A0A093GXF5_STRCA Loading...

Cadherin-20

Cadherins are calcium-dependent cell adhesion proteins. They preferentially interact with themselves in a homophilic manner in connecting cells; cadherins may thus contribute to the sorting of heterogeneous cell types.

AlphaFold DB , UniProt , Accession A0A093GXF5, Species STRCA (Struthio camelus australis), Gene n/a, Length 798 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low29.4Very low232 Ų232156.7 Ų156.7100%1.14384%0.841SS**  089.20-76.7162.892.900106.1
2W28.3Very low29.4Very low233 Ų233155.8 Ų155.888%0.88384%0.836SS**  7087.995.6-85.558.1000110.5
3T31Very low29.3Very low120 Ų120154.2 Ų154.274%0.73683%0.826SS**  86.4142.384.750.30000110.5
4A31.1Very low29.2Very low99 Ų99155 Ų15582%0.81883%0.829SS**  cis-163.5165.27.600000105.2
5G28Very low29Very low70 Ų70149.1 Ų149.172%0.72282%0.82SS**  cis117.7116.522.500000110.8
6R28.5Very low29Very low251 Ų251151.6 Ų151.695%0.94783%0.83SS**  trans89.1128.4141.2-96179178.7174.2-0.7123.6
7M27.8Very low29Very low177 Ų177147.4 Ų147.487%0.87283%0.83SS**  trans-38152.3144.2-62.7157.464.300115.4
8S28.8Very low29Very low103 Ų103146.6 Ų146.672%0.7283%0.829SS**  179.6128.4124.2-1720000114.1
9N27.9Very low29.1Very low146 Ų146144.6 Ų144.678%0.78183%0.825SS**  trans39.3123.5136.6-61.6-26.5000124.5
10A29.3Very low29.2Very low92 Ų92144.7 Ų144.776%0.7682%0.822SS**  25.3129123.200000122.4
11K29Very low29.3Very low201 Ų201148.4 Ų148.487%0.87483%0.825SS**  -179.6129.5118.9-99.1172.7-177-179.20112.7
12N28.8Very low29Very low146 Ų146145.7 Ų145.778%0.78181%0.807SS**  trans21.2144.2135.8-72.4-4.4000119.8
13L27.7Very low29.1Very low134 Ų134146.8 Ų146.870%0.70281%0.811SS**  cis-173.2158.529.9-148.581.7000109.8
14L28.4Very low29.1Very low166 Ų166144.1 Ų144.187%0.86981%0.807SS**  trans77.5124.2152.9-77.6161.5000122.5
15G26.6Very low29.1Very low67 Ų67147.9 Ų147.969%0.69181%0.812SS**  trans154.175.814900000117.5
16L28.8Very low29.1Very low189 Ų189153.4 Ų153.499%0.9982%0.822SS**  trans43.8124141.6-75.4149.8000121.3
17G28.6Very low29.2Very low80 Ų80149 Ų14983%0.82582%0.817SS**  trans161.775.815600000114.4
18V29.5Very low29.2Very low133 Ų133148.4 Ų148.481%0.80682%0.816SS**  trans-98.5132.5169.9174.70000108.9
19S30.6Very low29.3Very low108 Ų108150 Ų15076%0.75582%0.822SS**  trans-143.5108155-169.90000109.2
20L31.9Very low29.4Very low146 Ų146149.3 Ų149.376%0.76482%0.823SS**  trans-97.8137.3166-86154.4000107.8
21Y30.3Very low29.4Very low224 Ų224151.7 Ų151.788%0.87883%0.829SS**  trans-94.3127.1160.7-96.3-86.4000109
22F28.8Very low29.4Very low175 Ų175148.8 Ų148.877%0.76883%0.827SS**  trans-120161.7171.3-129.8-91.5000107.3
23W31.1Very low29.4Very low256 Ų256149.7 Ų149.797%0.9783%0.831SS**  trans168.3127.8141.8-93.538000105.4
24G30.8Very low29.4Very low64 Ų64148.6 Ų148.666%0.6684%0.835SS**  cis138.4102.48.700000108.9
25L29.6Very low29.4Very low177 Ų177144.5 Ų144.593%0.92783%0.833SS**  trans-66.8148.9165.1-94.9102000110.4
26M29.2Very low29.4Very low187 Ų187147.2 Ų147.292%0.92184%0.841SS**  trans-121.9124.3163.9-88.7-151.915800111.5
27D29.3Very low29.4Very low157 Ų157143 Ų14384%0.8483%0.834SS**  trans-83.7147.2158.2-82.5-40.7000110.3
28L28.9Very low29.6Very low165 Ų165150.9 Ų150.986%0.86484%0.838SS**  trans-108.7112.3172-91.7153.3000110
29T30.3Very low29.6Very low136 Ų136150.3 Ų150.383%0.83484%0.838SS**  trans-118.1129.6158.1490000108.1
30T30Very low29.6Very low133 Ų133153.9 Ų153.982%0.81685%0.847SS**  trans-110.1116177.245.20000110
31T29.8Very low29.4Very low142 Ų142151.9 Ų151.987%0.87185%0.846SS**  trans-100.1145.1166.235.70000111.6
32V28Very low29.4Very low139 Ų139150.5 Ų150.584%0.84285%0.847SS**  trans-52.6136177.2173.30000113.4
33L30Very low29.4Very low166 Ų166153.5 Ų153.587%0.86985%0.853SS**  trans-138.7144.2151-102.3166.9000111.1
34S26.5Very low29.4Very low110 Ų110149.7 Ų149.777%0.76985%0.846SS**  trans-72.8139.7-168.7510000113.8
35G28.7Very low29.6Very low80 Ų80155.5 Ų155.583%0.82586%0.856SS**  trans-142.192.3165.600000109.1
36S26.8Very low29.7Very low124 Ų124154 Ų15487%0.86785%0.85SS**  trans-79.2119.7172.663.40000110.2
37A29.6Very low29.9Very low101 Ų101153 Ų15384%0.83584%0.842SS**  trans-125.3115.6156.700000108
38R31.4Very low30.2Very low245 Ų245153.1 Ų153.193%0.92584%0.842SS**PPolyproline II helixtrans-72.9157.6175.6-89.9-178.7178.5174.7-0.2111
39P30.3Very low30.3Very low122 Ų122150.3 Ų150.379%0.79284%0.836SS**PPolyproline II helixtrans-84.8144.3-167.634.4-32.9000111.9
40L30.3Very low30.7Very low182 Ų182151.9 Ų151.995%0.95384%0.839SS**PPolyproline II helixtrans-90121.1159.6-89.5158.5000108.4
41S27.4Very low31.2Very low105 Ų105154.2 Ų154.273%0.73484%0.838SS**PPolyproline II helixtrans-78.2117.5171.9137.30000108.7
42E30.9Very low31.6Very low195 Ų195156.7 Ų156.791%0.91184%0.84SS**  trans-121.6112.8149.6-87.9-178.2163.100108.3
43R29.6Very low32Very low237 Ų237158.6 Ų158.689%0.89484%0.839SS**  trans-71.3123164.2-78.7178.9179.3172.5-1.5107.4
44Q29.6Very low32.3Very low177 Ų177159.9 Ų159.983%0.82784%0.841SS**  trans-144.6101.6148.9-148.5150.3-5.500108D46Q44-D46 PolarHBondContact O-N 2.78Å
45E35.4Very low32.8Very low185 Ų185166.1 Ų166.186%0.86485%0.847SS**  trans-63.2123.5158.7-74.6174.2154.500106.8
46D31.4Very low33.3Very low147 Ų147171 Ų17179%0.78685%0.851SS**  trans-156.3143.8147.4-103.2-28.6000111.6Q44Q44-D46 PolarHBondContact O-N 2.78Å
47H32.8Very low34.2Very low166 Ų166172.8 Ų172.877%0.76984%0.843SS**  trans-75.6148.5-159.3-87.4-82.6000116.5
48L35.7Very low35.2Very low158 Ų158179 Ų17983%0.82785%0.845SS**  trans53.1111.7140-75.9148.1000120
49S32.8Very low36.1Very low107 Ų107172.8 Ų172.875%0.74884%0.839SS**  -173.9128.3114.668.30000111.6K51S49-K51 PolarHBondContact O-N 2.89Å
50D38.7Very low37.1Very low168 Ų168177.3 Ų177.390%0.89884%0.84SS**  trans-54.4124.1174.2-105.4-35.9000113
51K39.3Very low38.2Very low182 Ų182174.2 Ų174.279%0.79183%0.829SS**  trans-125.7108.7156.6-84.2-172.4179.2178.30108.9S49 H53S49-K51 PolarHBondContact O-N 2.89Å; K51-H53 PolarHBondContact O-N 2.73Å
52Q37.6Very low39.7Very low195 Ų195179.4 Ų179.491%0.91183%0.833SS**  trans-68.9110.9-179.9-152.8174.46.500109.9
53H37.2Very low41.5Very low179 Ų179172.8 Ų172.883%0.82980%0.803SS**PPolyproline II helixtrans-85117.9165.8-79.7-111000108.9K51K51-H53 PolarHBondContact O-N 2.73Å
54Q36.6Very low44.1Very low193 Ų193165.7 Ų165.790%0.90278%0.78SS**PPolyproline II helixtrans-79.3120.5176.6-160.5170.67.500110
55R35.8Very low46.8Very low240 Ų240159.4 Ų159.491%0.90675%0.75SS**PPolyproline II helixtrans-80.6119.3176.7-148.5-176.8-155.1-155.36.3108.5
56M41.1Very low49.3Very low183 Ų183155.2 Ų155.290%0.90173%0.729SS**PPolyproline II helixtrans-71.4130.3166.6-72.5-168.6-176.300109.4
57K45.6Very low52Low161 Ų161148.5 Ų148.570%0.769%0.694SS**PPolyproline II helixtrans-68.6130.1179.8-147.9179.5-176.2-171.70108.2D85K57-D85 IonicContact NZ-OD2 2.78Å; K57-D85 PolarHBondContact NZ-OD2 2.72Å
58R49.6Very low54.5Low232 Ų232144.9 Ų144.988%0.87568%0.679SS**PPolyproline II helixtrans-71.1130170.5-63.7-177-179.1-154.5-1.2107.8W60R58-W60 PolarHBondContact O-N 2.97Å
