163 HydrophobicContact CB-CG 3.94Å; D160-K163 WeakPolarHBondContact OD2-CD 3.4Å; D160-K163 VanDerWaalsContact OD2-CE 3.23Å; D160-K163 WeakPolarHBondContact OD2-CE 3.36Å; D160-K163 IonicContact OD2-NZ 2.76Å; D160-K163 PolarHBondContact OD2-NZ 3.41Å; D160-K169 VanDerWaalsContact CG-NZ 3.26Å; D160-K169 WeakPolarHBondContact OD1-CE 3.44Å; D160-K169 IonicContact OD1-NZ 3.17Å; D160-K169 PolarHBondContact OD1-NZ 2.72Å; D160-K169 IonicContact OD2-NZ 3.68Å; D160-K169 PolarHBondContact OD2-NZ 2.77Å
161K82.3Confident89.7Confident109 Ų10957.3 Ų57.347%0.47430%0.303SS..THydrogen-bonded Turntrans-71.5-33.1175.6-169.9177.3-173.7175.70113.4P237 E239 L241K161-P237 WeakPolarHBondContact CD-O 3.47Å; K161-P237 PolarHBondContact NZ-O 2.93Å; K161-E239 WeakPolarHBondContact CB-O 3.48Å; K161-E239 PolarHBondContact N-O 2.87Å; K161-L241 HydrophobicContact CB-CB 4.47Å
162N70.3Confident89.7Confident142 Ų14253 Ų5376%0.75927%0.274SS*.THydrogen-bonded Turntrans-99.717.8-169.3-63.4-32000113.8
163K68.7Low89.6Confident124 Ų12450.2 Ų50.254%0.53926%0.262SS..SBendtrans-109.7144.9177.9-73.8-168.7177.9149.90112D160 K165D160-K163 HydrophobicContact CB-CB 4.17Å; D160-K163 HydrophobicContact CB-CD 4.08Å; D160-K163 HydrophobicContact CB-CG 3.94Å; D160-K163 WeakPolarHBondContact OD2-CD 3.4Å; D160-K163 VanDerWaalsContact OD2-CE 3.23Å; D160-K163 WeakPolarHBondContact OD2-CE 3.36Å; D160-K163 IonicContact OD2-NZ 2.76Å; D160-K163 PolarHBondContact OD2-NZ 3.41Å; K163-K165 PolarHBondContact O-N 3.2Å
164T58.3Low89.5Confident154 Ų15453.7 Ų53.795%0.94528%0.275SS*.SBendtrans-67.4-14.8179.752.90000113.7
165K72.9Confident89.5Confident170 Ų17050.9 Ų50.974%0.73927%0.267SS*.SBendtrans-126.8125.4173.9-72.6-173.5175.7-176.40110.2K163 A167K163-K165 PolarHBondContact O-N 3.2Å; K165-A167 PolarHBondContact O-N 3.14Å
166N79.1Confident89.3Confident86 Ų8655.3 Ų55.346%0.4629%0.291SS..  trans-7672.8173.1-64.2-20000110Q159Q159-N166 PolarHBondContact NE2-O 3.31Å
167A92.8Very high89.1Confident27 Ų2761.1 Ų61.122%0.22333%0.329CS..  trans-97.4131.917700000110.3K165 K169 S256 T258K165-A167 PolarHBondContact O-N 3.14Å; A167-K169 PolarHBondContact O-N 2.88Å; A167-S256 CarbonylContact C-O 3.55Å; A167-S256 WeakPolarHBondContact CA-O 3.47Å; A167-T258 HydrophobicContact CB-CG2 4.32Å
168W96.8Very high88.8Confident21 Ų2165.1 Ų65.18%0.0837%0.37CS..BIsolated β-bridgetrans-61.6133.5171.3-66.3117.3000110.6V157 V158 Q159 R242 E244 L246 L251 S256 T257V157-W168 HydrophobicContact CB-CB 4.38Å; V157-W168 HydrophobicContact CB-CD2 4.44Å; V157-W168 HydrophobicContact CB-CE3 3.83Å; V157-W168 HydrophobicContact CG2-CD2 3.89Å; V157-W168 HydrophobicContact CG2-CE3 3.4Å; V157-W168 VanDerWaalsContact CG2-CE3 3.4Å; V157-W168 HydrophobicContact CG2-CG 4.39Å; V157-W168 HydrophobicContact CG2-CZ3 3.9Å; V158-W168 WeakPolarHBondContact O-CA 3.3Å; Q159-W168 HydrophobicContact CB-CZ3 4.47Å; Q159-W168 HydrophobicContact CG-CD2 3.81Å; Q159-W168 HydrophobicContact CG-CE3 3.53Å; Q159-W168 HydrophobicContact CG-CG 4.46Å; Q159-W168 HydrophobicContact CG-CH2 4.19Å; Q159-W168 HydrophobicContact CG-CZ2 4.45Å; Q159-W168 HydrophobicContact CG-CZ3 3.73Å; Q159-W168 VanDerWaalsContact NE2-CE2 3.3Å; W168-R242 HydrophobicContact CH2-CB 3.79Å; W168-R242 HydrophobicContact CZ3-CB 4.03Å; W168-E244 HydrophobicContact CH2-CB 4.1Å; W168-E244 HydrophobicContact CH2-CG 3.91Å; W168-E244 HydrophobicContact CZ3-CB 4.35Å; W168-E244 HydrophobicContact CZ3-CG 4.46Å; W168-L246 HydrophobicContact CG-CD2 4.46Å; W168-L251 HydrophobicContact CB-CD1 3.88Å; W168-S256 VanDerWaalsContact CD1-O 3.29Å; W168-S256 PolarHBondContact N-O 2.83Å; W168-T257 PolarHBondContact O-OG1 3.19Å
169K96.7Very high88.8Confident35 Ų3567.3 Ų67.315%0.15238%0.38CS..BIsolated β-bridgetrans-139.1167.5173.264.7168.1-159.4173.70109.7V157 V158 D160 A167V157-K169 CarbonylContact C-O 3.59Å; V157-K169 VanDerWaalsContact CA-O 3.29Å; V157-K169 WeakPolarHBondContact CA-O 3.32Å; V157-K169 WeakPolarHBondContact CB-O 3.42Å; V158-K169 HydrophobicContact CG2-CD 4.26Å; V158-K169 VanDerWaalsContact CG2-CE 3.4Å; V158-K169 HydrophobicContact CG2-CG 3.69Å; V158-K169 PolarHBondContact N-O 3.05Å; V158-K169 PolarHBondContact O-N 2.92Å; D160-K169 VanDerWaalsContact CG-NZ 3.26Å; D160-K169 WeakPolarHBondContact OD1-CE 3.44Å; D160-K169 IonicContact OD1-NZ 3.17Å; D160-K169 PolarHBondContact OD1-NZ 2.72Å; D160-K169 IonicContact OD2-NZ 3.68Å; D160-K169 PolarHBondContact OD2-NZ 2.77Å; A167-K169 PolarHBondContact O-N 2.88Å
170F98.3Very high88.9Confident8 Ų869.9 Ų69.94%0.03539%0.394CS..  trans-75.7145.2165-54.5-55.1000109.6A144 A146 V155 V157 I223 L251 T261 V264 L268A144-F170 HydrophobicContact CB-CB 4.03Å; A146-F170 HydrophobicContact CB-CD1 3.88Å; A146-F170 HydrophobicContact CB-CD2 4.26Å; A146-F170 HydrophobicContact CB-CE1 3.91Å; A146-F170 HydrophobicContact CB-CE2 4.27Å; A146-F170 HydrophobicContact CB-CG 4.07Å; A146-F170 HydrophobicContact CB-CZ 4.1Å; V155-F170 HydrophobicContact CG1-CE1 4.37Å; V155-F170 HydrophobicContact CG2-CD1 4.12Å; V155-F170 HydrophobicContact CG2-CE1 3.65Å; V157-F170 HydrophobicContact CG1-CD1 4.36Å; V157-F170 HydrophobicContact CG1-CE1 4.4Å; F170-I223 HydrophobicContact CD2-CG2 4.03Å; F170-I223 HydrophobicContact CE2-CG2 4.34Å; F170-L251 HydrophobicContact CE1-CD2 3.79Å; F170-L251 HydrophobicContact CZ-CD2 4.05Å; F170-T261 HydrophobicContact CD2-CG2 4.42Å; F170-T261 HydrophobicContact CE1-CG2 4.43Å; F170-T261 HydrophobicContact CE2-CG2 3.98Å; F170-T261 HydrophobicContact CZ-CG2 3.99Å; F170-V264 HydrophobicContact CE2-CB 3.79Å; F170-V264 HydrophobicContact CE2-CG1 3.54Å; F170-V264 HydrophobicContact CZ-CB 4.29Å; F170-V264 HydrophobicContact CZ-CG1 3.91Å; F170-L268 HydrophobicContact CZ-CD1 4.3Å
171P97.8Very high89.3Confident0 Ų070.2 Ų70.20%040%0.396CS..  trans-61.2144.6170.728.4-36.5000110.4A144 G145 V158 V189 E192 T193A144-P171 CarbonylContact C-O 3.5Å; A144-P171 VanDerWaalsContact CA-O 3.28Å; A144-P171 WeakPolarHBondContact CA-O 3.28Å; G145-P171 PolarHBondContact N-O 2.84Å; V158-P171 HydrophobicContact CG1-CB 4.28Å; V158-P171 HydrophobicContact CG2-CB 4.43Å; P171-V189 HydrophobicContact CB-CG2 4.34Å; P171-V189 HydrophobicContact CG-CB 4.34Å; P171-V189 HydrophobicContact CG-CG2 3.63Å; P171-E192 HydrophobicContact CB-CB 4.02Å; P171-E192 HydrophobicContact CB-CG 4.45Å; P171-T193 HydrophobicContact CB-CG2 3.94Å; P171-T193 HydrophobicContact CG-CG2 4.06Å
172G97.4Very high90.1Very high9 Ų965.4 Ų65.49%0.09338%0.377CS..EExtended strand (participates in β ladder)trans166.8148.4-175.100000114.6V143 E192V143-G172 CarbonylContact O-C 3.55Å; V143-G172 WeakPolarHBondContact O-CA 3.45Å; G172-E192 PolarHBondContact N-OE1 3.1Å
173G96Very high91.4Very high19 Ų1961.6 Ų61.620%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-147.4-159.9-177.600000112.5G142 V143 E188G142-G173 CarbonylContact C-O 3.54Å; G142-G173 WeakPolarHBondContact CA-O 3.05Å; V143-G173 PolarHBondContact N-O 3.38Å; V143-G173 PolarHBondContact O-N 2.65Å; V143-G173 VanDerWaalsContact O-N 3.14Å; G173-E188 WeakPolarHBondContact CA-OE1 3.29Å; G173-E188 WeakPolarHBondContact CA-OE2 3.34Å; G173-E188 VanDerWaalsContact N-CD 3.29Å; G173-E188 PolarHBondContact N-OE2 3.14Å
174L96.3Very high92.8Very high92 Ų9255.7 Ų55.748%0.48234%0.336SS..EExtended strand (participates in β ladder)trans-84.3144.2-177-68.6176.1000110.8Q140 R187Q140-L174 HydrophobicContact CB-CD2 4.4Å; L174-R187 PolarHBondContact O-NH2 3.15Å
175S97.4Very high94.8Very high33 Ų3348.3 Ų48.323%0.23129%0.291CS..PPolyproline II helixtrans-69.6136.1170.4-1780000110.6V141 E179 T184V141-S175 PolarHBondContact O-N 2.81Å; S175-E179 PolarHBondContact OG-O 3.48Å; S175-T184 PolarHBondContact OG-OG1 3.07Å
176D95.9Very high96Very high93 Ų9342.2 Ų42.250%0.49727%0.268SS..PPolyproline II helixtrans-73.6155.6169-79.7-25.1000111.3G178 E179D176-G178 PolarHBondContact O-N 2.83Å; D176-G178 VanDerWaalsContact O-N 3.1Å; D176-E179 HydrophobicContact CB-CB 4.06Å; D176-E179 PolarHBondContact N-OE2 2.85Å; D176-E179 VanDerWaalsContact O-CB 3.32Å; D176-E179 WeakPolarHBondContact O-CB 3.27Å; D176-E179 PolarHBondContact O-N 2.96Å
177P93.1Very high96.9Very high123 Ų12340.6 Ų40.680%0.79926%0.255SS*.THydrogen-bonded Turntrans-56.6117.3176.7-2635.1000112.6E179P177-E179 VanDerWaalsContact C-N 3.33Å
178G92.5Very high97.2Very high84 Ų8440.1 Ų40.187%0.86625%0.248SC*.THydrogen-bonded Turntrans835179.800000114.6D176D176-G178 PolarHBondContact O-N 2.83Å; D176-G178 VanDerWaalsContact O-N 3.1Å
179E97Very high97.3Very high46 Ų4639.1 Ų39.122%0.21524%0.244CC..  trans-79.7139.7175.3-166.2-179-146.100111.4S175 D176 P177 T184 R187S175-E179 PolarHBondContact OG-O 3.48Å; D176-E179 HydrophobicContact CB-CB 4.06Å; D176-E179 PolarHBondContact N-OE2 2.85Å; D176-E179 VanDerWaalsContact O-CB 3.32Å; D176-E179 WeakPolarHBondContact O-CB 3.27Å; D176-E179 PolarHBondContact O-N 2.96Å; P177-E179 VanDerWaalsContact C-N 3.33Å; E179-T184 WeakPolarHBondContact CG-OG1 3.13Å; E179-T184 WeakPolarHBondContact OE2-CB 3.49Å; E179-T184 PolarHBondContact OE2-OG1 3.2Å; E179-R187 IonicContact OE1-CZ 2.83Å; E179-R187 IonicContact OE1-NE 3.97Å; E179-R187 PolarHBondContact OE1-NE 2.92Å; E179-R187 IonicContact OE1-NH2 3.58Å; E179-R187 IonicContact OE2-CZ 3.48Å; E179-R187 IonicContact OE2-NE 3.88Å; E179-R187 PolarHBondContact OE2-NE 3.2Å; E179-R187 IonicContact OE2-NH2 2.67Å; E179-R187 PolarHBondContact OE2-NH2 3.08Å