59S50.6Low56.9Low114 Ų114137.4 Ų137.480%0.79764%0.64SS**PPolyproline II helixtrans-65.3127.8172.219.10000109.5
60W50.3Low58.9Low217 Ų217135.7 Ų135.782%0.82262%0.62SS**PPolyproline II helixtrans-74.5130.9166.8-73.788.4000108.1R58R58-W60 PolarHBondContact O-N 2.97Å
61V53.3Low60.3Low117 Ų117132.7 Ų132.771%0.70960%0.597SS**  trans-98.986.1174.9-176.70000107.6N63V61-N63 WeakPolarHBondContact CA-OD1 3.33Å
62W59.3Low61.2Low215 Ų215129.5 Ų129.581%0.81459%0.593SS**  trans-125.285.2164-79.889.8000106.6
63N68.4Low62.5Low55 Ų55121.9 Ų121.929%0.29457%0.568SS.*  trans-119.937.7-165-60.423.7000110.4V61 E149 F150 I151V61-N63 WeakPolarHBondContact CA-OD1 3.33Å; N63-E149 WeakPolarHBondContact CB-O 3.37Å; N63-E149 PolarHBondContact ND2-O 3.06Å; N63-F150 HydrophobicContact CB-CB 4.08Å; N63-F150 CarbonylContact O-C 3.6Å; N63-F150 WeakPolarHBondContact O-CA 3.15Å; N63-I151 PolarHBondContact O-N 3.45Å
64Q84.3Confident63.9Low89 Ų89120.2 Ų120.242%0.41657%0.57SS.*EExtended strand (participates in β ladder)trans-140.6132.3172.967.6-174.38.200113.4F66 I151Q64-F66 HydrophobicContact CG-CE2 3.89Å; Q64-F66 HydrophobicContact CG-CZ 4.08Å; Q64-I151 CarbonylContact C-O 3.54Å; Q64-I151 WeakPolarHBondContact CA-O 3.43Å
65F87.4Confident65.9Low44 Ų44116.6 Ų116.619%0.19356%0.557CS.*EExtended strand (participates in β ladder)trans-106.2152.2164.8-63.9-76.1000109.3V79 L82 I115 F150 I151 I152 K153F65-V79 HydrophobicContact CB-CG1 3.72Å; F65-V79 HydrophobicContact CG-CG1 4.1Å; F65-L82 HydrophobicContact CE2-CD2 4.06Å; F65-L82 HydrophobicContact CZ-CD2 3.85Å; F65-L82 HydrophobicContact CZ-CG 4.47Å; F65-I115 HydrophobicContact CE2-CD1 4.12Å; F65-F150 AromaticContact CD2-CD2 3.44Å; F65-F150 HydrophobicContact CD2-CD2 3.44Å; F65-F150 VanDerWaalsContact CD2-CD2 3.44Å; F65-F150 AromaticContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CG 4.38Å; F65-F150 AromaticContact CE2-CD2 3.59Å; F65-F150 HydrophobicContact CE2-CD2 3.59Å; F65-F150 AromaticContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CG 4.17Å; F65-F150 HydrophobicContact CE2-CZ 4.32Å; F65-I151 PolarHBondContact N-O 2.82Å; F65-I152 HydrophobicContact CB-CG1 4.34Å; F65-K153 PolarHBondContact O-N 2.85Å
66F86.9Confident68Low97 Ų97108.5 Ų108.543%0.42554%0.535SS..EExtended strand (participates in β ladder)trans-118.6132.4176.7-65.7-83.5000109.3Q64 K153 Q155Q64-F66 HydrophobicContact CG-CE2 3.89Å; Q64-F66 HydrophobicContact CG-CZ 4.08Å; F66-K153 WeakPolarHBondContact CA-O 3.3Å; F66-K153 HydrophobicContact CD1-CB 3.83Å; F66-K153 HydrophobicContact CE1-CB 3.93Å; F66-K153 HydrophobicContact CE1-CD 3.88Å; F66-K153 HydrophobicContact CE1-CG 4.45Å; F66-K153 HydrophobicContact CZ-CD 4.48Å; F66-Q155 HydrophobicContact CB-CG 4.12Å; F66-Q155 HydrophobicContact CD1-CG 4.1Å
67V88.7Confident70.1Confident7 Ų7101.5 Ų101.54%0.04250%0.501CS..EExtended strand (participates in β ladder)trans-135.3130.6-178.8-173.70000108L77 V79 L121 I152 K153 I154 Q155V67-L77 HydrophobicContact CG1-CD2 3.32Å; V67-L77 HydrophobicContact CG1-CG 4.26Å; V67-V79 HydrophobicContact CG1-CG2 4.47Å; V67-V79 HydrophobicContact CG2-CB 3.92Å; V67-V79 HydrophobicContact CG2-CG1 3.43Å; V67-V79 VanDerWaalsContact CG2-CG1 3.43Å; V67-V79 HydrophobicContact CG2-CG2 3.62Å; V67-L121 HydrophobicContact CB-CD1 4.16Å; V67-L121 HydrophobicContact CG1-CD1 3.57Å; V67-I152 HydrophobicContact CB-CG2 4.3Å; V67-I152 HydrophobicContact CG2-CG2 3.61Å; V67-K153 PolarHBondContact N-O 3.08Å; V67-I154 CarbonylContact O-C 3.55Å; V67-I154 VanDerWaalsContact O-CA 3.27Å; V67-I154 WeakPolarHBondContact O-CA 3.19Å; V67-Q155 PolarHBondContact O-N 2.88Å
68L84.8Confident72.1Confident89 Ų8999.6 Ų99.647%0.46649%0.491SS..EExtended strand (participates in β ladder)trans-70.8143174-70.9163.9000110.1Q155 I157L68-Q155 HydrophobicContact CD2-CB 3.7Å; L68-Q155 HydrophobicContact CG-CB 4.39Å; L68-I157 HydrophobicContact CB-CD1 4.44Å; L68-I157 HydrophobicContact CD2-CG1 4.36Å
69E87.4Confident73.9Confident1 Ų189.3 Ų89.31%0.00545%0.453CS..SBendtrans-70.8171.7171.477.1-170.2132.900113.1Y71 L121 R123 I154 Q155 D156 I157E69-Y71 VanDerWaalsContact C-N 3.25Å; E69-Y71 PolarHBondContact O-N 2.9Å; E69-L121 WeakPolarHBondContact CA-O 3.43Å; E69-L121 WeakPolarHBondContact CB-O 3.34Å; E69-R123 WeakPolarHBondContact OE2-CB 3.45Å; E69-R123 PolarHBondContact OE2-N 2.85Å; E69-I154 HydrophobicContact CB-CG2 3.68Å; E69-Q155 PolarHBondContact N-O 2.85Å; E69-Q155 VanDerWaalsContact N-O 3.16Å; E69-D156 WeakPolarHBondContact OE1-CA 3.33Å; E69-I157 HydrophobicContact CG-CB 3.91Å; E69-I157 HydrophobicContact CG-CD1 3.99Å; E69-I157 HydrophobicContact CG-CG1 3.91Å; E69-I157 WeakPolarHBondContact O-CD1 3.26Å; E69-I157 PolarHBondContact OE1-N 3.31Å
70E73.6Confident75.7Confident71 Ų7184.2 Ų84.233%0.33242%0.419SS..  trans49.438.3172-79.5-68.2171.400115.6T72 L121E70-T72 PolarHBondContact O-N 2.77Å; E70-T72 VanDerWaalsContact O-N 3.14Å; E70-L121 PolarHBondContact N-O 2.85Å
71Y67.9Low77.5Confident105 Ų10578.6 Ų78.641%0.41240%0.4SS..  trans-64.7117.9170.6-177.8-103.5000111E69 D75 L77E69-Y71 VanDerWaalsContact C-N 3.25Å; E69-Y71 PolarHBondContact O-N 2.9Å; Y71-D75 WeakPolarHBondContact CE1-O 3.48Å; Y71-L77 HydrophobicContact CD1-CB 3.82Å; Y71-L77 HydrophobicContact CD1-CD1 4.14Å; Y71-L77 HydrophobicContact CD1-CD2 4.48Å; Y71-L77 HydrophobicContact CD1-CG 4.38Å; Y71-L77 HydrophobicContact CD2-CD1 3.76Å; Y71-L77 HydrophobicContact CE1-CB 4.19Å; Y71-L77 HydrophobicContact CE1-CD1 4.3Å; Y71-L77 HydrophobicContact CE2-CD1 3.95Å; Y71-L77 HydrophobicContact CG-CB 4.18Å; Y71-L77 HydrophobicContact CG-CD1 3.86Å; Y71-L77 HydrophobicContact CG-CD2 4.03Å; Y71-L77 HydrophobicContact CG-CG 4.25Å
72T59.6Low79.1Confident115 Ų11574.9 Ų74.971%0.70638%0.376SS*.  trans-92.47.2-173.850.20000114.5E70E70-T72 PolarHBondContact O-N 2.77Å; E70-T72 VanDerWaalsContact O-N 3.14Å
73G64.8Low80.4Confident36 Ų3670.7 Ų70.737%0.37137%0.365SS..  trans-72.8156.5178.500000113.4
74T66.5Low81.1Confident143 Ų14368.4 Ų68.488%0.87735%0.354SS*.SBendtrans-85.5-17.1173.2500000112.7
75D77.4Confident81Confident117 Ų11769.2 Ų69.263%0.62636%0.361SS*.SBendtrans-87.2146.3176.3-64.2-43000110.7Y71 L77Y71-D75 WeakPolarHBondContact CE1-O 3.48Å; D75-L77 PolarHBondContact O-N 3.22Å
76P80.4Confident80.7Confident70 Ų7071.7 Ų71.746%0.45537%0.374SS..PPolyproline II helixtrans-54.8130.5173.1-24.534.1000111.7Y78 H116 A117 I118P76-Y78 PolarHBondContact O-N 3.02Å; P76-H116 HydrophobicContact CB-CB 3.65Å; P76-A117 CarbonylContact C-O 3.55Å; P76-A117 WeakPolarHBondContact CA-O 3.34Å; P76-I118 HydrophobicContact CB-CG2 4.01Å; P76-I118 HydrophobicContact CG-CG2 4.22Å