180N97.4Very high97.4Very high68 Ų6842.7 Ų42.736%0.36426%0.26SS..  trans-77143.4176.5-74.8-17.8000110.8G182 S183 T184 Q296N180-G182 VanDerWaalsContact C-N 3.31Å; N180-G182 PolarHBondContact O-N 2.82Å; N180-S183 WeakPolarHBondContact O-CA 3.45Å; N180-S183 WeakPolarHBondContact O-CB 3.28Å; N180-S183 PolarHBondContact O-N 3.14Å; N180-T184 PolarHBondContact O-N 3.18Å; N180-T184 PolarHBondContact O-OG1 2.82Å; N180-Q296 VanDerWaalsContact CB-OE1 3.27Å; N180-Q296 VanDerWaalsContact CG-CD 3.46Å; N180-Q296 VanDerWaalsContact CG-OE1 3.22Å; N180-Q296 PolarHBondContact ND2-NE2 2.67Å; N180-Q296 PolarHBondContact OD1-OE1 3.17Å
181I98.4Very high97.4Very high32 Ų3246.9 Ų46.916%0.16428%0.28CS..Hα-helixtrans-51.2-47.7-177.9-67.6153.4000112.2V143 S183 T184 A185 L222 Y298V143-I181 HydrophobicContact CG1-CG2 3.85Å; V143-I181 HydrophobicContact CG2-CG2 4.1Å; I181-S183 VanDerWaalsContact C-N 3.28Å; I181-S183 PolarHBondContact O-N 3.47Å; I181-T184 PolarHBondContact O-N 2.96Å; I181-A185 PolarHBondContact O-N 2.91Å; I181-L222 HydrophobicContact CD1-CD2 3.69Å; I181-L222 HydrophobicContact CG1-CD2 4.19Å; I181-L222 HydrophobicContact CG2-CB 4.22Å; I181-L222 HydrophobicContact CG2-CD2 4.15Å; I181-Y298 HydrophobicContact CD1-CD2 4.32Å; I181-Y298 HydrophobicContact CD1-CE2 3.57Å
182G98.2Very high97.3Very high8 Ų847 Ų478%0.08228%0.281CS..Hα-helixtrans-66.9-29.1179.300000113.4N180 V186 F199N180-G182 VanDerWaalsContact C-N 3.31Å; N180-G182 PolarHBondContact O-N 2.82Å; G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.45Å; G182-V186 PolarHBondContact O-N 2.9Å; G182-F199 VanDerWaalsContact CA-CD2 3.41Å
183S98.4Very high97.4Very high61 Ų6146.6 Ų46.643%0.42728%0.276SS..Hα-helixtrans-73.4-44.4175.3-580000110.8N180 I181 A185 V186 R187N180-S183 WeakPolarHBondContact O-CA 3.45Å; N180-S183 WeakPolarHBondContact O-CB 3.28Å; N180-S183 PolarHBondContact O-N 3.14Å; I181-S183 VanDerWaalsContact C-N 3.28Å; I181-S183 PolarHBondContact O-N 3.47Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-A185 PolarHBondContact O-N 3.27Å; S183-V186 PolarHBondContact O-N 2.61Å; S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 2.88Å
184T98.8Very high97.5Very high0 Ų046.6 Ų46.60%028%0.276CS..Hα-helixtrans-54.5-50.3172.3-52.40000110.8V143 S175 E179 N180 I181 V186 R187 E188V143-T184 HydrophobicContact CB-CG2 3.75Å; V143-T184 HydrophobicContact CG2-CG2 3.76Å; S175-T184 PolarHBondContact OG-OG1 3.07Å; E179-T184 WeakPolarHBondContact CG-OG1 3.13Å; E179-T184 WeakPolarHBondContact OE2-CB 3.49Å; E179-T184 PolarHBondContact OE2-OG1 3.2Å; N180-T184 PolarHBondContact O-N 3.18Å; N180-T184 PolarHBondContact O-OG1 2.82Å; I181-T184 PolarHBondContact O-N 2.96Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 2.76Å; T184-R187 PolarHBondContact O-N 3.17Å; T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact O-CB 3.3Å; T184-E188 WeakPolarHBondContact O-CG 3.24Å; T184-E188 PolarHBondContact O-N 3.02Å
185A98.8Very high97.6Very high0 Ų042.2 Ų42.20%025%0.253CS..Hα-helixtrans-57.2-42.4179.300000112.9V143 I181 S183 V189 C224 L226V143-A185 HydrophobicContact CG1-CB 3.72Å; I181-A185 PolarHBondContact O-N 2.91Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-A185 PolarHBondContact O-N 3.27Å; A185-V189 WeakPolarHBondContact O-CB 3.44Å; A185-V189 WeakPolarHBondContact O-CG2 3.33Å; A185-V189 PolarHBondContact O-N 2.88Å; A185-C224 HydrophobicContact CB-CB 3.93Å; A185-L226 HydrophobicContact CB-CD1 4.2Å; A185-L226 HydrophobicContact CB-CD2 4.09Å
186V98.9Very high97.7Very high42 Ų4247.9 Ų47.926%0.25527%0.269SS..Hα-helixtrans-70.7-42179.91700000111.5G182 S183 T184 F190 F199 L226G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.45Å; G182-V186 PolarHBondContact O-N 2.9Å; S183-V186 PolarHBondContact O-N 2.61Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 2.76Å; V186-F190 PolarHBondContact O-N 2.89Å; V186-F190 VanDerWaalsContact O-N 3.16Å; V186-F199 HydrophobicContact CG2-CB 4.38Å; V186-L226 HydrophobicContact CG2-CD2 4.2Å
187R98.7Very high97.8Very high51 Ų5143.9 Ų43.919%0.19225%0.248CC..Hα-helixtrans-61.3-54177.2176-179.25571.4-2.5110.9L174 E179 S183 T184 V189 F190 E191L174-R187 PolarHBondContact O-NH2 3.15Å; E179-R187 IonicContact OE1-CZ 2.83Å; E179-R187 IonicContact OE1-NE 3.97Å; E179-R187 PolarHBondContact OE1-NE 2.92Å; E179-R187 IonicContact OE1-NH2 3.58Å; E179-R187 IonicContact OE2-CZ 3.48Å; E179-R187 IonicContact OE2-NE 3.88Å; E179-R187 PolarHBondContact OE2-NE 3.2Å; E179-R187 IonicContact OE2-NH2 2.67Å; E179-R187 PolarHBondContact OE2-NH2 3.08Å; S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 2.88Å; T184-R187 PolarHBondContact O-N 3.17Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.76Å; R187-F190 WeakPolarHBondContact O-CB 3.23Å; R187-F190 PolarHBondContact O-N 2.87Å; R187-E191 WeakPolarHBondContact CD-OE1 3.27Å; R187-E191 VanDerWaalsContact CG-CD 3.48Å; R187-E191 HydrophobicContact CG-CG 4.2Å; R187-E191 VanDerWaalsContact CG-OE1 3.22Å; R187-E191 WeakPolarHBondContact CG-OE1 3.39Å; R187-E191 IonicContact NH1-OE1 3.05Å; R187-E191 IonicContact NH1-OE2 2.77Å; R187-E191 PolarHBondContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.38Å; R187-E191 PolarHBondContact O-N 2.83Å
188E98.5Very high98.1Very high17 Ų1743.4 Ų43.48%0.07923%0.234CC..Hα-helixtrans-60.2-41.6-177.3-68.1-71.5171.800112G173 T184 F190 E191 E192G173-E188 WeakPolarHBondContact CA-OE1 3.29Å; G173-E188 WeakPolarHBondContact CA-OE2 3.34Å; G173-E188 VanDerWaalsContact N-CD 3.29Å; G173-E188 PolarHBondContact N-OE2 3.14Å; T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact O-CB 3.3Å; T184-E188 WeakPolarHBondContact O-CG 3.24Å; T184-E188 PolarHBondContact O-N 3.02Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.82Å; E188-E191 PolarHBondContact O-N 3.14Å; E188-E192 WeakPolarHBondContact O-CB 2.95Å; E188-E192 PolarHBondContact O-N 2.96Å
189V98.7Very high98.4Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-58.1-46.6173.3165.40000111V147 L156 P171 A185 R187 T193 V195 L226V147-V189 HydrophobicContact CG2-CB 4.3Å; V147-V189 HydrophobicContact CG2-CG1 3.5Å; V147-V189 HydrophobicContact CG2-CG2 3.76Å; L156-V189 HydrophobicContact CD2-CG1 4.32Å; P171-V189 HydrophobicContact CB-CG2 4.34Å; P171-V189 HydrophobicContact CG-CB 4.34Å; P171-V189 HydrophobicContact CG-CG2 3.63Å; A185-V189 WeakPolarHBondContact O-CB 3.44Å; A185-V189 WeakPolarHBondContact O-CG2 3.33Å; A185-V189 PolarHBondContact O-N 2.88Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.76Å; V189-T193 WeakPolarHBondContact O-CB 3.2Å; V189-T193 PolarHBondContact O-N 2.77Å; V189-T193 PolarHBondContact O-OG1 2.93Å; V189-V195 HydrophobicContact CG1-CB 4.45Å; V189-V195 WeakPolarHBondContact CG1-O 3.43Å; V189-L226 HydrophobicContact CB-CD1 4.45Å; V189-L226 HydrophobicContact CG2-CD1 3.62Å
190F98.6Very high98.4Very high110 Ų11044.7 Ų44.748%0.48221%0.212SC..Hα-helixtrans-67.2-42.6-179-178.3-107.2000111.8V186 R187 E188 G194 R196V186-F190 PolarHBondContact O-N 2.89Å; V186-F190 VanDerWaalsContact O-N 3.16Å; R187-F190 WeakPolarHBondContact O-CB 3.23Å; R187-F190 PolarHBondContact O-N 2.87Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.82Å; F190-G194 WeakPolarHBondContact CE2-O 3.34Å; F190-G194 VanDerWaalsContact O-CA 3.26Å; F190-G194 WeakPolarHBondContact O-CA 3.24Å; F190-G194 PolarHBondContact O-N 2.68Å; F190-R196 HydrophobicContact CD2-CG 3.86Å; F190-R196 HydrophobicContact CE2-CG 3.92Å
191E97.8Very high98.5Very high96 Ų9641.5 Ų41.545%0.44920%0.195SC..Hα-helixtrans-62.7-45.6178.8-73.1173.6171.600112.2R187 E188R187-E191 WeakPolarHBondContact CD-OE1 3.27Å; R187-E191 VanDerWaalsContact CG-CD 3.48Å; R187-E191 HydrophobicContact CG-CG 4.2Å; R187-E191 VanDerWaalsContact CG-OE1 3.22Å; R187-E191 WeakPolarHBondContact CG-OE1 3.39Å; R187-E191 IonicContact NH1-OE1 3.05Å; R187-E191 IonicContact NH1-OE2 2.77Å; R187-E191 PolarHBondContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.38Å; R187-E191 PolarHBondContact O-N 2.83Å; E188-E191 PolarHBondContact O-N 3.14Å
192E97.4Very high98.5Very high4 Ų440.1 Ų40.12%0.01919%0.188CC..Hα-helixtrans-76.8-34.5-178.6-74.9-166.2-133.900113.1V158 P171 G172 E188 F235 C236V158-E192 WeakPolarHBondContact CG2-OE2 3.37Å; P171-E192 HydrophobicContact CB-CB 4.02Å; P171-E192 HydrophobicContact CB-CG 4.45Å; G172-E192 PolarHBondContact N-OE1 3.1Å; E188-E192 WeakPolarHBondContact O-CB 2.95Å; E188-E192 PolarHBondContact O-N 2.96Å; E192-F235 CarbonylContact O-C 3.49Å; E192-F235 WeakPolarHBondContact O-CA 3.39Å; E192-F235 VanDerWaalsContact O-CB 3.31Å; E192-F235 WeakPolarHBondContact O-CB 3.37Å; E192-C236 PolarHBondContact O-N 2.91Å
193T98.3Very high98.5Very high0 Ų040.2 Ų40.20%019%0.186CC..Hα-helixtrans-121.9-16.2-164.276.60000115.3L156 V158 P171 V189 V195 N234L156-T193 HydrophobicContact CD2-CG2 3.76Å; L156-T193 WeakPolarHBondContact CD2-OG1 3.27Å; L156-T193 HydrophobicContact CG-CG2 4.28Å; V158-T193 HydrophobicContact CG1-CG2 3.73Å; P171-T193 HydrophobicContact CB-CG2 3.94Å; P171-T193 HydrophobicContact CG-CG2 4.06Å; V189-T193 WeakPolarHBondContact O-CB 3.2Å; V189-T193 PolarHBondContact O-N 2.77Å; V189-T193 PolarHBondContact O-OG1 2.93Å; T193-V195 PolarHBondContact O-N 3.28Å; T193-V195 WeakPolarHBondContact OG1-CB 3.4Å; T193-V195 PolarHBondContact OG1-N 3.11Å; T193-V195 VanDerWaalsContact OG1-N 3.11Å; T193-N234 CarbonylContact C-O 3.6Å; T193-N234 CarbonylContact O-C 3.55Å; T193-N234 VanDerWaalsContact O-C 3.24Å; T193-N234 PolarHBondContact O-N 2.85Å
194G98.3Very high98.5Very high19 Ų1939.3 Ų39.320%0.19618%0.18CC..  trans73.2-4.8-170.300000114.7F190 N234F190-G194 WeakPolarHBondContact CE2-O 3.34Å; F190-G194 VanDerWaalsContact O-CA 3.26Å; F190-G194 WeakPolarHBondContact O-CA 3.24Å; F190-G194 PolarHBondContact O-N 2.68Å; G194-N234 PolarHBondContact N-O 2.83Å
195V98.7Very high98.5Very high0 Ų043.7 Ų43.70%020%0.202CC..  trans-78.6126.2-179.4173.50000110.3L156 V189 T193 T230 I233 W245L156-V195 HydrophobicContact CD1-CG2 4.34Å; L156-V195 HydrophobicContact CD2-CB 3.81Å; L156-V195 HydrophobicContact CD2-CG1 4.18Å; L156-V195 HydrophobicContact CD2-CG2 3.76Å; V189-V195 HydrophobicContact CG1-CB 4.45Å; V189-V195 WeakPolarHBondContact CG1-O 3.43Å; T193-V195 PolarHBondContact O-N 3.28Å; T193-V195 WeakPolarHBondContact OG1-CB 3.4Å; T193-V195 PolarHBondContact OG1-N 3.11Å; T193-V195 VanDerWaalsContact OG1-N 3.11Å; V195-T230 WeakPolarHBondContact CG1-O 3.43Å; V195-I233 HydrophobicContact CG2-CG1 4.24Å; V195-W245 HydrophobicContact CG1-CZ2 4.23Å; V195-W245 HydrophobicContact CG2-CZ2 4.38Å
196R98.8Very high98.4Very high152 Ų15247 Ų4757%0.57422%0.215SC*.  trans-80.8137.5169.9-65.8-176.6-66.4-167.2-0.8109.3F190 L229 T230F190-R196 HydrophobicContact CD2-CG 3.86Å; F190-R196 HydrophobicContact CE2-CG 3.92Å; R196-L229 HydrophobicContact CB-CB 4.13Å; R196-L229 WeakPolarHBondContact O-CB 3.36Å; R196-L229 PolarHBondContact O-N 2.85Å; R196-T230 HydrophobicContact CB-CG2 4.23Å; R196-T230 PolarHBondContact N-OG1 2.83Å; R196-T230 VanDerWaalsContact NH2-CG2 3.31Å; R196-T230 PolarHBondContact O-N 3.39Å
197S98.8Very high98.3Very high8 Ų850.4 Ų50.46%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-141.6168.8-176.565.70000111.5S227S197-S227 CarbonylContact C-O 3.58Å; S197-S227 VanDerWaalsContact CA-O 3.28Å; S197-S227 WeakPolarHBondContact CA-O 3.13Å
198K98.7Very high98Very high114 Ų11451.2 Ų51.250%0.49623%0.234SC..EExtended strand (participates in β ladder)trans-127.7131.8176.6-178.1177.8179.4177.50110.1L226 S227 L229K198-L226 CarbonylContact O-C 3.13Å; K198-L226 VanDerWaalsContact O-CA 3.28Å; K198-L226 WeakPolarHBondContact O-CA 3.47Å; K198-S227 PolarHBondContact N-O 3.12Å; K198-S227 PolarHBondContact O-N 3.37Å; K198-L229 HydrophobicContact CB-CD1 4.36Å; K198-L229 HydrophobicContact CB-CD2 4.29Å; K198-L229 HydrophobicContact CB-CG 4.37Å
199F98.7Very high97.8Very high42 Ų4256.1 Ų56.118%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-59.2134.7173.3179.5-96.4000112.4G182 V186 S201 C224 L226 M283 Y298G182-F199 VanDerWaalsContact CA-CD2 3.41Å; V186-F199 HydrophobicContact CG2-CB 4.38Å; F199-S201 VanDerWaalsContact CE2-O 3.27Å; F199-S201 WeakPolarHBondContact CE2-O 3.34Å; F199-C224 HydrophobicContact CD2-CB 4Å; F199-C224 HydrophobicContact CE2-CB 3.79Å; F199-L226 VanDerWaalsContact CA-CD2 3.46Å; F199-L226 HydrophobicContact CB-CD2 4.03Å; F199-L226 HydrophobicContact CD2-CD2 3.94Å; F199-L226 HydrophobicContact CG-CD2 4.45Å; F199-M283 HydrophobicContact CE1-CB 4.23Å; F199-Y298 AromaticContact CZ-CE1 3.96Å; F199-Y298 HydrophobicContact CZ-CE1 3.96Å
200R98.2Very high97.2Very high115 Ų11565.9 Ų65.943%0.43429%0.294SS..EExtended strand (participates in β ladder)trans-118.7-52.2175.8-60.3-60.6179.5160.74.7112.1R225 S227R200-R225 WeakPolarHBondContact CB-O 3.33Å; R200-R225 PolarHBondContact N-O 3.33Å; R200-S227 VanDerWaalsContact CZ-OG 3.31Å; R200-S227 PolarHBondContact NE-OG 2.72Å; R200-S227 PolarHBondContact NH2-OG 2.87Å
201S98.3Very high96.4Very high0 Ų063.5 Ų63.50%028%0.284CS..EExtended strand (participates in β ladder)trans-158.8164.4-175.265.40000112F199 C224 R225 D280F199-S201 VanDerWaalsContact CE2-O 3.27Å; F199-S201 WeakPolarHBondContact CE2-O 3.34Å; S201-C224 CarbonylContact O-C 3.56Å; S201-C224 VanDerWaalsContact O-CA 3.23Å; S201-C224 WeakPolarHBondContact O-CA 3.39Å; S201-C224 WeakPolarHBondContact O-CB 3.38Å; S201-R225 PolarHBondContact N-O 2.83Å; S201-R225 PolarHBondContact O-N 3.24Å; S201-R225 VanDerWaalsContact OG-CB 3.29Å; S201-R225 WeakPolarHBondContact OG-CB 3.45Å; S201-D280 WeakPolarHBondContact CB-OD1 3.23Å; S201-D280 PolarHBondContact OG-OD1 3.27Å
202L98.7Very high95.8Very high3 Ų363.9 Ų63.92%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-85.3138.4158.6179.870.1000108.5I205 L222 L281 Y298L202-I205 HydrophobicContact CD2-CD1 4.07Å; L202-I205 HydrophobicContact CD2-CG1 3.97Å; L202-L222 HydrophobicContact CD1-CB 3.75Å; L202-L222 HydrophobicContact CD1-CD2 3.81Å; L202-L222 HydrophobicContact CD1-CG 4.29Å; L202-L222 HydrophobicContact CD2-CD2 4.12Å; L202-L281 HydrophobicContact CB-CB 4.14Å; L202-L281 HydrophobicContact CD2-CD1 4.16Å; L202-L281 HydrophobicContact CG-CD1 4.37Å; L202-L281 PolarHBondContact N-O 3.36Å; L202-L281 VanDerWaalsContact O-CB 3.32Å; L202-L281 WeakPolarHBondContact O-CB 3.32Å; L202-L281 PolarHBondContact O-N 3.21Å; L202-Y298 HydrophobicContact CB-CD1 3.69Å; L202-Y298 HydrophobicContact CB-CE1 4.19Å; L202-Y298 HydrophobicContact CD2-CD1 4.05Å; L202-Y298 HydrophobicContact CD2-CG 4.13Å; L202-Y298 HydrophobicContact CG-CD1 4.49Å
203L98.6Very high95Very high10 Ų1066.6 Ų66.65%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-106.5-42.6177.9-66.8172.7000112.4A146 I223 R225 V264 L267 L268 I279A146-L203 HydrophobicContact CB-CD1 4.39Å; L203-I223 WeakPolarHBondContact CB-O 3.42Å; L203-I223 PolarHBondContact N-O 2.83Å; L203-R225 HydrophobicContact CD1-CB 3.79Å; L203-R225 HydrophobicContact CD1-CG 4.36Å; L203-R225 HydrophobicContact CD2-CB 4Å; L203-R225 HydrophobicContact CG-CB 3.83Å; L203-V264 HydrophobicContact CD1-CG1 4.11Å; L203-L267 HydrophobicContact CB-CD2 4.22Å; L203-L267 HydrophobicContact CD2-CD2 4.46Å; L203-L268 HydrophobicContact CD1-CD2 3.61Å; L203-L268 HydrophobicContact CD1-CG 4.37Å; L203-I279 HydrophobicContact CD2-CD1 3.83Å; L203-I279 HydrophobicContact CD2-CG1 4Å
204S98.3Very high94.3Very high43 Ų4366.6 Ų66.630%0.30132%0.324SS..EExtended strand (participates in β ladder)trans-156.8155.9-170.8-168.70000112I223S204-I223 PolarHBondContact N-O 3.46Å; S204-I223 PolarHBondContact O-N 2.9Å
205I98.3Very high93.8Very high91 Ų9172.9 Ų72.947%0.46735%0.346SS..EExtended strand (participates in β ladder)trans-127.4127.4176.6-54.5169.1000107.2L202 M220 L222L202-I205 HydrophobicContact CD2-CD1 4.07Å; L202-I205 HydrophobicContact CD2-CG1 3.97Å; I205-M220 HydrophobicContact CG2-CE 3.73Å; I205-L222 HydrophobicContact CG1-CD2 4.38Å
206R96.5Very high93.2Very high70 Ų7079.5 Ų79.526%0.26438%0.382SS..EExtended strand (participates in β ladder)trans-108.9137.8171.3176.9-16382.9-175.5-0.6108.8D219 M220 Y221 I260R206-D219 IonicContact CZ-OD2 3.53Å; R206-D219 IonicContact NE-OD2 3.57Å; R206-D219 IonicContact NH2-OD2 2.68Å; R206-D219 PolarHBondContact NH2-OD2 2.85Å; R206-M220 CarbonylContact O-C 3.58Å; R206-M220 WeakPolarHBondContact O-CA 3.25Å; R206-Y221 PolarHBondContact N-O 3.41Å; R206-Y221 PolarHBondContact O-N 3.4Å; R206-I260 VanDerWaalsContact CD-CD1 3.45Å; R206-I260 HydrophobicContact CG-CD1 4.08Å
207Q96.4Very high92.8Very high114 Ų11475.9 Ų75.953%0.53337%0.372SS..EExtended strand (participates in β ladder)trans-115.2138.7168.2-170.2178.622.900110.3H139 D219H139-Q207 PolarHBondContact NE2-NE2 3.23Å; Q207-D219 WeakPolarHBondContact CA-O 3.36Å
208Q93.3Very high92.5Very high68 Ų6876.3 Ų76.332%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-136.5138.5170.9178.9-178.9-10.800110.1H211 S218 D219Q208-H211 PolarHBondContact OE1-ND1 2.86Å; Q208-H211 VanDerWaalsContact OE1-ND1 3.11Å; Q208-S218 CarbonylContact O-C 3.54Å; Q208-S218 WeakPolarHBondContact O-CA 3.37Å; Q208-D219 HydrophobicContact CB-CB 4.49Å; Q208-D219 PolarHBondContact N-O 2.8Å; Q208-D219 PolarHBondContact O-N 2.95Å
209H94.3Very high92.3Very high120 Ų12071.1 Ų71.156%0.55635%0.353SS*.SBendtrans-96.8151.1170.1-58-53.1000110.9H211 S218H209-H211 VanDerWaalsContact C-N 3.31Å; H209-H211 PolarHBondContact O-N 3.21Å; H209-S218 PolarHBondContact ND1-OG 3.3Å
210R85.9Confident92.2Very high204 Ų20472.2 Ų72.277%0.7736%0.359SS*.SBendtrans5446.9176.8-54.9179.4-175.4167.50.6111.8
211H82.9Confident92.1Very high61 Ų6168.6 Ų68.628%0.28235%0.346SS..  trans-63.7130.5177.5-173.278.6000109.4Q208 H209 G213 A214 D219Q208-H211 PolarHBondContact OE1-ND1 2.86Å; Q208-H211 VanDerWaalsContact OE1-ND1 3.11Å; H209-H211 VanDerWaalsContact C-N 3.31Å; H209-H211 PolarHBondContact O-N 3.21Å; H211-G213 PolarHBondContact O-N 2.97Å; H211-A214 HydrophobicContact CB-CB 3.92Å; H211-A214 VanDerWaalsContact O-CB 3.29Å; H211-A214 WeakPolarHBondContact O-CB 3.44Å; H211-A214 PolarHBondContact O-N 2.9Å; H211-D219 HydrophobicContact CB-CB 4.06Å
212P83.8Confident92.1Very high103 Ų10369.2 Ų69.267%0.66935%0.349SS*.THydrogen-bonded Turntrans-55.2128179-26.735.2000111.4A214P212-A214 VanDerWaalsContact C-N 3.32Å
213G81.1Confident92.1Very high62 Ų6269.2 Ų69.264%0.63935%0.349SS*.THydrogen-bonded Turntrans83.4-0.5-177.500000115.5H211 F215H211-G213 PolarHBondContact O-N 2.97Å; G213-F215 WeakPolarHBondContact O-CD2 3.22Å; G213-F215 WeakPolarHBondContact O-CE2 3.14Å
214A83.8Confident92.2Very high0 Ų068.8 Ų68.80%035%0.347CS..SBendtrans-93.210.6175.900000114H211 P212 D216 M217H211-A214 HydrophobicContact CB-CB 3.92Å; H211-A214 VanDerWaalsContact O-CB 3.29Å; H211-A214 WeakPolarHBondContact O-CB 3.44Å; H211-A214 PolarHBondContact O-N 2.9Å; P212-A214 VanDerWaalsContact C-N 3.32Å; A214-D216 PolarHBondContact O-N 2.9Å; A214-M217 HydrophobicContact CB-CB 4.44Å; A214-M217 WeakPolarHBondContact O-CB 3.46Å; A214-M217 VanDerWaalsContact O-CG 3.3Å; A214-M217 WeakPolarHBondContact O-CG 3.37Å; A214-M217 PolarHBondContact O-N 3.11Å