77L85.6Confident80.4Confident36 Ų3668.1 Ų68.119%0.18836%0.36CS..EExtended strand (participates in β ladder)trans-74.7117.4-177.8175.664.7000110.2V67 Y71 D75 V79 H116 A117V67-L77 HydrophobicContact CG1-CD2 3.32Å; V67-L77 HydrophobicContact CG1-CG 4.26Å; Y71-L77 HydrophobicContact CD1-CB 3.82Å; Y71-L77 HydrophobicContact CD1-CD1 4.14Å; Y71-L77 HydrophobicContact CD1-CD2 4.48Å; Y71-L77 HydrophobicContact CD1-CG 4.38Å; Y71-L77 HydrophobicContact CD2-CD1 3.76Å; Y71-L77 HydrophobicContact CE1-CB 4.19Å; Y71-L77 HydrophobicContact CE1-CD1 4.3Å; Y71-L77 HydrophobicContact CE2-CD1 3.95Å; Y71-L77 HydrophobicContact CG-CB 4.18Å; Y71-L77 HydrophobicContact CG-CD1 3.86Å; Y71-L77 HydrophobicContact CG-CD2 4.03Å; Y71-L77 HydrophobicContact CG-CG 4.25Å; D75-L77 PolarHBondContact O-N 3.22Å; L77-V79 PolarHBondContact O-N 3.08Å; L77-H116 CarbonylContact O-C 3.52Å; L77-H116 WeakPolarHBondContact O-CA 3.28Å; L77-A117 HydrophobicContact CB-CB 4.26Å; L77-A117 PolarHBondContact N-O 2.02Å; L77-A117 PolarHBondContact O-N 2.86Å
78Y87.7Confident80Confident122 Ų12278.3 Ų78.348%0.47840%0.398SS..EExtended strand (participates in β ladder)trans-66.7121.8176.7177.9-98.5000111.2P76 G80 K81 D114 H116P76-Y78 PolarHBondContact O-N 3.02Å; Y78-G80 WeakPolarHBondContact CE2-O 3.18Å; Y78-K81 VanDerWaalsContact OH-CB 3.26Å; Y78-K81 WeakPolarHBondContact OH-CB 3.28Å; Y78-K81 PolarHBondContact OH-N 2.96Å; Y78-D114 HydrophobicContact CD2-CB 4.3Å; Y78-D114 HydrophobicContact CE2-CB 3.82Å; Y78-H116 AromaticContact CD2-NE2 3.72Å
79V88.3Confident79.4Confident15 Ų1577.4 Ų77.49%0.09141%0.41CS..EExtended strand (participates in β ladder)trans-95.9-40.4-177.8173.20000111.5F65 V67 L77 F106 I115 A117 I152F65-V79 HydrophobicContact CB-CG1 3.72Å; F65-V79 HydrophobicContact CG-CG1 4.1Å; V67-V79 HydrophobicContact CG1-CG2 4.47Å; V67-V79 HydrophobicContact CG2-CB 3.92Å; V67-V79 HydrophobicContact CG2-CG1 3.43Å; V67-V79 VanDerWaalsContact CG2-CG1 3.43Å; V67-V79 HydrophobicContact CG2-CG2 3.62Å; L77-V79 PolarHBondContact O-N 3.08Å; V79-F106 HydrophobicContact CG2-CD1 4.09Å; V79-F106 HydrophobicContact CG2-CE1 4.09Å; V79-I115 HydrophobicContact CB-CB 4.28Å; V79-I115 HydrophobicContact CB-CG2 4.01Å; V79-I115 HydrophobicContact CG1-CG2 4.37Å; V79-I115 HydrophobicContact CG2-CG2 4.37Å; V79-I115 PolarHBondContact N-O 3.47Å; V79-A117 HydrophobicContact CG2-CB 4.08Å; V79-I152 HydrophobicContact CG1-CD1 4.03Å; V79-I152 HydrophobicContact CG1-CG1 4.38Å; V79-I152 HydrophobicContact CG1-CG2 4.36Å
80G87.8Confident79Confident7 Ų782.3 Ų82.37%0.07244%0.436CS..EExtended strand (participates in β ladder)trans165.5-176.6-173.800000111.4Y78 I115Y78-G80 WeakPolarHBondContact CE2-O 3.18Å; G80-I115 PolarHBondContact O-N 3.4Å
81K88.4Confident79.2Confident99 Ų9980.4 Ų80.443%0.4344%0.435SS..EExtended strand (participates in β ladder)trans-133.4135.6-178.2177.4175.8-155.8146.20110.5Y78 T112 G113 D114Y78-K81 VanDerWaalsContact OH-CB 3.26Å; Y78-K81 WeakPolarHBondContact OH-CB 3.28Å; Y78-K81 PolarHBondContact OH-N 2.96Å; K81-T112 WeakPolarHBondContact CE-O 3.27Å; K81-T112 PolarHBondContact NZ-O 3.45Å; K81-G113 WeakPolarHBondContact CA-O 3.42Å; K81-D114 WeakPolarHBondContact CD-OD1 3.19Å; K81-D114 WeakPolarHBondContact CE-OD1 2.99Å; K81-D114 VanDerWaalsContact CG-OD1 3.23Å; K81-D114 WeakPolarHBondContact CG-OD1 3.44Å; K81-D114 IonicContact NZ-OD1 2.6Å; K81-D114 PolarHBondContact NZ-OD1 2.89Å
82L86.6Confident79.9Confident40 Ų4077.6 Ų77.621%0.20943%0.431CS..  trans-101.6138167.8-64.6177.4000109.4F65 I108 G113 I115 A133 F150F65-L82 HydrophobicContact CE2-CD2 4.06Å; F65-L82 HydrophobicContact CZ-CD2 3.85Å; F65-L82 HydrophobicContact CZ-CG 4.47Å; L82-I108 HydrophobicContact CB-CD1 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.12Å; L82-G113 PolarHBondContact N-O 3.25Å; L82-I115 HydrophobicContact CD1-CD1 3.82Å; L82-I115 HydrophobicContact CG-CD1 3.83Å; L82-A133 HydrophobicContact CD1-CB 3.16Å; L82-F150 HydrophobicContact CD1-CE1 3.86Å; L82-F150 HydrophobicContact CD1-CZ 4.26Å
83H85.8Confident81.2Confident126 Ų12672.4 Ų72.458%0.58340%0.399SS*.  trans-143.4129.8-178.6-177.764.8000109.6D87H83-D87 IonicContact ND1-OD2 3.19Å
84S83.8Confident82.3Confident8 Ų874.3 Ų74.36%0.05640%0.397CS..  trans-91.8140.3170.4167.10000109.3M86 D87 Y95 E145S84-M86 PolarHBondContact O-N 2.66Å; S84-M86 WeakPolarHBondContact OG-CB 3.22Å; S84-M86 PolarHBondContact OG-N 2.88Å; S84-M86 VanDerWaalsContact OG-N 3.13Å; S84-D87 WeakPolarHBondContact O-CB 3.38Å; S84-D87 PolarHBondContact O-N 2.89Å; S84-Y95 PolarHBondContact N-OH 2.7Å; S84-E145 WeakPolarHBondContact OG-CG 3.43Å; S84-E145 PolarHBondContact OG-OE1 2.82Å
85D81.5Confident83.4Confident106 Ų10668 Ų6857%0.56736%0.357SS*.THydrogen-bonded Turntrans-71.6-6.9174.565.4-14000113.2K57 D87K57-D85 IonicContact NZ-OD2 2.78Å; K57-D85 PolarHBondContact NZ-OD2 2.72Å; D85-D87 VanDerWaalsContact C-N 3.32Å
86M81Confident84Confident95 Ų9565.5 Ų65.547%0.46834%0.343SS..THydrogen-bonded Turntrans-80.1-14.2167.7-58.3-160.4-173.300112.9S84 R88 I93 M144S84-M86 PolarHBondContact O-N 2.66Å; S84-M86 WeakPolarHBondContact OG-CB 3.22Å; S84-M86 PolarHBondContact OG-N 2.88Å; S84-M86 VanDerWaalsContact OG-N 3.13Å; M86-R88 PolarHBondContact O-N 3.34Å; M86-I93 HydrophobicContact CB-CD1 3.79Å; M86-M144 HydrophobicContact SD-CB 4.25Å
87D81.4Confident84.5Confident23 Ų2363.2 Ų63.212%0.12333%0.327CS..  trans-76.4108.6179.6-169.8-5.6000110.3H83 S84 D85 G89 I93 Y95H83-D87 IonicContact ND1-OD2 3.19Å; S84-D87 WeakPolarHBondContact O-CB 3.38Å; S84-D87 PolarHBondContact O-N 2.89Å; D85-D87 VanDerWaalsContact C-N 3.32Å; D87-G89 PolarHBondContact O-N 2.8Å; D87-G89 PolarHBondContact OD1-N 3.49Å; D87-I93 HydrophobicContact CB-CD1 3.85Å; D87-I93 HydrophobicContact CB-CG1 4.37Å; D87-Y95 WeakPolarHBondContact CB-OH 3.2Å; D87-Y95 PolarHBondContact OD2-OH 2.94Å
88R78.8Confident84.7Confident221 Ų22163.6 Ų63.683%0.83433%0.333SS*.  trans-85.35179.3-63.9-178.4-177.8167.90112.8M86 D90M86-R88 PolarHBondContact O-N 3.34Å; R88-D90 PolarHBondContact O-N 3.04Å
89G72.8Confident84.7Confident70 Ų7060.1 Ų60.172%0.72233%0.334SS*.SBendtrans70.515.9-174.700000113.4D87D87-G89 PolarHBondContact O-N 2.8Å; D87-G89 PolarHBondContact OD1-N 3.49Å
90D78.8Confident84.5Confident104 Ų10463.3 Ų63.356%0.55635%0.347SS*.SBendtrans-92.44.1176.864.1-7.2000112.8R88 S92R88-D90 PolarHBondContact O-N 3.04Å; D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.26Å; D90-S92 WeakPolarHBondContact OD1-CB 3.08Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.99Å
91G77.8Confident84.3Confident31 Ų3163.9 Ų63.932%0.3235%0.353SS..SBendtrans71.917.8-179.100000114I93 R138G91-I93 VanDerWaalsContact C-N 3.31Å; G91-R138 WeakPolarHBondContact O-CD 3.3Å
92S82.8Confident84.2Confident45 Ų4560.4 Ų60.432%0.31534%0.343SS..  trans-74.8-18.6178.759.60000113.9D90 R138D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.26Å; D90-S92 WeakPolarHBondContact OD1-CB 3.08Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.99Å; S92-R138 VanDerWaalsContact O-CB 3.32Å; S92-R138 WeakPolarHBondContact O-CB 3.49Å; S92-R138 PolarHBondContact O-N 2.82Å
93I86.9Confident84Confident6 Ų661.2 Ų61.23%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-103.7139.9-179.7-59.1-163.4000110.4M86 D87 G91 Y95 A135 L136M86-I93 HydrophobicContact CB-CD1 3.79Å; D87-I93 HydrophobicContact CB-CD1 3.85Å; D87-I93 HydrophobicContact CB-CG1 4.37Å; G91-I93 VanDerWaalsContact C-N 3.31Å; I93-Y95 HydrophobicContact CG2-CE1 4.17Å; I93-Y95 HydrophobicContact CG2-CE2 4.17Å; I93-A135 HydrophobicContact CG2-CB 3.86Å; I93-L136 CarbonylContact C-O 3.57Å; I93-L136 WeakPolarHBondContact CA-O 3.29Å