215F86.9Confident92.2Very high150 Ų15067.4 Ų67.466%0.65834%0.335SS*.THydrogen-bonded Turntrans51.553.6175.2-50.2-82000113.6M1 G213 M217M1-F215 HydrophobicContact CE-CZ 4.16Å; G213-F215 WeakPolarHBondContact O-CD2 3.22Å; G213-F215 WeakPolarHBondContact O-CE2 3.14Å; F215-M217 WeakPolarHBondContact O-CE 3.43Å; F215-M217 PolarHBondContact O-N 3.22Å
216D87.1Confident92.2Very high140 Ų14063.1 Ų63.175%0.74931%0.313SS*.THydrogen-bonded Turntrans63.32.9-175.4-60.5-44.5000116A214A214-D216 PolarHBondContact O-N 2.9Å
217M89.7Confident92.3Very high75 Ų7560.3 Ų60.337%0.36930%0.304SS..  trans-75.2157.4170.7-55.9-59.3116.800111.3A214 F215A214-M217 HydrophobicContact CB-CB 4.44Å; A214-M217 WeakPolarHBondContact O-CB 3.46Å; A214-M217 VanDerWaalsContact O-CG 3.3Å; A214-M217 WeakPolarHBondContact O-CG 3.37Å; A214-M217 PolarHBondContact O-N 3.11Å; F215-M217 WeakPolarHBondContact O-CE 3.43Å; F215-M217 PolarHBondContact O-N 3.22Å
218S93.6Very high92.4Very high18 Ų1855.7 Ų55.713%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-83.8165.9171.6-62.20000110.6T138 H139 Q140 Q208 H209T138-S218 PolarHBondContact O-N 3.42Å; H139-S218 CarbonylContact C-O 3.57Å; H139-S218 WeakPolarHBondContact CA-O 3.29Å; H139-S218 WeakPolarHBondContact CD2-CB 3.41Å; H139-S218 VanDerWaalsContact NE2-CB 3.27Å; H139-S218 WeakPolarHBondContact NE2-CB 3.31Å; Q140-S218 PolarHBondContact N-O 3.4Å; Q208-S218 CarbonylContact O-C 3.54Å; Q208-S218 WeakPolarHBondContact O-CA 3.37Å; H209-S218 PolarHBondContact ND1-OG 3.3Å
219D93.8Very high92.7Very high5 Ų557.5 Ų57.53%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-122.3133.8177169.175.5000109.1R206 Q207 Q208 H211R206-D219 IonicContact CZ-OD2 3.53Å; R206-D219 IonicContact NE-OD2 3.57Å; R206-D219 IonicContact NH2-OD2 2.68Å; R206-D219 PolarHBondContact NH2-OD2 2.85Å; Q207-D219 WeakPolarHBondContact CA-O 3.36Å; Q208-D219 HydrophobicContact CB-CB 4.49Å; Q208-D219 PolarHBondContact N-O 2.8Å; Q208-D219 PolarHBondContact O-N 2.95Å; H211-D219 HydrophobicContact CB-CB 4.06Å
220M96.6Very high92.9Very high64 Ų6453.1 Ų53.132%0.31528%0.277SS..EExtended strand (participates in β ladder)trans-111.1121.1162.8-70-172.471.600108.5H139 Q140 V141 G142 I205 R206H139-M220 HydrophobicContact CB-CG 4.28Å; Q140-M220 PolarHBondContact O-N 3.27Å; V141-M220 CarbonylContact C-O 3.55Å; V141-M220 WeakPolarHBondContact CA-O 3.39Å; G142-M220 PolarHBondContact N-O 2.93Å; I205-M220 HydrophobicContact CG2-CE 3.73Å; R206-M220 CarbonylContact O-C 3.58Å; R206-M220 WeakPolarHBondContact O-CA 3.25Å
221Y96.7Very high93.5Very high40 Ų4049.2 Ų49.216%0.15726%0.263CS..EExtended strand (participates in β ladder)trans-115.4115.5178.7-160.8-96.3000110.3G142 A144 R206 I223G142-Y221 CarbonylContact O-C 3.57Å; G142-Y221 VanDerWaalsContact O-CA 3.3Å; G142-Y221 WeakPolarHBondContact O-CA 3.31Å; A144-Y221 HydrophobicContact CB-CE1 3.56Å; A144-Y221 WeakPolarHBondContact CB-OH 3.18Å; R206-Y221 PolarHBondContact N-O 3.41Å; R206-Y221 PolarHBondContact O-N 3.4Å; Y221-I223 HydrophobicContact CD1-CG1 4.06Å; Y221-I223 HydrophobicContact CE1-CG1 4.22Å
222L98.6Very high94.2Very high12 Ų1253.1 Ų53.16%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-99.9137.2-177.1-64.398.7000109.9V141 G142 V143 A144 I181 L202 I205V141-L222 HydrophobicContact CG1-CD1 3.5Å; V141-L222 VanDerWaalsContact CG1-CD1 3.5Å; G142-L222 PolarHBondContact O-N 3.28Å; V143-L222 CarbonylContact C-O 3.6Å; V143-L222 VanDerWaalsContact CA-O 3.27Å; V143-L222 WeakPolarHBondContact CA-O 3.47Å; V143-L222 HydrophobicContact CG1-CB 4.34Å; V143-L222 HydrophobicContact CG2-CB 4.46Å; A144-L222 PolarHBondContact N-O 3.2Å; I181-L222 HydrophobicContact CD1-CD2 3.69Å; I181-L222 HydrophobicContact CG1-CD2 4.19Å; I181-L222 HydrophobicContact CG2-CB 4.22Å; I181-L222 HydrophobicContact CG2-CD2 4.15Å; L202-L222 HydrophobicContact CD1-CB 3.75Å; L202-L222 HydrophobicContact CD1-CD2 3.81Å; L202-L222 HydrophobicContact CD1-CG 4.29Å; L202-L222 HydrophobicContact CD2-CD2 4.12Å; I205-L222 HydrophobicContact CG1-CD2 4.38Å
223I98.8Very high94.9Very high4 Ų450.9 Ų50.92%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-116.8117.7179.6-54.4173.7000107.9A144 F170 L203 S204 Y221 I260 V264A144-I223 HydrophobicContact CB-CG1 4.33Å; A144-I223 HydrophobicContact CB-CG2 4.39Å; F170-I223 HydrophobicContact CD2-CG2 4.03Å; F170-I223 HydrophobicContact CE2-CG2 4.34Å; L203-I223 WeakPolarHBondContact CB-O 3.42Å; L203-I223 PolarHBondContact N-O 2.83Å; S204-I223 PolarHBondContact N-O 3.46Å; S204-I223 PolarHBondContact O-N 2.9Å; Y221-I223 HydrophobicContact CD1-CG1 4.06Å; Y221-I223 HydrophobicContact CE1-CG1 4.22Å; I223-I260 HydrophobicContact CD1-CG2 3.77Å; I223-V264 HydrophobicContact CD1-CG2 3.75Å; I223-V264 HydrophobicContact CG2-CG1 4.08Å; I223-V264 HydrophobicContact CG2-CG2 4.5Å
224C98.9Very high95.7Very high0 Ų054.3 Ų54.30%027%0.272CS..EExtended strand (participates in β ladder)trans-102.2144.8-176.4-58.50000110.9A144 A146 A185 F199 S201 L226A144-C224 PolarHBondContact O-N 3.01Å; A146-C224 PolarHBondContact N-O 3.09Å; A185-C224 HydrophobicContact CB-CB 3.93Å; F199-C224 HydrophobicContact CD2-CB 4Å; F199-C224 HydrophobicContact CE2-CB 3.79Å; S201-C224 CarbonylContact O-C 3.56Å; S201-C224 VanDerWaalsContact O-CA 3.23Å; S201-C224 WeakPolarHBondContact O-CA 3.39Å; S201-C224 WeakPolarHBondContact O-CB 3.38Å; C224-L226 HydrophobicContact CB-CD2 4.13Å
225R98.8Very high96.2Very high15 Ų1557.7 Ų57.76%0.05729%0.287CS..EExtended strand (participates in β ladder)trans-84.5129.8164.2-162.1169.66284.1-3.9108.9E150 R200 S201 L203 L268 D280E150-R225 IonicContact OE1-CZ 3.62Å; E150-R225 IonicContact OE1-NH1 2.82Å; E150-R225 PolarHBondContact OE1-NH1 3.14Å; R200-R225 WeakPolarHBondContact CB-O 3.33Å; R200-R225 PolarHBondContact N-O 3.33Å; S201-R225 PolarHBondContact N-O 2.83Å; S201-R225 PolarHBondContact O-N 3.24Å; S201-R225 VanDerWaalsContact OG-CB 3.29Å; S201-R225 WeakPolarHBondContact OG-CB 3.45Å; L203-R225 HydrophobicContact CD1-CB 3.79Å; L203-R225 HydrophobicContact CD1-CG 4.36Å; L203-R225 HydrophobicContact CD2-CB 4Å; L203-R225 HydrophobicContact CG-CB 3.83Å; R225-L268 HydrophobicContact CG-CD2 4.12Å; R225-D280 IonicContact CZ-OD1 3.75Å; R225-D280 IonicContact CZ-OD2 2.85Å; R225-D280 IonicContact NE-OD1 3.84Å; R225-D280 PolarHBondContact NE-OD1 3.46Å; R225-D280 IonicContact NE-OD2 3.74Å; R225-D280 PolarHBondContact NE-OD2 3.31Å; R225-D280 IonicContact NH2-OD1 2.86Å; R225-D280 IonicContact NH2-OD2 3.44Å; R225-D280 PolarHBondContact NH2-OD2 2.85Å
226L98.9Very high96.5Very high0 Ų051.9 Ų51.90%026%0.264CS..EExtended strand (participates in β ladder)trans-124.5150.6176.2-48.9177.2000109.4A146 V147 L148 A185 V186 V189 K198 F199 C224A146-L226 PolarHBondContact O-N 2.99Å; V147-L226 WeakPolarHBondContact CA-O 3.35Å; V147-L226 HydrophobicContact CG2-CB 4.24Å; V147-L226 HydrophobicContact CG2-CD1 4.04Å; L148-L226 PolarHBondContact N-O 3.15Å; A185-L226 HydrophobicContact CB-CD1 4.2Å; A185-L226 HydrophobicContact CB-CD2 4.09Å; V186-L226 HydrophobicContact CG2-CD2 4.2Å; V189-L226 HydrophobicContact CB-CD1 4.45Å; V189-L226 HydrophobicContact CG2-CD1 3.62Å; K198-L226 CarbonylContact O-C 3.13Å; K198-L226 VanDerWaalsContact O-CA 3.28Å; K198-L226 WeakPolarHBondContact O-CA 3.47Å; F199-L226 VanDerWaalsContact CA-CD2 3.46Å; F199-L226 HydrophobicContact CB-CD2 4.03Å; F199-L226 HydrophobicContact CD2-CD2 3.94Å; F199-L226 HydrophobicContact CG-CD2 4.45Å; C224-L226 HydrophobicContact CB-CD2 4.13Å
227S98.7Very high96.7Very high12 Ų1248.9 Ų48.98%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-101.6138.716762.90000110S197 K198 R200S197-S227 CarbonylContact C-O 3.58Å; S197-S227 VanDerWaalsContact CA-O 3.28Å; S197-S227 WeakPolarHBondContact CA-O 3.13Å; K198-S227 PolarHBondContact N-O 3.12Å; K198-S227 PolarHBondContact O-N 3.37Å; R200-S227 VanDerWaalsContact CZ-OG 3.31Å; R200-S227 PolarHBondContact NE-OG 2.72Å; R200-S227 PolarHBondContact NH2-OG 2.87Å
228P98.7Very high96.6Very high16 Ų1652.4 Ų52.410%0.10427%0.268CS..EExtended strand (participates in β ladder)trans-65.9147.8174.126.4-31.3000111.6V147 L148 D149 T230 Y231 W245V147-P228 HydrophobicContact CG1-CB 3.89Å; V147-P228 HydrophobicContact CG1-CG 4.37Å; L148-P228 WeakPolarHBondContact O-CD 3.36Å; D149-P228 HydrophobicContact CB-CG 4.12Å; P228-T230 WeakPolarHBondContact CB-O 3.46Å; P228-Y231 HydrophobicContact CB-CE1 4.18Å; P228-Y231 HydrophobicContact CG-CE1 3.81Å; P228-W245 HydrophobicContact CB-CH2 3.91Å; P228-W245 HydrophobicContact CB-CZ2 4.36Å; P228-W245 HydrophobicContact CG-CH2 4.16Å
229L98.8Very high96.3Very high107 Ų10756 Ų5656%0.5628%0.283SS*.SBendtrans-112-20.1166.4-59.7176.6000111.1R196 K198R196-L229 HydrophobicContact CB-CB 4.13Å; R196-L229 WeakPolarHBondContact O-CB 3.36Å; R196-L229 PolarHBondContact O-N 2.85Å; K198-L229 HydrophobicContact CB-CD1 4.36Å; K198-L229 HydrophobicContact CB-CD2 4.29Å; K198-L229 HydrophobicContact CB-CG 4.37Å
230T98.6Very high96.2Very high28 Ų2855.9 Ų55.917%0.17228%0.282CS..  trans-136.2165171.159.10000109.4V195 R196 P228V195-T230 WeakPolarHBondContact CG1-O 3.43Å; R196-T230 HydrophobicContact CB-CG2 4.23Å; R196-T230 PolarHBondContact N-OG1 2.83Å; R196-T230 VanDerWaalsContact NH2-CG2 3.31Å; R196-T230 PolarHBondContact O-N 3.39Å; P228-T230 WeakPolarHBondContact CB-O 3.46Å
231Y98.3Very high96.1Very high121 Ų12156.5 Ų56.548%0.47529%0.286SS..  trans-123.9-25.2-174.6-61.4-89.2000113.3D149 P228 I233 W245D149-Y231 HydrophobicContact CB-CE1 4.3Å; P228-Y231 HydrophobicContact CB-CE1 4.18Å; P228-Y231 HydrophobicContact CG-CE1 3.81Å; Y231-I233 PolarHBondContact O-N 2.89Å; Y231-W245 HydrophobicContact CD1-CZ2 4.45Å; Y231-W245 PolarHBondContact O-NE1 2.88Å
232D98.1Very high96Very high144 Ų14460.6 Ų60.677%0.7730%0.301SS*.  trans-65.2129176.3-60.8-46.7000110.6
233I98.4Very high96Very high56 Ų5660.5 Ų60.529%0.28730%0.302SS..  trans-93.2128.5179.2-62.5175.6000108.6L156 V195 Y231 F235 C243 W245L156-I233 HydrophobicContact CD1-CD1 3.75Å; L156-I233 HydrophobicContact CD1-CG1 4.07Å; V195-I233 HydrophobicContact CG2-CG1 4.24Å; Y231-I233 PolarHBondContact O-N 2.89Å; I233-F235 HydrophobicContact CG2-CB 4.06Å; I233-F235 HydrophobicContact CG2-CD1 4Å; I233-C243 HydrophobicContact CG2-CB 3.77Å; I233-C243 VanDerWaalsContact CG2-SG 3.59Å; I233-W245 HydrophobicContact CD1-CG 4.48Å
234N96.9Very high96Very high134 Ų13463.2 Ų63.272%0.71731%0.314SS*.  trans-134.375.2169.118038.1000108.2T193 G194T193-N234 CarbonylContact C-O 3.6Å; T193-N234 CarbonylContact O-C 3.55Å; T193-N234 VanDerWaalsContact O-C 3.24Å; T193-N234 PolarHBondContact O-N 2.85Å; G194-N234 PolarHBondContact N-O 2.83Å
235F94.9Very high96Very high71 Ų7165.4 Ų65.431%0.31132%0.323SS..  trans-78.4154.3-169.572.3-93.7000113E192 I233 P237 C240 C243E192-F235 CarbonylContact O-C 3.49Å; E192-F235 WeakPolarHBondContact O-CA 3.39Å; E192-F235 VanDerWaalsContact O-CB 3.31Å; E192-F235 WeakPolarHBondContact O-CB 3.37Å; I233-F235 HydrophobicContact CG2-CB 4.06Å; I233-F235 HydrophobicContact CG2-CD1 4Å; F235-P237 VanDerWaalsContact O-CD 3.24Å; F235-P237 WeakPolarHBondContact O-CD 3.36Å; F235-C240 HydrophobicContact CD2-CB 3.87Å; F235-C240 HydrophobicContact CE2-CB 4.49Å; F235-C243 HydrophobicContact CB-CB 3.53Å; F235-C243 HydrophobicContact CD1-CB 3.88Å; F235-C243 HydrophobicContact CG-CB 3.78Å
236C93.1Very high95.9Very high27 Ų2765.2 Ų65.218%0.18232%0.323CS..  trans-75112.2178.6-1790000111.3E192 H238 E239 C240E192-C236 PolarHBondContact O-N 2.91Å; C236-H238 PolarHBondContact O-N 2.88Å; C236-E239 HydrophobicContact CB-CB 4.49Å; C236-E239 PolarHBondContact O-N 2.77Å; C236-C240 PolarHBondContact O-N 3.27Å
237P91.3Very high95.9Very high78 Ų7867 Ų6751%0.50634%0.335SS..THydrogen-bonded Turntrans-75.6-6.1-177.232.4-37.1000113.8K161 F235K161-P237 WeakPolarHBondContact CD-O 3.47Å; K161-P237 PolarHBondContact NZ-O 2.93Å; F235-P237 VanDerWaalsContact O-CD 3.24Å; F235-P237 WeakPolarHBondContact O-CD 3.36Å
238H89Confident95.9Very high149 Ų14966.4 Ų66.469%0.6933%0.331SS*.THydrogen-bonded Turntrans-80.6-33.7173.7-63.991.2000111.4C236C236-H238 PolarHBondContact O-N 2.88Å
239E87.1Confident95.9Very high94 Ų9468.2 Ų68.244%0.43934%0.344SS..THydrogen-bonded Turntrans-103.9-43.5-174.6-64.6-173.2-152.300112K161 C236K161-E239 WeakPolarHBondContact CB-O 3.48Å; K161-E239 PolarHBondContact N-O 2.87Å; C236-E239 HydrophobicContact CB-CB 4.49Å; C236-E239 PolarHBondContact O-N 2.77Å
240C91.8Very high95.8Very high2 Ų267.9 Ų67.91%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-105.3141.4-174.8-48.10000111.8Q159 F235 C236Q159-C240 CarbonylContact O-C 3.44Å; Q159-C240 WeakPolarHBondContact O-CA 3.24Å; F235-C240 HydrophobicContact CD2-CB 3.87Å; F235-C240 HydrophobicContact CE2-CB 4.49Å; C236-C240 PolarHBondContact O-N 3.27Å
241L93.6Very high95.8Very high76 Ų7666.6 Ų66.640%0.39833%0.331SS..EExtended strand (participates in β ladder)trans-85.2-40.1168.4-17963.6000111.5Q159 K161Q159-L241 HydrophobicContact CB-CB 4.47Å; Q159-L241 PolarHBondContact O-N 2.88Å; K161-L241 HydrophobicContact CB-CB 4.47Å
242R95.8Very high95.8Very high126 Ų12661 Ų6148%0.47531%0.31SS..EExtended strand (participates in β ladder)trans-143.5152.4178.7-61.6-177.177.6153.10.1110V158 Q159 W168 E244V158-R242 CarbonylContact C-O 3.51Å; V158-R242 VanDerWaalsContact CA-O 3.28Å; V158-R242 WeakPolarHBondContact CA-O 3.46Å; Q159-R242 HydrophobicContact CB-CB 4.38Å; Q159-R242 PolarHBondContact N-O 2.76Å; W168-R242 HydrophobicContact CH2-CB 3.79Å; W168-R242 HydrophobicContact CZ3-CB 4.03Å; R242-E244 IonicContact CZ-OE1 3.63Å; R242-E244 IonicContact NE-OE1 2.65Å; R242-E244 PolarHBondContact NE-OE1 3.46Å; R242-E244 IonicContact NH2-OE1 2.61Å; R242-E244 PolarHBondContact NH2-OE1 3.37Å
243C97.6Very high95.7Very high11 Ų1162.1 Ų62.17%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-144125.1170.7-178.50000109V157 V158 I233 F235V157-C243 CarbonylContact O-C 3.56Å; V157-C243 VanDerWaalsContact O-CA 3.3Å; V157-C243 WeakPolarHBondContact O-CA 3.29Å; V158-C243 HydrophobicContact CG1-CB 4.06Å; I233-C243 HydrophobicContact CG2-CB 3.77Å; I233-C243 VanDerWaalsContact CG2-SG 3.59Å; F235-C243 HydrophobicContact CB-CB 3.53Å; F235-C243 HydrophobicContact CD1-CB 3.88Å; F235-C243 HydrophobicContact CG-CB 3.78Å
244E98.1Very high95.5Very high60 Ų6061.3 Ų61.328%0.2831%0.309SS..EExtended strand (participates in β ladder)trans-145.6153-170.6-66.8-177.9-155.500112.4V157 W168 R242V157-E244 WeakPolarHBondContact CG2-O 3.36Å; V157-E244 PolarHBondContact N-O 2.82Å; V157-E244 PolarHBondContact O-N 3.5Å; W168-E244 HydrophobicContact CH2-CB 4.1Å; W168-E244 HydrophobicContact CH2-CG 3.91Å; W168-E244 HydrophobicContact CZ3-CB 4.35Å; W168-E244 HydrophobicContact CZ3-CG 4.46Å; R242-E244 IonicContact CZ-OE1 3.63Å; R242-E244 IonicContact NE-OE1 2.65Å; R242-E244 PolarHBondContact NE-OE1 3.46Å; R242-E244 IonicContact NH2-OE1 2.61Å; R242-E244 PolarHBondContact NH2-OE1 3.37Å
245W98.6Very high95.3Very high47 Ų4760.5 Ų60.518%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-87.2100.3165.2-72.3107.1000109.4V147 D149 K154 L156 V195 P228 Y231 I233V147-W245 HydrophobicContact CB-CH2 4.25Å; V147-W245 HydrophobicContact CG1-CH2 3.77Å; V147-W245 HydrophobicContact CG1-CZ3 4.38Å; V147-W245 WeakPolarHBondContact O-CZ3 3.37Å; D149-W245 HydrophobicContact CB-CZ3 4.3Å; K154-W245 HydrophobicContact CB-CB 4.27Å; K154-W245 HydrophobicContact CB-CE3 4.32Å; K154-W245 HydrophobicContact CD-CB 4.1Å; L156-W245 HydrophobicContact CB-CD2 4.46Å; L156-W245 HydrophobicContact CB-CE3 4.06Å; L156-W245 HydrophobicContact CB-CH2 3.95Å; L156-W245 HydrophobicContact CB-CZ2 4.37Å; L156-W245 HydrophobicContact CB-CZ3 3.8Å; L156-W245 HydrophobicContact CD1-CD2 4.02Å; L156-W245 HydrophobicContact CD1-CE3 4.46Å; L156-W245 HydrophobicContact CD1-CG 4.42Å; L156-W245 HydrophobicContact CD1-CH2 4.5Å; L156-W245 HydrophobicContact CD1-CZ2 4.08Å; V195-W245 HydrophobicContact CG1-CZ2 4.23Å; V195-W245 HydrophobicContact CG2-CZ2 4.38Å; P228-W245 HydrophobicContact CB-CH2 3.91Å; P228-W245 HydrophobicContact CB-CZ2 4.36Å; P228-W245 HydrophobicContact CG-CH2 4.16Å; Y231-W245 HydrophobicContact CD1-CZ2 4.45Å; Y231-W245 PolarHBondContact O-NE1 2.88Å; I233-W245 HydrophobicContact CD1-CG 4.48Å
246L98.1Very high95.3Very high11 Ų1159.9 Ų59.96%0.05832%0.318CS..EExtended strand (participates in β ladder)trans-98.5146.8-177.9-161.166.1000110.9K154 V155 V157 W168 V248 E250 L251K154-L246 CarbonylContact C-O 3.37Å; K154-L246 WeakPolarHBondContact CA-O 3.3Å; V155-L246 PolarHBondContact N-O 3.31Å; V155-L246 PolarHBondContact O-N 3.1Å; V157-L246 HydrophobicContact CG2-CB 3.73Å; V157-L246 HydrophobicContact CG2-CD2 4.32Å; W168-L246 HydrophobicContact CG-CD2 4.46Å; L246-V248 PolarHBondContact O-N 3.42Å; L246-E250 VanDerWaalsContact CD1-CD 3.4Å; L246-E250 HydrophobicContact CD1-CG 4.3Å; L246-E250 WeakPolarHBondContact CD1-OE1 3.29Å; L246-E250 VanDerWaalsContact CD1-OE2 3.31Å; L246-E250 WeakPolarHBondContact CD1-OE2 3.43Å; L246-E250 HydrophobicContact CD2-CG 4.48Å; L246-E250 HydrophobicContact CG-CB 4.42Å; L246-E250 HydrophobicContact CG-CG 4.33Å; L246-L251 HydrophobicContact CD2-CB 4.01Å; L246-L251 HydrophobicContact CD2-CD1 3.97Å
247S98.5Very high95.3Very high36 Ų3659.5 Ų59.525%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-59.6137.2170.4176.60000110.4S249 E250 L251S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 2.85Å; S247-S249 PolarHBondContact OG-OG 3.06Å; S247-E250 PolarHBondContact O-N 2.94Å; S247-L251 PolarHBondContact O-N 2.95Å
248V98.4Very high95.5Very high1 Ų158.3 Ų58.31%0.00631%0.306CS..Hα-helixtrans-62.2-37.3175.4175.50000111.2L148 G153 V155 L246 L251 A252 A265 L268 L269 L272L148-V248 HydrophobicContact CD1-CG2 3.5Å; L148-V248 VanDerWaalsContact CD1-CG2 3.5Å; G153-V248 WeakPolarHBondContact O-CG2 3.18Å; G153-V248 PolarHBondContact O-N 2.89Å; V155-V248 HydrophobicContact CB-CG2 3.89Å; V155-V248 HydrophobicContact CG1-CG2 3.86Å; L246-V248 PolarHBondContact O-N 3.42Å; V248-L251 PolarHBondContact O-N 2.9Å; V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.34Å; V248-A265 HydrophobicContact CG1-CB 4.45Å; V248-A265 WeakPolarHBondContact CG1-O 3.43Å; V248-L268 HydrophobicContact CG1-CB 3.89Å; V248-L269 HydrophobicContact CG1-CB 3.97Å; V248-L272 HydrophobicContact CB-CD1 4.31Å; V248-L272 HydrophobicContact CG2-CD1 4.22Å
249S98Very high95.8Very high53 Ų5356.7 Ų56.737%0.37131%0.309SS..Hα-helixtrans-64.2-43.1176.459.30000111.6S247 A252 E253S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 2.85Å; S247-S249 PolarHBondContact OG-OG 3.06Å; S249-A252 WeakPolarHBondContact O-CB 3.47Å; S249-A252 PolarHBondContact O-N 2.87Å; S249-E253 PolarHBondContact O-N 3.47Å