94K88.4Confident83.9Confident76 Ų7660.3 Ų60.333%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-115.4121.1173.3-172.9-176.6179.5179.40109.8I96 D110 L136 R138K94-I96 HydrophobicContact CD-CD1 4.46Å; K94-I96 HydrophobicContact CD-CG1 4.5Å; K94-I96 HydrophobicContact CG-CG1 4.46Å; K94-D110 VanDerWaalsContact CA-O 3.31Å; K94-D110 WeakPolarHBondContact CA-O 3.49Å; K94-D110 WeakPolarHBondContact CE-OD2 3.41Å; K94-D110 HydrophobicContact CG-CB 3.89Å; K94-L136 PolarHBondContact N-O 3.1Å; K94-L136 PolarHBondContact O-N 3.47Å; K94-R138 HydrophobicContact CB-CB 4.41Å; K94-R138 HydrophobicContact CB-CG 4.39Å
95Y89.3Confident84.1Confident10 Ų1060.6 Ų60.64%0.03936%0.361CS..EExtended strand (participates in β ladder)trans-89135.3175.1-59.1-82.8000110.9S84 D87 I93 D110 A135S84-Y95 PolarHBondContact N-OH 2.7Å; D87-Y95 WeakPolarHBondContact CB-OH 3.2Å; D87-Y95 PolarHBondContact OD2-OH 2.94Å; I93-Y95 HydrophobicContact CG2-CE1 4.17Å; I93-Y95 HydrophobicContact CG2-CE2 4.17Å; Y95-D110 PolarHBondContact N-O 3.05Å; Y95-A135 HydrophobicContact CD1-CB 4.22Å; Y95-A135 HydrophobicContact CE1-CB 4.18Å
96I89.7Confident84.5Confident66 Ų6655.6 Ų55.634%0.33833%0.334SS..EExtended strand (participates in β ladder)trans-129.6138.2175.9-58.4-175000109.3K94 A133 Q134 L136K94-I96 HydrophobicContact CD-CD1 4.46Å; K94-I96 HydrophobicContact CD-CG1 4.5Å; K94-I96 HydrophobicContact CG-CG1 4.46Å; I96-A133 WeakPolarHBondContact O-CA 3.41Å; I96-Q134 PolarHBondContact N-O 2.8Å; I96-Q134 PolarHBondContact O-N 2.82Å; I96-L136 HydrophobicContact CD1-CD1 3.49Å; I96-L136 VanDerWaalsContact CD1-CD1 3.49Å; I96-L136 HydrophobicContact CD1-CG 4.38Å; I96-L136 HydrophobicContact CG1-CD1 4.36Å
97L91.4Very high85Confident21 Ų2153.8 Ų53.811%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-108.5137.2175.4-170.368.2000109.8A102 F106 I108 L131 A133 F150L97-A102 HydrophobicContact CD2-CB 4.36Å; L97-A102 HydrophobicContact CG-CB 4.08Å; L97-F106 HydrophobicContact CD2-CB 3.91Å; L97-I108 HydrophobicContact CB-CB 4.07Å; L97-I108 HydrophobicContact CB-CG2 3.54Å; L97-L131 HydrophobicContact CD1-CB 4.03Å; L97-L131 HydrophobicContact CD1-CD1 4.32Å; L97-L131 HydrophobicContact CD1-CD2 4.29Å; L97-L131 HydrophobicContact CD1-CG 4.47Å; L97-L131 HydrophobicContact CD2-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.25Å; L97-L131 HydrophobicContact CG-CD2 4.12Å; L97-A133 HydrophobicContact CD1-CB 4.48Å; L97-F150 HydrophobicContact CD1-CE1 3.79Å; L97-F150 HydrophobicContact CD1-CZ 3.55Å
98S89.3Confident85.4Confident45 Ų4553.6 Ų53.632%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-141.7164.9177.2630000109.9L131 R132S98-L131 WeakPolarHBondContact O-CD2 3.5Å; S98-R132 PolarHBondContact N-O 3.49Å; S98-R132 PolarHBondContact O-N 3.4Å; S98-R132 VanDerWaalsContact O-O 3.12Å; S98-R132 PolarHBondContact OG-O 3.01Å
99G87.9Confident86Confident48 Ų4845.9 Ų45.950%0.49530%0.303SS..EExtended strand (participates in β ladder)trans108.8-156-177.200000113.4G101 A102G99-G101 PolarHBondContact O-N 3.4Å; G99-A102 PolarHBondContact O-N 3.47Å
100E84.9Confident86.7Confident82 Ų8244.9 Ų44.938%0.38328%0.281SS..THydrogen-bonded Turntrans-73115.8-170.4-58-175.4136.700111.8A102 R126 Y129 T130 L131E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 3.39Å; E100-R126 IonicContact OE1-NH2 3.05Å; E100-R126 PolarHBondContact OE1-NH2 2.86Å; E100-R126 IonicContact OE2-CZ 2.97Å; E100-R126 IonicContact OE2-NH2 3.45Å; E100-R126 PolarHBondContact OE2-NH2 3.33Å; E100-Y129 HydrophobicContact CB-CD1 4.3Å; E100-T130 PolarHBondContact N-O 3.19Å; E100-T130 VanDerWaalsContact N-O 3.08Å; E100-T130 PolarHBondContact OE2-N 2.83Å; E100-T130 VanDerWaalsContact OE2-N 3.12Å; E100-L131 WeakPolarHBondContact O-CD2 3.21Å
101G82.3Confident87.1Confident19 Ų1942.6 Ų42.620%0.19627%0.271CS..THydrogen-bonded Turntrans78.84.6179.800000114.9G99 G103 I104 V105 F106G99-G101 PolarHBondContact O-N 3.4Å; G101-G103 PolarHBondContact O-N 2.94Å; G101-I104 PolarHBondContact O-N 3.21Å; G101-V105 PolarHBondContact O-N 3.07Å; G101-F106 PolarHBondContact O-N 3.42Å
102A86.8Confident87.5Confident26 Ų2643.3 Ų43.322%0.21527%0.269CS..BIsolated β-bridgetrans-63.7127.3175.300000111.5L97 G99 E100 I104 L131L97-A102 HydrophobicContact CD2-CB 4.36Å; L97-A102 HydrophobicContact CG-CB 4.08Å; G99-A102 PolarHBondContact O-N 3.47Å; E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 3.39Å; A102-I104 PolarHBondContact O-N 2.74Å; A102-L131 HydrophobicContact CB-CD2 3.81Å
103G81.9Confident87.6Confident57 Ų5741.1 Ų41.159%0.58825%0.254SS*.THydrogen-bonded Turntrans79.7-8.4-178.100000115.2G101 F106G101-G103 PolarHBondContact O-N 2.94Å; G103-F106 PolarHBondContact N-O 2.97Å
104I84.4Confident87.8Confident108 Ų10842.5 Ų42.555%0.55426%0.261SS*.THydrogen-bonded Turntrans-114.4-53.7-179.5-58.6173.1000110.3G101 A102 I118 Q119G101-I104 PolarHBondContact O-N 3.21Å; A102-I104 PolarHBondContact O-N 2.74Å; I104-I118 VanDerWaalsContact O-CD1 3.25Å; I104-I118 WeakPolarHBondContact O-CD1 3.46Å; I104-I118 VanDerWaalsContact O-CG1 3.32Å; I104-I118 WeakPolarHBondContact O-CG1 3.27Å; I104-Q119 WeakPolarHBondContact O-CG 3.26Å; I104-Q119 PolarHBondContact O-NE2 3.3Å
105V87.3Confident87.9Confident14 Ų1438.9 Ų38.99%0.08525%0.245CC..THydrogen-bonded Turntrans-101-43-179-178.10000110.1G101 A117 I118 L121G101-V105 PolarHBondContact O-N 3.07Å; V105-A117 CarbonylContact O-C 3.51Å; V105-A117 VanDerWaalsContact O-CA 3.31Å; V105-A117 WeakPolarHBondContact O-CA 3.3Å; V105-I118 WeakPolarHBondContact O-CG1 3.2Å; V105-I118 PolarHBondContact O-N 3.43Å; V105-L121 HydrophobicContact CG1-CD2 3.36Å
106F90.9Very high87.9Confident0 Ų040.7 Ų40.70%025%0.254CS..EExtended strand (participates in β ladder)trans-118.8134.2179.3-58.1-77.6000111.3V79 L97 G101 G103 I115 H116 A117 L121 Y129 L131 I152V79-F106 HydrophobicContact CG2-CD1 4.09Å; V79-F106 HydrophobicContact CG2-CE1 4.09Å; L97-F106 HydrophobicContact CD2-CB 3.91Å; G101-F106 PolarHBondContact O-N 3.42Å; G103-F106 PolarHBondContact N-O 2.97Å; F106-I115 HydrophobicContact CB-CG2 4.48Å; F106-H116 CarbonylContact C-O 3.46Å; F106-H116 WeakPolarHBondContact CA-O 3.41Å; F106-A117 HydrophobicContact CD1-CB 3.91Å; F106-A117 HydrophobicContact CE1-CB 3.82Å; F106-L121 HydrophobicContact CE1-CD1 4.12Å; F106-L121 HydrophobicContact CE1-CD2 4.43Å; F106-L121 HydrophobicContact CZ-CD1 4.11Å; F106-L121 HydrophobicContact CZ-CD2 3.93Å; F106-Y129 AromaticContact CE2-CD1 3.96Å; F106-Y129 HydrophobicContact CE2-CD1 3.96Å; F106-Y129 AromaticContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CE1 4.39Å; F106-Y129 HydrophobicContact CE2-CE2 4.21Å; F106-Y129 AromaticContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CZ-CD2 4.04Å; F106-Y129 HydrophobicContact CZ-CE2 4.46Å; F106-Y129 HydrophobicContact CZ-CG 4.33Å; F106-L131 HydrophobicContact CB-CD1 4.21Å; F106-L131 HydrophobicContact CD2-CD1 3.84Å; F106-L131 HydrophobicContact CG-CD1 4.09Å; F106-I152 HydrophobicContact CD1-CD1 3.51Å; F106-I152 HydrophobicContact CD2-CD1 4Å; F106-I152 HydrophobicContact CE1-CD1 3.51Å; F106-I152 HydrophobicContact CE1-CG2 4.04Å; F106-I152 HydrophobicContact CE2-CD1 4Å; F106-I152 HydrophobicContact CG-CD1 3.76Å; F106-I152 HydrophobicContact CZ-CB 4.27Å; F106-I152 HydrophobicContact CZ-CD1 3.77Å; F106-I152 HydrophobicContact CZ-CG2 3.92Å