250E98Very high96.3Very high101 Ų10155.5 Ų55.547%0.47231%0.305SS..Hα-helixtrans-63.2-45.1176.1-176.8-177.3168.500111.4L246 S247 A252 E253 T254L246-E250 VanDerWaalsContact CD1-CD 3.4Å; L246-E250 HydrophobicContact CD1-CG 4.3Å; L246-E250 WeakPolarHBondContact CD1-OE1 3.29Å; L246-E250 VanDerWaalsContact CD1-OE2 3.31Å; L246-E250 WeakPolarHBondContact CD1-OE2 3.43Å; L246-E250 HydrophobicContact CD2-CG 4.48Å; L246-E250 HydrophobicContact CG-CB 4.42Å; L246-E250 HydrophobicContact CG-CG 4.33Å; S247-E250 PolarHBondContact O-N 2.94Å; E250-A252 PolarHBondContact O-N 3.38Å; E250-E253 PolarHBondContact O-N 2.97Å; E250-T254 WeakPolarHBondContact O-CB 3.48Å; E250-T254 PolarHBondContact O-N 3.24Å
251L98.1Very high96.5Very high0 Ų055.7 Ų55.70%031%0.306CS..Hα-helixtrans-63.1-31.5177.4-172.961.3000112.6V155 V157 W168 F170 L246 S247 V248 E253 T254 T257 T261 A265V155-L251 HydrophobicContact CG1-CD2 3.61Å; V157-L251 HydrophobicContact CG1-CD1 4.21Å; V157-L251 HydrophobicContact CG1-CD2 3.66Å; W168-L251 HydrophobicContact CB-CD1 3.88Å; F170-L251 HydrophobicContact CE1-CD2 3.79Å; F170-L251 HydrophobicContact CZ-CD2 4.05Å; L246-L251 HydrophobicContact CD2-CB 4.01Å; L246-L251 HydrophobicContact CD2-CD1 3.97Å; S247-L251 PolarHBondContact O-N 2.95Å; V248-L251 PolarHBondContact O-N 2.9Å; L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.22Å; L251-T254 HydrophobicContact CD1-CG2 4.34Å; L251-T257 HydrophobicContact CD1-CG2 4.47Å; L251-T261 HydrophobicContact CD1-CG2 3.99Å; L251-T261 HydrophobicContact CD2-CG2 4.01Å; L251-T261 HydrophobicContact CG-CG2 4.19Å; L251-A265 HydrophobicContact CB-CB 4.03Å; L251-A265 HydrophobicContact CD2-CB 3.97Å; L251-A265 HydrophobicContact CG-CB 3.86Å
252A97.8Very high96.7Very high4 Ų452.5 Ų52.53%0.03329%0.291CS..Hα-helixtrans-71.8-21.5178.500000113.6V248 S249 E250 A265 R266V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.34Å; S249-A252 WeakPolarHBondContact O-CB 3.47Å; S249-A252 PolarHBondContact O-N 2.87Å; E250-A252 PolarHBondContact O-N 3.38Å; A252-A265 HydrophobicContact CB-CB 3.97Å; A252-R266 HydrophobicContact CB-CG 3.72Å; A252-R266 PolarHBondContact O-NE 3.16Å; A252-R266 PolarHBondContact O-NH2 3.29Å
253E97Very high96.9Very high168 Ų16854.9 Ų54.979%0.78530%0.3SS*.Hα-helixtrans-111.3-28-174.1-66.5-176.1171.800113.5S249 E250 L251S249-E253 PolarHBondContact O-N 3.47Å; E250-E253 PolarHBondContact O-N 2.97Å; L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.22Å
254T94.1Very high96.9Very high39 Ų3954.6 Ų54.624%0.23930%0.297CS..  trans-59.5141.8-175.9-172.20000112.8E250 L251 S256 T257E250-T254 WeakPolarHBondContact O-CB 3.48Å; E250-T254 PolarHBondContact O-N 3.24Å; L251-T254 HydrophobicContact CD1-CG2 4.34Å; T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact OG1-N 2.82Å; T254-T257 HydrophobicContact CG2-CG2 3.8Å; T254-T257 WeakPolarHBondContact O-CG2 3.46Å
255S92.8Very high96.9Very high117 Ų11751.7 Ų51.782%0.81828%0.284SS*.SBendtrans-80.9-11.7170.860.80000112.8T257S255-T257 PolarHBondContact O-N 3.37Å; S255-T257 VanDerWaalsContact O-N 3.16Å
256S93.6Very high96.9Very high58 Ų5855.5 Ų55.541%0.40630%0.298SS..SBendtrans-88.240.3179.7-61.50000112.2A167 W168 T254A167-S256 CarbonylContact C-O 3.55Å; A167-S256 WeakPolarHBondContact CA-O 3.47Å; W168-S256 VanDerWaalsContact CD1-O 3.29Å; W168-S256 PolarHBondContact N-O 2.83Å; T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact OG1-N 2.82Å
257T95Very high97Very high19 Ų1957.6 Ų57.612%0.11731%0.309CS..BIsolated β-bridgetrans-146.7173.7176.4-165.70000110.7W168 L251 T254 S255 T261 A262W168-T257 PolarHBondContact O-OG1 3.19Å; L251-T257 HydrophobicContact CD1-CG2 4.47Å; T254-T257 HydrophobicContact CG2-CG2 3.8Å; T254-T257 WeakPolarHBondContact O-CG2 3.46Å; S255-T257 PolarHBondContact O-N 3.37Å; S255-T257 VanDerWaalsContact O-N 3.16Å; T257-T261 WeakPolarHBondContact OG1-CB 3.2Å; T257-T261 VanDerWaalsContact OG1-CG2 3.24Å; T257-T261 WeakPolarHBondContact OG1-CG2 3.34Å; T257-A262 HydrophobicContact CG2-CB 3.83Å
258T94.3Very high97Very high53 Ų5355.9 Ų55.933%0.32530%0.297SS..  trans-86.1154.317682.30000111.1A167 I260 T261 A262A167-T258 HydrophobicContact CB-CG2 4.32Å; T258-I260 PolarHBondContact O-N 3.21Å; T258-T261 PolarHBondContact O-N 2.86Å; T258-T261 VanDerWaalsContact O-N 3.14Å; T258-T261 PolarHBondContact OG1-N 3.37Å; T258-T261 VanDerWaalsContact OG1-N 3.14Å; T258-T261 PolarHBondContact OG1-OG1 2.96Å; T258-A262 PolarHBondContact O-N 3.43Å
259P95.8Very high97Very high115 Ų11558 Ų5875%0.74731%0.308SS*.Hα-helixtrans-56-34.3176.4-27.735.7000114R263P259-R263 WeakPolarHBondContact O-CB 3.47Å; P259-R263 PolarHBondContact O-N 2.83Å
260I96.5Very high97Very high68 Ų6859.1 Ų59.135%0.34931%0.307SS..Hα-helixtrans-70.7-46.4177.8-69.1162.6000110.4R206 I223 T258 A262 R263 V264R206-I260 VanDerWaalsContact CD-CD1 3.45Å; R206-I260 HydrophobicContact CG-CD1 4.08Å; I223-I260 HydrophobicContact CD1-CG2 3.77Å; T258-I260 PolarHBondContact O-N 3.21Å; I260-A262 PolarHBondContact O-N 3.47Å; I260-R263 PolarHBondContact O-N 3.13Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.82Å
261T97.8Very high97Very high7 Ų754.4 Ų54.44%0.04329%0.286CS..Hα-helixtrans-58.6-48.3176.7-47.90000110.8F170 L251 T257 T258 R263 V264 A265F170-T261 HydrophobicContact CD2-CG2 4.42Å; F170-T261 HydrophobicContact CE1-CG2 4.43Å; F170-T261 HydrophobicContact CE2-CG2 3.98Å; F170-T261 HydrophobicContact CZ-CG2 3.99Å; L251-T261 HydrophobicContact CD1-CG2 3.99Å; L251-T261 HydrophobicContact CD2-CG2 4.01Å; L251-T261 HydrophobicContact CG-CG2 4.19Å; T257-T261 WeakPolarHBondContact OG1-CB 3.2Å; T257-T261 VanDerWaalsContact OG1-CG2 3.24Å; T257-T261 WeakPolarHBondContact OG1-CG2 3.34Å; T258-T261 PolarHBondContact O-N 2.86Å; T258-T261 VanDerWaalsContact O-N 3.14Å; T258-T261 PolarHBondContact OG1-N 3.37Å; T258-T261 VanDerWaalsContact OG1-N 3.14Å; T258-T261 PolarHBondContact OG1-OG1 2.96Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 3.36Å; T261-V264 PolarHBondContact O-N 2.66Å; T261-A265 WeakPolarHBondContact O-CB 3.27Å; T261-A265 PolarHBondContact O-N 3.49Å
262A97.9Very high97Very high9 Ų957.1 Ų57.17%0.07430%0.3CS..Hα-helixtrans-61.2-38.7177.100000112.3T257 T258 I260 A265 R266T257-A262 HydrophobicContact CG2-CB 3.83Å; T258-A262 PolarHBondContact O-N 3.43Å; I260-A262 PolarHBondContact O-N 3.47Å; A262-A265 PolarHBondContact O-N 2.85Å; A262-R266 WeakPolarHBondContact O-CG 3.41Å; A262-R266 PolarHBondContact O-N 3.09Å
263R98.4Very high97Very high176 Ų17662.9 Ų62.966%0.66433%0.326SS*.Hα-helixtrans-63.8-44.4175.7175.858.566.3139.73.1111.8P259 I260 T261 R266 L267P259-R263 WeakPolarHBondContact O-CB 3.47Å; P259-R263 PolarHBondContact O-N 2.83Å; I260-R263 PolarHBondContact O-N 3.13Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 3.36Å; R263-R266 PolarHBondContact O-N 3.42Å; R263-L267 PolarHBondContact O-N 3.21Å; R263-L267 VanDerWaalsContact O-N 3.08Å
264V98.6Very high97.1Very high4 Ų459.9 Ų59.92%0.02431%0.312CS..Hα-helixtrans-69.1-35.8177.2173.50000111.1F170 L203 I223 I260 T261 R266 L267 L268F170-V264 HydrophobicContact CE2-CB 3.79Å; F170-V264 HydrophobicContact CE2-CG1 3.54Å; F170-V264 HydrophobicContact CZ-CB 4.29Å; F170-V264 HydrophobicContact CZ-CG1 3.91Å; L203-V264 HydrophobicContact CD1-CG1 4.11Å; I223-V264 HydrophobicContact CD1-CG2 3.75Å; I223-V264 HydrophobicContact CG2-CG1 4.08Å; I223-V264 HydrophobicContact CG2-CG2 4.5Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.82Å; T261-V264 PolarHBondContact O-N 2.66Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.27Å; V264-L267 CarbonylContact O-C 3.58Å; V264-L267 WeakPolarHBondContact O-CA 3.26Å; V264-L267 WeakPolarHBondContact O-CB 3.32Å; V264-L267 PolarHBondContact O-N 3.12Å; V264-L268 HydrophobicContact CG1-CD1 4.42Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 3.02Å
265A98.7Very high97.3Very high0 Ų059.2 Ų59.20%031%0.313CS..Hα-helixtrans-59.1-43.5172.700000111.8V248 L251 A252 T261 A262 L267 L268 L269V248-A265 HydrophobicContact CG1-CB 4.45Å; V248-A265 WeakPolarHBondContact CG1-O 3.43Å; L251-A265 HydrophobicContact CB-CB 4.03Å; L251-A265 HydrophobicContact CD2-CB 3.97Å; L251-A265 HydrophobicContact CG-CB 3.86Å; A252-A265 HydrophobicContact CB-CB 3.97Å; T261-A265 WeakPolarHBondContact O-CB 3.27Å; T261-A265 PolarHBondContact O-N 3.49Å; A262-A265 PolarHBondContact O-N 2.85Å; A265-L267 VanDerWaalsContact C-N 3.3Å; A265-L267 PolarHBondContact O-N 3.38Å; A265-L268 PolarHBondContact O-N 3.09Å; A265-L269 WeakPolarHBondContact O-CB 3.23Å; A265-L269 PolarHBondContact O-N 3.27Å
266R98.7Very high97.5Very high126 Ų12655 Ų5548%0.47528%0.28SS..Hα-helixtrans-62.2-36.4172-68.1-178.3-164.1107.84.3112.8A252 A262 R263 V264 L269 H270A252-R266 HydrophobicContact CB-CG 3.72Å; A252-R266 PolarHBondContact O-NE 3.16Å; A252-R266 PolarHBondContact O-NH2 3.29Å; A262-R266 WeakPolarHBondContact O-CG 3.41Å; A262-R266 PolarHBondContact O-N 3.09Å; R263-R266 PolarHBondContact O-N 3.42Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.27Å; R266-L269 PolarHBondContact O-N 2.97Å; R266-H270 PolarHBondContact O-N 3.17Å
267L98.6Very high97.6Very high55 Ų5555.7 Ų55.729%0.28828%0.279SS..Hα-helixtrans-64.7-45175.1-171.767000110.9L203 R263 V264 A265 L269 H270 G271 I279L203-L267 HydrophobicContact CB-CD2 4.22Å; L203-L267 HydrophobicContact CD2-CD2 4.46Å; R263-L267 PolarHBondContact O-N 3.21Å; R263-L267 VanDerWaalsContact O-N 3.08Å; V264-L267 CarbonylContact O-C 3.58Å; V264-L267 WeakPolarHBondContact O-CA 3.26Å; V264-L267 WeakPolarHBondContact O-CB 3.32Å; V264-L267 PolarHBondContact O-N 3.12Å; A265-L267 VanDerWaalsContact C-N 3.3Å; A265-L267 PolarHBondContact O-N 3.38Å; L267-L269 VanDerWaalsContact C-N 3.35Å; L267-L269 PolarHBondContact O-N 2.91Å; L267-H270 WeakPolarHBondContact O-CB 3.36Å; L267-H270 PolarHBondContact O-N 3.09Å; L267-G271 PolarHBondContact O-N 2.8Å; L267-I279 HydrophobicContact CD1-CB 3.79Å; L267-I279 HydrophobicContact CD1-CG2 3.46Å; L267-I279 VanDerWaalsContact CD1-CG2 3.46Å; L267-I279 HydrophobicContact CD2-CB 4.41Å; L267-I279 HydrophobicContact CG-CB 3.87Å; L267-I279 HydrophobicContact CG-CD1 4.15Å; L267-I279 HydrophobicContact CG-CG2 3.91Å; L267-I279 VanDerWaalsContact O-CD1 3.22Å; L267-I279 WeakPolarHBondContact O-CD1 3.5Å
268L98.8Very high97.6Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-61.2-42.5174.4-67.4173000111.8A146 L148 V155 F170 L203 R225 V248 V264 A265 H270 G271 L272 I279A146-L268 HydrophobicContact CB-CD1 4.06Å; L148-L268 HydrophobicContact CD2-CD2 4.23Å; V155-L268 HydrophobicContact CG2-CD1 4.18Å; F170-L268 HydrophobicContact CZ-CD1 4.3Å; L203-L268 HydrophobicContact CD1-CD2 3.61Å; L203-L268 HydrophobicContact CD1-CG 4.37Å; R225-L268 HydrophobicContact CG-CD2 4.12Å; V248-L268 HydrophobicContact CG1-CB 3.89Å; V264-L268 HydrophobicContact CG1-CD1 4.42Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 3.02Å; A265-L268 PolarHBondContact O-N 3.09Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 2.99Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.45Å; L268-G271 PolarHBondContact O-N 3.29Å; L268-G271 VanDerWaalsContact O-N 3.11Å; L268-L272 PolarHBondContact O-N 3.23Å; L268-I279 HydrophobicContact CD2-CD1 4.47Å
269L98.4Very high97.8Very high47 Ų4758 Ų5825%0.24628%0.283CS..Hα-helixtrans-59.9-45.1176.5-17262.7000111.1V248 A265 R266 L267 G271 L272 E273V248-L269 HydrophobicContact CG1-CB 3.97Å; A265-L269 WeakPolarHBondContact O-CB 3.23Å; A265-L269 PolarHBondContact O-N 3.27Å; R266-L269 PolarHBondContact O-N 2.97Å; L267-L269 VanDerWaalsContact C-N 3.35Å; L267-L269 PolarHBondContact O-N 2.91Å; L269-G271 VanDerWaalsContact C-N 3.28Å; L269-G271 PolarHBondContact O-N 2.69Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.22Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.38Å
270H98.6Very high97.9Very high76 Ų7653.2 Ų53.235%0.35225%0.252SS..Hα-helixtrans-58.8-40.5174.1-175.366.6000112R266 L267 L268 E273 H274R266-H270 PolarHBondContact O-N 3.17Å; L267-H270 WeakPolarHBondContact O-CB 3.36Å; L267-H270 PolarHBondContact O-N 3.09Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 2.99Å; H270-E273 PolarHBondContact O-N 2.84Å; H270-H274 AromaticContact CE1-CG 3.56Å; H270-H274 AromaticContact CE1-ND1 3.45Å; H270-H274 PolarHBondContact CE1-ND1 2.97Å; H270-H274 AromaticContact CG-ND1 3.97Å; H270-H274 AromaticContact ND1-CE1 3.67Å; H270-H274 AromaticContact ND1-CG 3.74Å; H270-H274 AromaticContact ND1-ND1 3.13Å; H270-H274 PolarHBondContact ND1-ND1 3.16Å; H270-H274 VanDerWaalsContact ND1-ND1 3.13Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 2.85Å; H270-H274 PolarHBondContact O-ND1 3.25Å
271G98.4Very high98Very high1 Ų152.3 Ų52.31%0.0125%0.247CC..Hα-helixtrans-65.3-38.5174.700000114.2L267 L268 L269 E273 G275 F276L267-G271 PolarHBondContact O-N 2.8Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.45Å; L268-G271 PolarHBondContact O-N 3.29Å; L268-G271 VanDerWaalsContact O-N 3.11Å; L269-G271 VanDerWaalsContact C-N 3.28Å; L269-G271 PolarHBondContact O-N 2.69Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-G275 CarbonylContact O-C 3.24Å; G271-G275 WeakPolarHBondContact O-CA 3.32Å; G271-G275 PolarHBondContact O-N 3.34Å; G271-F276 PolarHBondContact O-N 3.27Å
272L98.3Very high97.8Very high58 Ų5853.7 Ų53.730%0.30426%0.255SS..Hα-helixtrans-63.7-40.2174.2-74.5167.7000111.8L148 E150 V248 L268 L269 F276L148-L272 HydrophobicContact CD1-CD1 4.35Å; L148-L272 HydrophobicContact CD2-CD2 4.1Å; L148-L272 HydrophobicContact CD2-CG 4.23Å; E150-L272 HydrophobicContact CB-CD2 4.39Å; V248-L272 HydrophobicContact CB-CD1 4.31Å; V248-L272 HydrophobicContact CG2-CD1 4.22Å; L268-L272 PolarHBondContact O-N 3.23Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.22Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L272-F276 HydrophobicContact CD2-CE2 4.39Å; L272-F276 HydrophobicContact CD2-CZ 3.81Å; L272-F276 HydrophobicContact CG-CZ 4.01Å
273E98.1Very high97.7Very high124 Ų12456.2 Ų56.258%0.57927%0.266SS*.Hα-helixtrans-81.9-35.6-176.1-70.3169.117500113.4L269 H270 G271L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.38Å; H270-E273 PolarHBondContact O-N 2.84Å; G271-E273 VanDerWaalsContact C-N 3.35Å
274H98Very high97.5Very high106 Ų10652.5 Ų52.549%0.49126%0.257SS..Hα-helixtrans-122.9-0.3-167.3-54.684.3000114.1H270H270-H274 AromaticContact CE1-CG 3.56Å; H270-H274 AromaticContact CE1-ND1 3.45Å; H270-H274 PolarHBondContact CE1-ND1 2.97Å; H270-H274 AromaticContact CG-ND1 3.97Å; H270-H274 AromaticContact ND1-CE1 3.67Å; H270-H274 AromaticContact ND1-CG 3.74Å; H270-H274 AromaticContact ND1-ND1 3.13Å; H270-H274 PolarHBondContact ND1-ND1 3.16Å; H270-H274 VanDerWaalsContact ND1-ND1 3.13Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 2.85Å; H270-H274 PolarHBondContact O-ND1 3.25Å
275G97.6Very high97.3Very high25 Ų2557.2 Ų57.226%0.25828%0.278SS..  trans101.1135.2-178.400000113.7G271 D277 K278G271-G275 CarbonylContact O-C 3.24Å; G271-G275 WeakPolarHBondContact O-CA 3.32Å; G271-G275 PolarHBondContact O-N 3.34Å; G275-D277 PolarHBondContact O-N 3.07Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 WeakPolarHBondContact O-CG 3.21Å; G275-K278 PolarHBondContact O-N 3.38Å
276F97.7Very high97.2Very high28 Ų2859.8 Ų59.812%0.12329%0.292CS..G310 helixtrans-66.2-21.9176.9-68.2-66.3000113.3L148 E150 G271 L272 K278 I279 D280L148-F276 HydrophobicContact CD2-CE1 3.65Å; L148-F276 HydrophobicContact CD2-CE2 4.48Å; L148-F276 HydrophobicContact CD2-CZ 3.38Å; E150-F276 HydrophobicContact CG-CE2 3.65Å; E150-F276 HydrophobicContact CG-CZ 3.93Å; E150-F276 WeakPolarHBondContact OE1-CE2 3.39Å; E150-F276 WeakPolarHBondContact OE2-CE2 3.22Å; G271-F276 PolarHBondContact O-N 3.27Å; L272-F276 HydrophobicContact CD2-CE2 4.39Å; L272-F276 HydrophobicContact CD2-CZ 3.81Å; L272-F276 HydrophobicContact CG-CZ 4.01Å; F276-K278 PolarHBondContact O-N 2.93Å; F276-I279 HydrophobicContact CD1-CD1 3.77Å; F276-I279 HydrophobicContact CD1-CG1 4.11Å; F276-I279 HydrophobicContact CE1-CD1 4.17Å; F276-I279 PolarHBondContact O-N 2.86Å; F276-D280 WeakPolarHBondContact O-CB 3.32Å; F276-D280 PolarHBondContact O-N 3.25Å
277D95.1Very high97Very high72 Ų7258.5 Ų58.539%0.38530%0.3SS..G310 helixtrans-57.2-10.4169.176-72.6000111.9G275 R300G275-D277 PolarHBondContact O-N 3.07Å; D277-R300 VanDerWaalsContact C-NH1 3.31Å; D277-R300 PolarHBondContact O-NH1 3.43Å; D277-R300 PolarHBondContact O-NH2 3.24Å
278K96.8Very high96.8Very high108 Ų10856.4 Ų56.447%0.4729%0.29SS..G310 helixtrans-89.9-24.9174.7-59.6-56.2-180-133.30115.3G275 F276 R300G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 WeakPolarHBondContact O-CG 3.21Å; G275-K278 PolarHBondContact O-N 3.38Å; F276-K278 PolarHBondContact O-N 2.93Å; K278-R300 VanDerWaalsContact CA-NH2 3.27Å; K278-R300 PolarHBondContact O-NH2 3.44Å
279I97.6Very high96.3Very high13 Ų1361.6 Ų61.67%0.06732%0.322CS..THydrogen-bonded Turntrans-118.6-20.3-170.469.8171.2000113.5L203 L267 L268 F276L203-I279 HydrophobicContact CD2-CD1 3.83Å; L203-I279 HydrophobicContact CD2-CG1 4Å; L267-I279 HydrophobicContact CD1-CB 3.79Å; L267-I279 HydrophobicContact CD1-CG2 3.46Å; L267-I279 VanDerWaalsContact CD1-CG2 3.46Å; L267-I279 HydrophobicContact CD2-CB 4.41Å; L267-I279 HydrophobicContact CG-CB 3.87Å; L267-I279 HydrophobicContact CG-CD1 4.15Å; L267-I279 HydrophobicContact CG-CG2 3.91Å; L267-I279 VanDerWaalsContact O-CD1 3.22Å; L267-I279 WeakPolarHBondContact O-CD1 3.5Å; L268-I279 HydrophobicContact CD2-CD1 4.47Å; F276-I279 HydrophobicContact CD1-CD1 3.77Å; F276-I279 HydrophobicContact CD1-CG1 4.11Å; F276-I279 HydrophobicContact CE1-CD1 4.17Å; F276-I279 PolarHBondContact O-N 2.86Å
280D98Very high95.5Very high15 Ų1568 Ų688%0.0834%0.344CS..  trans-74.1135.7-176.2-76.2-12.4000111.9S201 R225 F276 R300S201-D280 WeakPolarHBondContact CB-OD1 3.23Å; S201-D280 PolarHBondContact OG-OD1 3.27Å; R225-D280 IonicContact CZ-OD1 3.75Å; R225-D280 IonicContact CZ-OD2 2.85Å; R225-D280 IonicContact NE-OD1 3.84Å; R225-D280 PolarHBondContact NE-OD1 3.46Å; R225-D280 IonicContact NE-OD2 3.74Å; R225-D280 PolarHBondContact NE-OD2 3.31Å; R225-D280 IonicContact NH2-OD1 2.86Å; R225-D280 IonicContact NH2-OD2 3.44Å; R225-D280 PolarHBondContact NH2-OD2 2.85Å; F276-D280 WeakPolarHBondContact O-CB 3.32Å; F276-D280 PolarHBondContact O-N 3.25Å; D280-R300 PolarHBondContact O-NH1 3.31Å
281L98.1Very high94.8Very high49 Ų4967.9 Ų67.926%0.25735%0.352SS..EExtended strand (participates in β ladder)trans-99.2109.9157-54.2175.1000107.5L202 H299L202-L281 HydrophobicContact CB-CB 4.14Å; L202-L281 HydrophobicContact CD2-CD1 4.16Å; L202-L281 HydrophobicContact CG-CD1 4.37Å; L202-L281 PolarHBondContact N-O 3.36Å; L202-L281 VanDerWaalsContact O-CB 3.32Å; L202-L281 WeakPolarHBondContact O-CB 3.32Å; L202-L281 PolarHBondContact O-N 3.21Å; L281-H299 CarbonylContact C-O 3.49Å; L281-H299 VanDerWaalsContact CA-O 3.29Å; L281-H299 WeakPolarHBondContact CA-O 3.44Å
282T94.4Very high94.3Very high35 Ų3571.5 Ų71.522%0.21539%0.389CS..EExtended strand (participates in β ladder)trans-73.2155.7178.649.60000111.1Y298 H299 Q301T282-Y298 CarbonylContact O-C 3.52Å; T282-Y298 VanDerWaalsContact O-CA 3.28Å; T282-Y298 WeakPolarHBondContact O-CA 3.24Å; T282-H299 PolarHBondContact N-O 3.48Å; T282-H299 PolarHBondContact O-N 2.96Å; T282-H299 PolarHBondContact OG1-O 3.18Å; T282-H299 VanDerWaalsContact OG1-O 3.1Å; T282-Q301 HydrophobicContact CG2-CB 3.83Å; T282-Q301 HydrophobicContact CG2-CG 4.2Å