107T90.8Very high87.9Confident57 Ų5737.7 Ų37.735%0.3524%0.239SC..EExtended strand (participates in β ladder)trans-120.9150.2173.3-168.60000110.2I115 H116 I118T107-I115 CarbonylContact O-C 3.54Å; T107-I115 VanDerWaalsContact O-CA 3.3Å; T107-I115 WeakPolarHBondContact O-CA 3.16Å; T107-H116 HydrophobicContact CG2-CB 4.1Å; T107-H116 PolarHBondContact N-O 3.41Å; T107-H116 PolarHBondContact O-N 2.88Å; T107-I118 HydrophobicContact CG2-CG2 3.7Å
108I91.4Very high87.7Confident20 Ų2040.6 Ų40.610%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-117.9133.4172.8-168.4165.4000108.8L82 L97 D110 D114 I115L82-I108 HydrophobicContact CB-CD1 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.12Å; L97-I108 HydrophobicContact CB-CB 4.07Å; L97-I108 HydrophobicContact CB-CG2 3.54Å; I108-D110 PolarHBondContact O-N 3.45Å; I108-D114 WeakPolarHBondContact CA-O 3.31Å; I108-I115 HydrophobicContact CB-CG1 4.26Å; I108-I115 HydrophobicContact CD1-CD1 4.45Å; I108-I115 HydrophobicContact CD1-CG1 3.88Å; I108-I115 HydrophobicContact CG1-CG1 3.94Å
109D90.1Very high87.5Confident58 Ų5843.3 Ų43.331%0.3126%0.262SS..  trans-69.2121.6168.7177-14.4000108.8T111 T112 G113 D114D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 PolarHBondContact OD1-N 2.82Å; D109-T111 PolarHBondContact OD1-OG1 2.83Å; D109-T112 WeakPolarHBondContact CB-OG1 3.32Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.08Å; D109-T112 PolarHBondContact OD2-OG1 3.43Å; D109-G113 WeakPolarHBondContact O-CA 3.38Å; D109-G113 PolarHBondContact O-N 3.37Å; D109-D114 PolarHBondContact N-O 2.02Å
110D88.8Confident87.4Confident50 Ų5049.2 Ų49.227%0.26727%0.269SS..THydrogen-bonded Turntrans-68.7-18.1-172.887.2-34.8000113.1K94 Y95 I108 R138K94-D110 VanDerWaalsContact CA-O 3.31Å; K94-D110 WeakPolarHBondContact CA-O 3.49Å; K94-D110 WeakPolarHBondContact CE-OD2 3.41Å; K94-D110 HydrophobicContact CG-CB 3.89Å; Y95-D110 PolarHBondContact N-O 3.05Å; I108-D110 PolarHBondContact O-N 3.45Å; D110-R138 VanDerWaalsContact CG-NH2 3.32Å; D110-R138 IonicContact OD1-NH2 2.69Å; D110-R138 PolarHBondContact OD1-NH2 3.25Å; D110-R138 VanDerWaalsContact OD1-NH2 3.13Å; D110-R138 IonicContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH2 3.21Å; D110-R138 PolarHBondContact OD2-NH2 3.41Å
111T85.6Confident87.5Confident56 Ų5645.6 Ų45.634%0.34425%0.252SS..THydrogen-bonded Turntrans-99.1-42.2178.657.40000113.7D109D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 PolarHBondContact OD1-N 2.82Å; D109-T111 PolarHBondContact OD1-OG1 2.83Å
112T85.9Confident87.8Confident45 Ų4547.3 Ų47.328%0.27626%0.257SS..THydrogen-bonded Turntrans-92-28.5-174.761.40000112.1K81 D109 D114K81-T112 WeakPolarHBondContact CE-O 3.27Å; K81-T112 PolarHBondContact NZ-O 3.45Å; D109-T112 WeakPolarHBondContact CB-OG1 3.32Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.08Å; D109-T112 PolarHBondContact OD2-OG1 3.43Å; T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 WeakPolarHBondContact OG1-CB 2.92Å; T112-D114 PolarHBondContact OG1-N 3.43Å; T112-D114 PolarHBondContact OG1-OD2 2.98Å
113G86.5Confident88Confident0 Ų047.6 Ų47.60%025%0.252CS..  trans81.610.3-171.800000113.8K81 L82 D109K81-G113 WeakPolarHBondContact CA-O 3.42Å; L82-G113 PolarHBondContact N-O 3.25Å; D109-G113 WeakPolarHBondContact O-CA 3.38Å; D109-G113 PolarHBondContact O-N 3.37Å
114D89.9Confident88.4Confident35 Ų3547.8 Ų47.819%0.18724%0.238CC..EExtended strand (participates in β ladder)trans-76.8123.5178.9-65.9-12.4000110.5Y78 K81 I108 D109 T112 H116Y78-D114 HydrophobicContact CD2-CB 4.3Å; Y78-D114 HydrophobicContact CE2-CB 3.82Å; K81-D114 WeakPolarHBondContact CD-OD1 3.19Å; K81-D114 WeakPolarHBondContact CE-OD1 2.99Å; K81-D114 VanDerWaalsContact CG-OD1 3.23Å; K81-D114 WeakPolarHBondContact CG-OD1 3.44Å; K81-D114 IonicContact NZ-OD1 2.6Å; K81-D114 PolarHBondContact NZ-OD1 2.89Å; I108-D114 WeakPolarHBondContact CA-O 3.31Å; D109-D114 PolarHBondContact N-O 2.02Å; T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 WeakPolarHBondContact OG1-CB 2.92Å; T112-D114 PolarHBondContact OG1-N 3.43Å; T112-D114 PolarHBondContact OG1-OD2 2.98Å; D114-H116 PolarHBondContact O-ND1 3.1Å
115I90.8Very high88.6Confident0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-94.1130.1179-58.2169.4000109F65 V79 G80 L82 F106 T107 I108 F150F65-I115 HydrophobicContact CE2-CD1 4.12Å; V79-I115 HydrophobicContact CB-CB 4.28Å; V79-I115 HydrophobicContact CB-CG2 4.01Å; V79-I115 HydrophobicContact CG1-CG2 4.37Å; V79-I115 HydrophobicContact CG2-CG2 4.37Å; V79-I115 PolarHBondContact N-O 3.47Å; G80-I115 PolarHBondContact O-N 3.4Å; L82-I115 HydrophobicContact CD1-CD1 3.82Å; L82-I115 HydrophobicContact CG-CD1 3.83Å; F106-I115 HydrophobicContact CB-CG2 4.48Å; T107-I115 CarbonylContact O-C 3.54Å; T107-I115 VanDerWaalsContact O-CA 3.3Å; T107-I115 WeakPolarHBondContact O-CA 3.16Å; I108-I115 HydrophobicContact CB-CG1 4.26Å; I108-I115 HydrophobicContact CD1-CD1 4.45Å; I108-I115 HydrophobicContact CD1-CG1 3.88Å; I108-I115 HydrophobicContact CG1-CG1 3.94Å; I115-F150 HydrophobicContact CD1-CE2 4.11Å; I115-F150 HydrophobicContact CD1-CZ 3.7Å
116H89.7Confident88.7Confident47 Ų4754.1 Ų54.122%0.21826%0.26CS..EExtended strand (participates in β ladder)trans-126142176.3-60.481.7000111.3P76 L77 Y78 F106 T107 D114P76-H116 HydrophobicContact CB-CB 3.65Å; L77-H116 CarbonylContact O-C 3.52Å; L77-H116 WeakPolarHBondContact O-CA 3.28Å; Y78-H116 AromaticContact CD2-NE2 3.72Å; F106-H116 CarbonylContact C-O 3.46Å; F106-H116 WeakPolarHBondContact CA-O 3.41Å; T107-H116 HydrophobicContact CG2-CB 4.1Å; T107-H116 PolarHBondContact N-O 3.41Å; T107-H116 PolarHBondContact O-N 2.88Å; D114-H116 PolarHBondContact O-ND1 3.1Å
117A89.6Confident88.5Confident3 Ų357.2 Ų57.23%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-86126.9165.100000109.1P76 L77 V79 V105 F106 L121P76-A117 CarbonylContact C-O 3.55Å; P76-A117 WeakPolarHBondContact CA-O 3.34Å; L77-A117 HydrophobicContact CB-CB 4.26Å; L77-A117 PolarHBondContact N-O 2.02Å; L77-A117 PolarHBondContact O-N 2.86Å; V79-A117 HydrophobicContact CG2-CB 4.08Å; V105-A117 CarbonylContact O-C 3.51Å; V105-A117 VanDerWaalsContact O-CA 3.31Å; V105-A117 WeakPolarHBondContact O-CA 3.3Å; F106-A117 HydrophobicContact CD1-CB 3.91Å; F106-A117 HydrophobicContact CE1-CB 3.82Å; A117-L121 HydrophobicContact CB-CD1 4.14Å
118I86.3Confident88.6Confident82 Ų8258.6 Ų58.642%0.42129%0.285SS..  trans-107.6-2.4-176.453.5166.3000112.8P76 I104 V105 T107P76-I118 HydrophobicContact CB-CG2 4.01Å; P76-I118 HydrophobicContact CG-CG2 4.22Å; I104-I118 VanDerWaalsContact O-CD1 3.25Å; I104-I118 WeakPolarHBondContact O-CD1 3.46Å; I104-I118 VanDerWaalsContact O-CG1 3.32Å; I104-I118 WeakPolarHBondContact O-CG1 3.27Å; V105-I118 WeakPolarHBondContact O-CG1 3.2Å; V105-I118 PolarHBondContact O-N 3.43Å; T107-I118 HydrophobicContact CG2-CG2 3.7Å
119Q85.7Confident88.6Confident103 Ų10358.8 Ų58.848%0.48128%0.284SS..SBendtrans-124.5161.2173.7-65.9-171.51000110I104I104-Q119 WeakPolarHBondContact O-CG 3.26Å; I104-Q119 PolarHBondContact O-NE2 3.3Å
120R84.9Confident88.6Confident171 Ų17157.9 Ų57.965%0.64528%0.281SS*.  trans-66.9138.8169.1-64.2-172.9-176.8-171.10.1109
121L88.6Confident88.7Confident7 Ų755.5 Ų55.54%0.03727%0.268CS..  trans-107.4137.2178.5-57.8176.1000107V67 E69 E70 V105 F106 A117 Y129 I154V67-L121 HydrophobicContact CB-CD1 4.16Å; V67-L121 HydrophobicContact CG1-CD1 3.57Å; E69-L121 WeakPolarHBondContact CA-O 3.43Å; E69-L121 WeakPolarHBondContact CB-O 3.34Å; E70-L121 PolarHBondContact N-O 2.85Å; V105-L121 HydrophobicContact CG1-CD2 3.36Å; F106-L121 HydrophobicContact CE1-CD1 4.12Å; F106-L121 HydrophobicContact CE1-CD2 4.43Å; F106-L121 HydrophobicContact CZ-CD1 4.11Å; F106-L121 HydrophobicContact CZ-CD2 3.93Å; A117-L121 HydrophobicContact CB-CD1 4.14Å; L121-Y129 HydrophobicContact CD2-CE2 4.49Å; L121-I154 HydrophobicContact CB-CD1 3.98Å; L121-I154 HydrophobicContact CB-CG1 4.43Å; L121-I154 HydrophobicContact CD1-CD1 4.43Å; L121-I154 HydrophobicContact CD1-CG1 4.31Å; L121-I154 HydrophobicContact CD2-CD1 4.4Å; L121-I154 HydrophobicContact CG-CD1 4.5Å
122D89Confident88.9Confident54 Ų5458 Ų5829%0.28927%0.271SS..  trans-130.4121.7176.6171.3-16.6000106E124 E125 R126D122-E124 WeakPolarHBondContact OD1-CA 3.48Å; D122-E124 WeakPolarHBondContact OD1-CB 3.04Å; D122-E124 PolarHBondContact OD1-N 3.32Å; D122-E125 HydrophobicContact CB-CB 4.2Å; D122-E125 PolarHBondContact OD1-N 2.85Å; D122-R126 PolarHBondContact O-N 3.36Å; D122-R126 VanDerWaalsContact O-N 3.08Å
123R90.4Very high89.1Confident33 Ų3356.4 Ų56.413%0.12526%0.263CS..THydrogen-bonded Turntrans-75.8-34.3-175.8-164.3-139.765.6154127.9110.9E69 E125 R126 S127 I154 D156 A191 D192 D193E69-R123 WeakPolarHBondContact OE2-CB 3.45Å; E69-R123 PolarHBondContact OE2-N 2.85Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 PolarHBondContact O-N 3.33Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 3.41Å; R123-S127 PolarHBondContact O-N 2.89Å; R123-I154 HydrophobicContact CB-CB 4.35Å; R123-I154 HydrophobicContact CB-CG2 3.75Å; R123-I154 HydrophobicContact CG-CB 4.16Å; R123-I154 HydrophobicContact CG-CG2 4.04Å; R123-D156 IonicContact CZ-OD1 3.25Å; R123-D156 IonicContact NE-OD1 3.82Å; R123-D156 PolarHBondContact NE-OD1 2.92Å; R123-D156 IonicContact NH1-OD1 3.13Å; R123-D156 PolarHBondContact NH1-OD1 3.12Å; R123-A191 PolarHBondContact NH1-O 2.93Å; R123-D192 VanDerWaalsContact NH1-CA 3.31Å; R123-D193 VanDerWaalsContact NH1-CA 3.3Å; R123-D193 VanDerWaalsContact NH2-CG 3.29Å; R123-D193 IonicContact NH2-OD2 2.79Å; R123-D193 PolarHBondContact NH2-OD2 3.21Å
124E89.8Confident89.2Confident60 Ų6059.4 Ų59.428%0.2828%0.277SS..THydrogen-bonded Turntrans-66-33178.1-73.555.5-106.800110.6D122 A191D122-E124 WeakPolarHBondContact OD1-CA 3.48Å; D122-E124 WeakPolarHBondContact OD1-CB 3.04Å; D122-E124 PolarHBondContact OD1-N 3.32Å; E124-A191 HydrophobicContact CG-CB 4.01Å
125E88.8Confident89.2Confident164 Ų16458.1 Ų58.177%0.76627%0.271SS*.THydrogen-bonded Turntrans-72.4-50168-171.5179.2-176.700111.3D122 R123D122-E125 HydrophobicContact CB-CB 4.2Å; D122-E125 PolarHBondContact OD1-N 2.85Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 PolarHBondContact O-N 3.33Å
126R88.4Confident89.1Confident92 Ų9259.3 Ų59.335%0.34728%0.277SS..  trans-154.1114.7-178.6-169.7166.3-179.7160.710.6113.4E100 D122 R123 Q128 Y129 I154E100-R126 IonicContact OE1-NH2 3.05Å; E100-R126 PolarHBondContact OE1-NH2 2.86Å; E100-R126 IonicContact OE2-CZ 2.97Å; E100-R126 IonicContact OE2-NH2 3.45Å; E100-R126 PolarHBondContact OE2-NH2 3.33Å; D122-R126 PolarHBondContact O-N 3.36Å; D122-R126 VanDerWaalsContact O-N 3.08Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 3.41Å; R126-Q128 PolarHBondContact NE-O 2.6Å; R126-Y129 HydrophobicContact CB-CE2 4.37Å; R126-Y129 HydrophobicContact CG-CE2 4.13Å; R126-I154 WeakPolarHBondContact O-CD1 3.36Å
127S88.3Confident88.9Confident65 Ų6558.7 Ų58.746%0.45528%0.275SS..SBendtrans-80.4-19.5-174.560.20000116.7R123 I154R123-S127 PolarHBondContact O-N 2.89Å; S127-I154 PolarHBondContact O-N 2.84Å
128Q91.6Very high88.6Confident86 Ų8664.2 Ų64.240%0.40230%0.295SS..EExtended strand (participates in β ladder)trans-153.7152.1177.764.6176.727.800113.7R126 I151 I152R126-Q128 PolarHBondContact NE-O 2.6Å; Q128-I151 HydrophobicContact CB-CG2 3.94Å; Q128-I152 WeakPolarHBondContact CA-O 2.97Å
129Y91.3Very high88.5Confident23 Ų2370.8 Ų70.89%0.0932%0.315CS..EExtended strand (participates in β ladder)trans-122.8130.7175.6-69.8-95.2000110.4E100 F106 L121 R126 I151 I152 I154E100-Y129 HydrophobicContact CB-CD1 4.3Å; F106-Y129 AromaticContact CE2-CD1 3.96Å; F106-Y129 HydrophobicContact CE2-CD1 3.96Å; F106-Y129 AromaticContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CE1 4.39Å; F106-Y129 HydrophobicContact CE2-CE2 4.21Å; F106-Y129 AromaticContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CZ-CD2 4.04Å; F106-Y129 HydrophobicContact CZ-CE2 4.46Å; F106-Y129 HydrophobicContact CZ-CG 4.33Å; L121-Y129 HydrophobicContact CD2-CE2 4.49Å; R126-Y129 HydrophobicContact CB-CE2 4.37Å; R126-Y129 HydrophobicContact CG-CE2 4.13Å; Y129-I151 CarbonylContact O-C 3.56Å; Y129-I151 VanDerWaalsContact O-CA 3.3Å; Y129-I151 WeakPolarHBondContact O-CA 3.43Å; Y129-I152 PolarHBondContact N-O 3.48Å; Y129-I152 PolarHBondContact O-N 2.96Å; Y129-I154 HydrophobicContact CD2-CD1 3.94Å; Y129-I154 HydrophobicContact CE2-CD1 3.49Å; Y129-I154 VanDerWaalsContact CE2-CD1 3.49Å
130T91.3Very high88.3Confident39 Ų3968.6 Ų68.624%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-100116.5174.6-50.60000110E100 E149E100-T130 PolarHBondContact N-O 3.19Å; E100-T130 VanDerWaalsContact N-O 3.08Å; E100-T130 PolarHBondContact OE2-N 2.83Å; E100-T130 VanDerWaalsContact OE2-N 3.12Å; T130-E149 HydrophobicContact CG2-CG 3.7Å; T130-E149 WeakPolarHBondContact CG2-OE1 3.26Å
131L90.6Very high88.1Confident0 Ų062.8 Ų62.80%030%0.302CS..EExtended strand (participates in β ladder)trans-122.4157.2-175.1-74.1166.4000111.3L97 S98 E100 A102 F106 E149 F150 I152L97-L131 HydrophobicContact CD1-CB 4.03Å; L97-L131 HydrophobicContact CD1-CD1 4.32Å; L97-L131 HydrophobicContact CD1-CD2 4.29Å; L97-L131 HydrophobicContact CD1-CG 4.47Å; L97-L131 HydrophobicContact CD2-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.25Å; L97-L131 HydrophobicContact CG-CD2 4.12Å; S98-L131 WeakPolarHBondContact O-CD2 3.5Å; E100-L131 WeakPolarHBondContact O-CD2 3.21Å; A102-L131 HydrophobicContact CB-CD2 3.81Å; F106-L131 HydrophobicContact CB-CD1 4.21Å; F106-L131 HydrophobicContact CD2-CD1 3.84Å; F106-L131 HydrophobicContact CG-CD1 4.09Å; L131-E149 CarbonylContact O-C 3.59Å; L131-E149 WeakPolarHBondContact O-CA 3.37Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 4Å; L131-F150 HydrophobicContact CB-CE2 3.96Å; L131-F150 HydrophobicContact CB-CZ 3.72Å; L131-F150 HydrophobicContact CD1-CE2 4.12Å; L131-F150 HydrophobicContact CD1-CZ 4.18Å; L131-F150 PolarHBondContact N-O 3.38Å; L131-F150 PolarHBondContact O-N 2.84Å; L131-I152 HydrophobicContact CD1-CD1 3.31Å; L131-I152 HydrophobicContact CD1-CG1 3.94Å