283M95.3Very high94Very high62 Ų6274.9 Ų74.931%0.30541%0.405SS..EExtended strand (participates in β ladder)trans-112128.8175.5-174.5-79.5-65.400109.6F199 E285 Q296 L297 Y298F199-M283 HydrophobicContact CE1-CB 4.23Å; M283-E285 HydrophobicContact CE-CG 4.36Å; M283-E285 HydrophobicContact SD-CG 3.85Å; M283-Q296 HydrophobicContact CG-CB 3.96Å; M283-Q296 HydrophobicContact CG-CG 4.46Å; M283-Q296 HydrophobicContact SD-CB 4.01Å; M283-Q296 HydrophobicContact SD-CG 4.01Å; M283-L297 WeakPolarHBondContact CA-O 3.49Å; M283-Y298 HydrophobicContact CB-CD1 3.85Å; M283-Y298 HydrophobicContact CB-CE1 3.59Å; M283-Y298 HydrophobicContact CG-CD1 4.12Å; M283-Y298 HydrophobicContact CG-CD2 4.5Å; M283-Y298 HydrophobicContact CG-CE1 3.61Å; M283-Y298 HydrophobicContact CG-CE2 4.02Å
284E94.2Very high93.7Very high99 Ų9974.1 Ų74.146%0.46340%0.404SS..EExtended strand (participates in β ladder)trans-118.7137.1170.8-175.6176.8-170.400109.9L286 L297 H299E284-L286 HydrophobicContact CG-CD2 4.07Å; E284-L286 HydrophobicContact CG-CG 4.23Å; E284-L297 PolarHBondContact N-O 3.28Å; E284-L297 PolarHBondContact O-N 3.04Å; E284-H299 IonicContact OE2-NE2 2.89Å
285E95.2Very high93.5Very high102 Ų10274.5 Ų74.548%0.47740%0.402SS..EExtended strand (participates in β ladder)trans-87.7126.3171.4-69.3-168.8160.300110.6M283 Y295 Q296M283-E285 HydrophobicContact CE-CG 4.36Å; M283-E285 HydrophobicContact SD-CG 3.85Å; E285-Y295 VanDerWaalsContact CA-O 3.29Å; E285-Y295 WeakPolarHBondContact CA-O 3.47Å; E285-Q296 HydrophobicContact CG-CG 4.49Å
286L94.8Very high93.4Very high54 Ų5475.6 Ų75.628%0.28340%0.401SS..EExtended strand (participates in β ladder)trans-126.9144.5-178.7-65.7174.5000110.8E284 A288 L294 Y295 L297E284-L286 HydrophobicContact CG-CD2 4.07Å; E284-L286 HydrophobicContact CG-CG 4.23Å; L286-A288 PolarHBondContact O-N 3.2Å; L286-L294 CarbonylContact O-C 3.6Å; L286-L294 WeakPolarHBondContact O-CA 3.44Å; L286-Y295 PolarHBondContact N-O 3.35Å; L286-Y295 PolarHBondContact O-N 2.92Å; L286-L297 HydrophobicContact CD1-CB 4.05Å; L286-L297 HydrophobicContact CD1-CD2 3.62Å; L286-L297 HydrophobicContact CD1-CG 4.46Å
287P95.8Very high93.4Very high100 Ų10078.2 Ų78.265%0.64942%0.415SS*.EExtended strand (participates in β ladder)trans-68.1134.9177.728.2-34.1000111.6
288A92.9Very high93.5Very high10 Ų1077 Ų778%0.08341%0.406CS..  trans-75.9136.517300000111.4L286 Y290 S291 M293 Y295L286-A288 PolarHBondContact O-N 3.2Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.24Å; A288-S291 VanDerWaalsContact CB-OG 3.29Å; A288-S291 WeakPolarHBondContact CB-OG 3.46Å; A288-M293 HydrophobicContact CB-CB 4.37Å; A288-M293 WeakPolarHBondContact CB-O 2.97Å; A288-M293 PolarHBondContact N-O 3.17Å; A288-Y295 VanDerWaalsContact CA-CE2 3.43Å; A288-Y295 HydrophobicContact CB-CD1 4.31Å; A288-Y295 HydrophobicContact CB-CD2 4.28Å; A288-Y295 HydrophobicContact CB-CE1 3.81Å; A288-Y295 HydrophobicContact CB-CE2 3.8Å
289V89.6Confident93.4Very high110 Ų11074 Ų7467%0.66739%0.394SS*.THydrogen-bonded Turntrans-67.7-33.2-172.8-177.40000112.6
290Y81.3Confident93.3Very high180 Ų18078.1 Ų78.171%0.70641%0.408SS*.THydrogen-bonded Turntrans-120-13.6-166-60.7-65.2000115.7A288A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.24Å
291S84.4Confident92.9Very high75 Ų7582.7 Ų82.752%0.52443%0.429SS..THydrogen-bonded Turntrans-115.7-9-17156.90000114A288 M293A288-S291 VanDerWaalsContact CB-OG 3.29Å; A288-S291 WeakPolarHBondContact CB-OG 3.46Å; S291-M293 PolarHBondContact O-N 3.39Å; S291-M293 WeakPolarHBondContact OG-CB 3.28Å; S291-M293 PolarHBondContact OG-N 3.33Å
292G87.4Confident92.3Very high77 Ų7786.3 Ų86.379%0.79445%0.448SS*.SBendtrans66.18.5-170.200000113.8
293M91.1Very high91.8Very high129 Ų12990.3 Ų90.364%0.63548%0.475SS*.  trans-88.9-179.1176.5-57.9-63.8-69.900110.8A288 S291A288-M293 HydrophobicContact CB-CB 4.37Å; A288-M293 WeakPolarHBondContact CB-O 2.97Å; A288-M293 PolarHBondContact N-O 3.17Å; S291-M293 PolarHBondContact O-N 3.39Å; S291-M293 WeakPolarHBondContact OG-CB 3.28Å; S291-M293 PolarHBondContact OG-N 3.33Å
294L93.4Very high91Very high107 Ų10792 Ų9256%0.5650%0.499SS*.EExtended strand (participates in β ladder)trans-108.6147.4172.4-59.6174.9000110.6L286L286-L294 CarbonylContact O-C 3.6Å; L286-L294 WeakPolarHBondContact O-CA 3.44Å
295Y93.9Very high90Very high115 Ų11597.3 Ų97.345%0.45152%0.52SS..EExtended strand (participates in β ladder)trans-94.2143162.9-59.9-50.8000109.4E285 L286 A288E285-Y295 VanDerWaalsContact CA-O 3.29Å; E285-Y295 WeakPolarHBondContact CA-O 3.47Å; L286-Y295 PolarHBondContact N-O 3.35Å; L286-Y295 PolarHBondContact O-N 2.92Å; A288-Y295 VanDerWaalsContact CA-CE2 3.43Å; A288-Y295 HydrophobicContact CB-CD1 4.31Å; A288-Y295 HydrophobicContact CB-CD2 4.28Å; A288-Y295 HydrophobicContact CB-CE1 3.81Å; A288-Y295 HydrophobicContact CB-CE2 3.8Å
296Q95.3Very high87.7Confident48 Ų48101.5 Ų101.522%0.22456%0.56CS.*EExtended strand (participates in β ladder)trans-98.4106.1160.2-63.9-164.5-52.700108.3N180 M283 E285 Y298N180-Q296 VanDerWaalsContact CB-OE1 3.27Å; N180-Q296 VanDerWaalsContact CG-CD 3.46Å; N180-Q296 VanDerWaalsContact CG-OE1 3.22Å; N180-Q296 PolarHBondContact ND2-NE2 2.67Å; N180-Q296 PolarHBondContact OD1-OE1 3.17Å; M283-Q296 HydrophobicContact CG-CB 3.96Å; M283-Q296 HydrophobicContact CG-CG 4.46Å; M283-Q296 HydrophobicContact SD-CB 4.01Å; M283-Q296 HydrophobicContact SD-CG 4.01Å; E285-Q296 HydrophobicContact CG-CG 4.49Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 WeakPolarHBondContact O-CD2 3.07Å; Q296-Y298 PolarHBondContact OE1-OH 3.01Å
297L96.3Very high87.3Confident82 Ų82103.9 Ų103.943%0.42957%0.574SS.*EExtended strand (participates in β ladder)trans-94.8117.1-179.2-171.668.2000109.9M283 E284 L286M283-L297 WeakPolarHBondContact CA-O 3.49Å; E284-L297 PolarHBondContact N-O 3.28Å; E284-L297 PolarHBondContact O-N 3.04Å; L286-L297 HydrophobicContact CD1-CB 4.05Å; L286-L297 HydrophobicContact CD1-CD2 3.62Å; L286-L297 HydrophobicContact CD1-CG 4.46Å
298Y97Very high86.9Confident47 Ų47104.1 Ų104.118%0.18457%0.57CS.*EExtended strand (participates in β ladder)trans-99.8121.4177.8-64-95.1000110.3I181 F199 L202 T282 M283 Q296I181-Y298 HydrophobicContact CD1-CD2 4.32Å; I181-Y298 HydrophobicContact CD1-CE2 3.57Å; F199-Y298 AromaticContact CZ-CE1 3.96Å; F199-Y298 HydrophobicContact CZ-CE1 3.96Å; L202-Y298 HydrophobicContact CB-CD1 3.69Å; L202-Y298 HydrophobicContact CB-CE1 4.19Å; L202-Y298 HydrophobicContact CD2-CD1 4.05Å; L202-Y298 HydrophobicContact CD2-CG 4.13Å; L202-Y298 HydrophobicContact CG-CD1 4.49Å; T282-Y298 CarbonylContact O-C 3.52Å; T282-Y298 VanDerWaalsContact O-CA 3.28Å; T282-Y298 WeakPolarHBondContact O-CA 3.24Å; M283-Y298 HydrophobicContact CB-CD1 3.85Å; M283-Y298 HydrophobicContact CB-CE1 3.59Å; M283-Y298 HydrophobicContact CG-CD1 4.12Å; M283-Y298 HydrophobicContact CG-CD2 4.5Å; M283-Y298 HydrophobicContact CG-CE1 3.61Å; M283-Y298 HydrophobicContact CG-CE2 4.02Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 WeakPolarHBondContact O-CD2 3.07Å; Q296-Y298 PolarHBondContact OE1-OH 3.01Å
299H96.4Very high86.5Confident46 Ų46109.3 Ų109.321%0.21360%0.597CS.*EExtended strand (participates in β ladder)trans-156.1169.4-179.562.590.3000111.5L281 T282 E284 Q301L281-H299 CarbonylContact C-O 3.49Å; L281-H299 VanDerWaalsContact CA-O 3.29Å; L281-H299 WeakPolarHBondContact CA-O 3.44Å; T282-H299 PolarHBondContact N-O 3.48Å; T282-H299 PolarHBondContact O-N 2.96Å; T282-H299 PolarHBondContact OG1-O 3.18Å; T282-H299 VanDerWaalsContact OG1-O 3.1Å; E284-H299 IonicContact OE2-NE2 2.89Å; H299-Q301 PolarHBondContact O-N 3.17Å
300R95.4Very high86.4Confident98 Ų98109.2 Ų109.237%0.3759%0.593SS.*EExtended strand (participates in β ladder)trans-60.6135.8172.3-165.667.1170.8104.526.6110.3D277 K278 D280 L302D277-R300 VanDerWaalsContact C-NH1 3.31Å; D277-R300 PolarHBondContact O-NH1 3.43Å; D277-R300 PolarHBondContact O-NH2 3.24Å; K278-R300 VanDerWaalsContact CA-NH2 3.27Å; K278-R300 PolarHBondContact O-NH2 3.44Å; D280-R300 PolarHBondContact O-NH1 3.31Å; R300-L302 PolarHBondContact O-N 2.78Å; R300-L302 VanDerWaalsContact O-N 3.12Å
301Q88.9Confident86.7Confident112 Ų112104.8 Ų104.852%0.52359%0.586SS.*PPolyproline II helixtrans-53.1124175.8-171.3174.73.800109.9T282 H299T282-Q301 HydrophobicContact CG2-CB 3.83Å; T282-Q301 HydrophobicContact CG2-CG 4.2Å; H299-Q301 PolarHBondContact O-N 3.17Å
302L85.9Confident86.8Confident125 Ų125106.8 Ų106.865%0.65459%0.59SS**PPolyproline II helixtrans-83.6141.3174.1-64.8175.6000108.6R300 A304R300-L302 PolarHBondContact O-N 2.78Å; R300-L302 VanDerWaalsContact O-N 3.12Å; L302-A304 PolarHBondContact O-N 3.44Å
303P83.4Confident86.8Confident119 Ų119108.9 Ų108.977%0.77358%0.576SS**PPolyproline II helixtrans-53.2139.3168.1-2232.4000109.6K305P303-K305 PolarHBondContact O-N 2.81Å
304A79.4Confident86.5Confident98 Ų98107.4 Ų107.481%0.8157%0.571SS**PPolyproline II helixtrans-54.6134.4171.600000108.6L302 S306L302-A304 PolarHBondContact O-N 3.44Å; A304-S306 PolarHBondContact O-N 3.12Å
305K71.9Confident85.9Confident210 Ų210107.4 Ų107.491%0.91357%0.572SS**  trans-60.9115.3171.9-73.6-177.5177.3177.40107.3P303P303-K305 PolarHBondContact O-N 2.81Å
306S46.7Very low85.1Confident189 Ų189106.7 Ų106.7100%1.32258%0.583SS**  trans-63.80168.856.80000111.1A304A304-S306 PolarHBondContact O-N 3.12Å

Retrieved 306 of 306 residues in 367.1 ms (Link to these results)