132R90.3Very high87.9Confident108 Ų10870.7 Ų70.741%0.40833%0.331SS..EExtended strand (participates in β ladder)trans-129.8129.2179.4-63.1-179.2-176.2179.31109.8S98 E147 S148 E149S98-R132 PolarHBondContact N-O 3.49Å; S98-R132 PolarHBondContact O-N 3.4Å; S98-R132 VanDerWaalsContact O-O 3.12Å; S98-R132 PolarHBondContact OG-O 3.01Å; R132-E147 HydrophobicContact CB-CG 4Å; R132-E147 WeakPolarHBondContact CB-OE1 3.29Å; R132-E147 WeakPolarHBondContact CD-OE1 3.31Å; R132-S148 WeakPolarHBondContact CA-O 2.96Å; R132-E149 HydrophobicContact CG-CB 4.12Å; R132-E149 HydrophobicContact CG-CG 4.14Å; R132-E149 IonicContact CZ-OE1 3.05Å; R132-E149 IonicContact NE-OE1 2.75Å; R132-E149 PolarHBondContact NE-OE1 2.83Å; R132-E149 IonicContact NH2-OE1 3.48Å; R132-E149 PolarHBondContact NH2-OE1 3.03Å
133A88.9Confident87.7Confident12 Ų1271.9 Ų71.910%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-113.7146.1176.800000111.8L82 I96 L97 S148 F150L82-A133 HydrophobicContact CD1-CB 3.16Å; I96-A133 WeakPolarHBondContact O-CA 3.41Å; L97-A133 HydrophobicContact CD1-CB 4.48Å; A133-S148 PolarHBondContact N-O 2.86Å; A133-S148 PolarHBondContact O-N 2.9Å; A133-F150 HydrophobicContact CB-CD1 4.44Å; A133-F150 HydrophobicContact CB-CE1 3.82Å
134Q88.8Confident87.4Confident64 Ų6473.3 Ų73.330%0.29935%0.351SS..EExtended strand (participates in β ladder)trans-138135.4176.7-169170.754.900110.4I96 L136 P143I96-Q134 PolarHBondContact N-O 2.8Å; I96-Q134 PolarHBondContact O-N 2.82Å; Q134-L136 HydrophobicContact CG-CD2 3.85Å; Q134-P143 HydrophobicContact CG-CB 4.39Å
135A89.3Confident87.1Confident7 Ų773 Ų736%0.05835%0.349CS..EExtended strand (participates in β ladder)trans-98.8119.417300000109.7I93 Y95 M144 E145I93-A135 HydrophobicContact CG2-CB 3.86Å; Y95-A135 HydrophobicContact CD1-CB 4.22Å; Y95-A135 HydrophobicContact CE1-CB 4.18Å; A135-M144 PolarHBondContact O-N 3.01Å; A135-E145 HydrophobicContact CB-CB 4.19Å; A135-E145 HydrophobicContact CB-CG 4.15Å
136L88.9Confident86.9Confident25 Ų2570 Ų7013%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-111148.1179.9-57.4-177000110.7I93 K94 I96 Q134 R138 R142 P143I93-L136 CarbonylContact C-O 3.57Å; I93-L136 WeakPolarHBondContact CA-O 3.29Å; K94-L136 PolarHBondContact N-O 3.1Å; K94-L136 PolarHBondContact O-N 3.47Å; I96-L136 HydrophobicContact CD1-CD1 3.49Å; I96-L136 VanDerWaalsContact CD1-CD1 3.49Å; I96-L136 HydrophobicContact CD1-CG 4.38Å; I96-L136 HydrophobicContact CG1-CD1 4.36Å; Q134-L136 HydrophobicContact CG-CD2 3.85Å; L136-R138 PolarHBondContact O-N 3.04Å; L136-R142 CarbonylContact C-O 3.53Å; L136-R142 WeakPolarHBondContact CA-O 3.39Å; L136-P143 HydrophobicContact CD2-CB 3.97Å
137D86.7Confident86.8Confident35 Ų3570.3 Ų70.319%0.18735%0.35CS..EExtended strand (participates in β ladder)trans-69.7125166.1167-9.4000109.5R139 T140 G141 R142 M144D137-R139 PolarHBondContact O-N 2.81Å; D137-R139 WeakPolarHBondContact OD1-CA 3.37Å; D137-R139 WeakPolarHBondContact OD1-CB 3.25Å; D137-R139 PolarHBondContact OD1-N 2.8Å; D137-T140 WeakPolarHBondContact CB-OG1 3.43Å; D137-T140 PolarHBondContact O-N 3.46Å; D137-T140 PolarHBondContact OD1-N 3.28Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T140 PolarHBondContact OD2-OG1 3.34Å; D137-G141 VanDerWaalsContact O-CA 3.27Å; D137-G141 WeakPolarHBondContact O-CA 3.3Å; D137-G141 PolarHBondContact O-N 2.92Å; D137-R142 PolarHBondContact N-O 2.83Å; D137-M144 HydrophobicContact CB-CE 3.31Å; D137-M144 HydrophobicContact CB-CG 3.76Å; D137-M144 HydrophobicContact CB-SD 4Å
138R83.6Confident86.6Confident118 Ų11870 Ų7045%0.44535%0.348SS..THydrogen-bonded Turntrans-64-26.8-174.3-160.4168.2-141-160.56.2113.4G91 S92 K94 D110 L136G91-R138 WeakPolarHBondContact O-CD 3.3Å; S92-R138 VanDerWaalsContact O-CB 3.32Å; S92-R138 WeakPolarHBondContact O-CB 3.49Å; S92-R138 PolarHBondContact O-N 2.82Å; K94-R138 HydrophobicContact CB-CB 4.41Å; K94-R138 HydrophobicContact CB-CG 4.39Å; D110-R138 VanDerWaalsContact CG-NH2 3.32Å; D110-R138 IonicContact OD1-NH2 2.69Å; D110-R138 PolarHBondContact OD1-NH2 3.25Å; D110-R138 VanDerWaalsContact OD1-NH2 3.13Å; D110-R138 IonicContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH2 3.21Å; D110-R138 PolarHBondContact OD2-NH2 3.41Å; L136-R138 PolarHBondContact O-N 3.04Å
139R82.6Confident86.4Confident220 Ų22070.2 Ų70.283%0.8335%0.348SS*.THydrogen-bonded Turntrans-89.7-35.8-179.5-167.4-174.968.5110.12.2112.4D137D137-R139 PolarHBondContact O-N 2.81Å; D137-R139 WeakPolarHBondContact OD1-CA 3.37Å; D137-R139 WeakPolarHBondContact OD1-CB 3.25Å; D137-R139 PolarHBondContact OD1-N 2.8Å
140T82.6Confident86.3Confident58 Ų5869.4 Ų69.436%0.35635%0.345SS..THydrogen-bonded Turntrans-106.7-14.7-173.567.80000114.4D137 R142D137-T140 WeakPolarHBondContact CB-OG1 3.43Å; D137-T140 PolarHBondContact O-N 3.46Å; D137-T140 PolarHBondContact OD1-N 3.28Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T140 PolarHBondContact OD2-OG1 3.34Å; T140-R142 PolarHBondContact O-N 2.85Å
141G80.1Confident86.2Confident48 Ų4870 Ų7050%0.49535%0.346SS..  trans66.69.4-176.200000114.1D137D137-G141 VanDerWaalsContact O-CA 3.27Å; D137-G141 WeakPolarHBondContact O-CA 3.3Å; D137-G141 PolarHBondContact O-N 2.92Å
142R85.1Confident86.2Confident173 Ų17370 Ų7065%0.65335%0.346SS*.  trans-83.4142.8-177.7-67.6-176.5179.3-171.4-0.6110.6L136 D137 T140 M144L136-R142 CarbonylContact C-O 3.53Å; L136-R142 WeakPolarHBondContact CA-O 3.39Å; D137-R142 PolarHBondContact N-O 2.83Å; T140-R142 PolarHBondContact O-N 2.85Å; R142-M144 HydrophobicContact CB-CE 3.84Å; R142-M144 PolarHBondContact O-N 2.75Å
143P84.8Confident86.2Confident79 Ų7968.4 Ų68.451%0.51334%0.343SS..BIsolated β-bridgetrans-6512217427.2-32.8000109.9Q134 L136Q134-P143 HydrophobicContact CG-CB 4.39Å; L136-P143 HydrophobicContact CD2-CB 3.97Å
144M84.1Confident86.2Confident64 Ų6468.4 Ų68.432%0.31534%0.341SS..SBendtrans-89.7-26.9176.2-67-64.7130.400110.9M86 A135 D137 R142M86-M144 HydrophobicContact SD-CB 4.25Å; A135-M144 PolarHBondContact O-N 3.01Å; D137-M144 HydrophobicContact CB-CE 3.31Å; D137-M144 HydrophobicContact CB-CG 3.76Å; D137-M144 HydrophobicContact CB-SD 4Å; R142-M144 HydrophobicContact CB-CE 3.84Å; R142-M144 PolarHBondContact O-N 2.75Å
145E83.8Confident86.1Confident52 Ų5267.6 Ų67.624%0.24334%0.337CS..SBendtrans-125.1154.6174.5-65.1-68.2-178.800110.8S84 A135S84-E145 WeakPolarHBondContact OG-CG 3.43Å; S84-E145 PolarHBondContact OG-OE1 2.82Å; A135-E145 HydrophobicContact CB-CB 4.19Å; A135-E145 HydrophobicContact CB-CG 4.15Å
146P84Confident86.1Confident103 Ų10367.6 Ų67.667%0.66934%0.336SS*.  trans-62151.8169.128.6-34.1000110.8S148P146-S148 PolarHBondContact O-N 2.85Å
147E85.9Confident86Confident97 Ų9769.5 Ų69.545%0.45335%0.346SS..  trans-62.4131.7173.2-172.2179.3-153.700109.9R132R132-E147 HydrophobicContact CB-CG 4Å; R132-E147 WeakPolarHBondContact CB-OE1 3.29Å; R132-E147 WeakPolarHBondContact CD-OE1 3.31Å
148S85.2Confident86Confident59 Ų5969.2 Ų69.241%0.41334%0.344SS..EExtended strand (participates in β ladder)trans-117.4121.4-177.7-172.50000110.6R132 A133 P146R132-S148 WeakPolarHBondContact CA-O 2.96Å; A133-S148 PolarHBondContact N-O 2.86Å; A133-S148 PolarHBondContact O-N 2.9Å; P146-S148 PolarHBondContact O-N 2.85Å
149E87.7Confident86.2Confident90 Ų9066.9 Ų66.942%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-88.1131.9175.7-173.6165.7-119.100110.8N63 T130 L131 R132N63-E149 WeakPolarHBondContact CB-O 3.37Å; N63-E149 PolarHBondContact ND2-O 3.06Å; T130-E149 HydrophobicContact CG2-CG 3.7Å; T130-E149 WeakPolarHBondContact CG2-OE1 3.26Å; L131-E149 CarbonylContact O-C 3.59Å; L131-E149 WeakPolarHBondContact O-CA 3.37Å; R132-E149 HydrophobicContact CG-CB 4.12Å; R132-E149 HydrophobicContact CG-CG 4.14Å; R132-E149 IonicContact CZ-OE1 3.05Å; R132-E149 IonicContact NE-OE1 2.75Å; R132-E149 PolarHBondContact NE-OE1 2.83Å; R132-E149 IonicContact NH2-OE1 3.48Å; R132-E149 PolarHBondContact NH2-OE1 3.03Å
150F87.4Confident86.5Confident6 Ų658.2 Ų58.23%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-142.5157.617769.4-86.9000111.5N63 F65 L82 L97 I115 L131 A133 I152N63-F150 HydrophobicContact CB-CB 4.08Å; N63-F150 CarbonylContact O-C 3.6Å; N63-F150 WeakPolarHBondContact O-CA 3.15Å; F65-F150 AromaticContact CD2-CD2 3.44Å; F65-F150 HydrophobicContact CD2-CD2 3.44Å; F65-F150 VanDerWaalsContact CD2-CD2 3.44Å; F65-F150 AromaticContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CG 4.38Å; F65-F150 AromaticContact CE2-CD2 3.59Å; F65-F150 HydrophobicContact CE2-CD2 3.59Å; F65-F150 AromaticContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CG 4.17Å; F65-F150 HydrophobicContact CE2-CZ 4.32Å; L82-F150 HydrophobicContact CD1-CE1 3.86Å; L82-F150 HydrophobicContact CD1-CZ 4.26Å; L97-F150 HydrophobicContact CD1-CE1 3.79Å; L97-F150 HydrophobicContact CD1-CZ 3.55Å; I115-F150 HydrophobicContact CD1-CE2 4.11Å; I115-F150 HydrophobicContact CD1-CZ 3.7Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 4Å; L131-F150 HydrophobicContact CB-CE2 3.96Å; L131-F150 HydrophobicContact CB-CZ 3.72Å; L131-F150 HydrophobicContact CD1-CE2 4.12Å; L131-F150 HydrophobicContact CD1-CZ 4.18Å; L131-F150 PolarHBondContact N-O 3.38Å; L131-F150 PolarHBondContact O-N 2.84Å; A133-F150 HydrophobicContact CB-CD1 4.44Å; A133-F150 HydrophobicContact CB-CE1 3.82Å; F150-I152 HydrophobicContact CD2-CG1 4.26Å; F150-I152 HydrophobicContact CE2-CD1 4.15Å; F150-I152 HydrophobicContact CE2-CG1 3.84Å
151I90.5Very high86.9Confident51 Ų5160 Ų6026%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-109.4134-176.4-57.8173.2000108.5N63 Q64 F65 Q128 Y129 K153N63-I151 PolarHBondContact O-N 3.45Å; Q64-I151 CarbonylContact C-O 3.54Å; Q64-I151 WeakPolarHBondContact CA-O 3.43Å; F65-I151 PolarHBondContact N-O 2.82Å; Q128-I151 HydrophobicContact CB-CG2 3.94Å; Y129-I151 CarbonylContact O-C 3.56Å; Y129-I151 VanDerWaalsContact O-CA 3.3Å; Y129-I151 WeakPolarHBondContact O-CA 3.43Å; I151-K153 HydrophobicContact CG2-CG 3.93Å
152I90.1Very high87.5Confident0 Ų057.7 Ų57.70%029%0.292CS..EExtended strand (participates in β ladder)trans-97.8113.7163.1-57.7178.3000106.4F65 V67 V79 F106 Q128 Y129 L131 F150F65-I152 HydrophobicContact CB-CG1 4.34Å; V67-I152 HydrophobicContact CB-CG2 4.3Å; V67-I152 HydrophobicContact CG2-CG2 3.61Å; V79-I152 HydrophobicContact CG1-CD1 4.03Å; V79-I152 HydrophobicContact CG1-CG1 4.38Å; V79-I152 HydrophobicContact CG1-CG2 4.36Å; F106-I152 HydrophobicContact CD1-CD1 3.51Å; F106-I152 HydrophobicContact CD2-CD1 4Å; F106-I152 HydrophobicContact CE1-CD1 3.51Å; F106-I152 HydrophobicContact CE1-CG2 4.04Å; F106-I152 HydrophobicContact CE2-CD1 4Å; F106-I152 HydrophobicContact CG-CD1 3.76Å; F106-I152 HydrophobicContact CZ-CB 4.27Å; F106-I152 HydrophobicContact CZ-CD1 3.77Å; F106-I152 HydrophobicContact CZ-CG2 3.92Å; Q128-I152 WeakPolarHBondContact CA-O 2.97Å; Y129-I152 PolarHBondContact N-O 3.48Å; Y129-I152 PolarHBondContact O-N 2.96Å; L131-I152 HydrophobicContact CD1-CD1 3.31Å; L131-I152 HydrophobicContact CD1-CG1 3.94Å; F150-I152 HydrophobicContact CD2-CG1 4.26Å; F150-I152 HydrophobicContact CE2-CD1 4.15Å; F150-I152 HydrophobicContact CE2-CG1 3.84Å
153K89.3Confident87.9Confident75 Ų7555.3 Ų55.333%0.32629%0.286SS..EExtended strand (participates in β ladder)trans-92.9129.4173.5-71.2-169.1172.2-173.60109.3F65 F66 V67 I151F65-K153 PolarHBondContact O-N 2.85Å; F66-K153 WeakPolarHBondContact CA-O 3.3Å; F66-K153 HydrophobicContact CD1-CB 3.83Å; F66-K153 HydrophobicContact CE1-CB 3.93Å; F66-K153 HydrophobicContact CE1-CD 3.88Å; F66-K153 HydrophobicContact CE1-CG 4.45Å; F66-K153 HydrophobicContact CZ-CD 4.48Å; V67-K153 PolarHBondContact N-O 3.08Å; I151-K153 HydrophobicContact CG2-CG 3.93Å
154I90.1Very high88.3Confident12 Ų1253 Ų536%0.06227%0.268CS..EExtended strand (participates in β ladder)trans-85.3131.1175-64.8164.2000108.2V67 E69 L121 R123 R126 S127 Y129V67-I154 CarbonylContact O-C 3.55Å; V67-I154 VanDerWaalsContact O-CA 3.27Å; V67-I154 WeakPolarHBondContact O-CA 3.19Å; E69-I154 HydrophobicContact CB-CG2 3.68Å; L121-I154 HydrophobicContact CB-CD1 3.98Å; L121-I154 HydrophobicContact CB-CG1 4.43Å; L121-I154 HydrophobicContact CD1-CD1 4.43Å; L121-I154 HydrophobicContact CD1-CG1 4.31Å; L121-I154 HydrophobicContact CD2-CD1 4.4Å; L121-I154 HydrophobicContact CG-CD1 4.5Å; R123-I154 HydrophobicContact CB-CB 4.35Å; R123-I154 HydrophobicContact CB-CG2 3.75Å; R123-I154 HydrophobicContact CG-CB 4.16Å; R123-I154 HydrophobicContact CG-CG2 4.04Å; R126-I154 WeakPolarHBondContact O-CD1 3.36Å; S127-I154 PolarHBondContact O-N 2.84Å; Y129-I154 HydrophobicContact CD2-CD1 3.94Å; Y129-I154 HydrophobicContact CE2-CD1 3.49Å; Y129-I154 VanDerWaalsContact CE2-CD1 3.49Å
155Q87.1Confident88.1Confident48 Ų4855.1 Ų55.122%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-91.6130.5176.1-74.2-175-2600109.4F66 V67 L68 E69 Y196F66-Q155 HydrophobicContact CB-CG 4.12Å; F66-Q155 HydrophobicContact CD1-CG 4.1Å; V67-Q155 PolarHBondContact O-N 2.88Å; L68-Q155 HydrophobicContact CD2-CB 3.7Å; L68-Q155 HydrophobicContact CG-CB 4.39Å; E69-Q155 PolarHBondContact N-O 2.85Å; E69-Q155 VanDerWaalsContact N-O 3.16Å; Q155-Y196 HydrophobicContact CB-CE1 4.4Å; Q155-Y196 HydrophobicContact CB-CE2 4.44Å; Q155-Y196 VanDerWaalsContact CD-OH 3.23Å; Q155-Y196 HydrophobicContact CG-CE2 4.09Å; Q155-Y196 PolarHBondContact NE2-OH 3.49Å; Q155-Y196 PolarHBondContact OE1-OH 3.33Å
156D87.8Confident88Confident6 Ų658.4 Ų58.43%0.03230%0.299CS..PPolyproline II helixtrans-66.6141.1-178.3-169.588.7000112.4E69 R123 D193 Y196 S199E69-D156 WeakPolarHBondContact OE1-CA 3.33Å; R123-D156 IonicContact CZ-OD1 3.25Å; R123-D156 IonicContact NE-OD1 3.82Å; R123-D156 PolarHBondContact NE-OD1 2.92Å; R123-D156 IonicContact NH1-OD1 3.13Å; R123-D156 PolarHBondContact NH1-OD1 3.12Å; D156-D193 HydrophobicContact CB-CB 3.77Å; D156-D193 VanDerWaalsContact CG-N 3.29Å; D156-D193 WeakPolarHBondContact OD1-CB 3.32Å; D156-D193 PolarHBondContact OD1-N 2.88Å; D156-D193 PolarHBondContact OD2-N 3.12Å; D156-Y196 HydrophobicContact CB-CD1 3.82Å; D156-Y196 HydrophobicContact CB-CG 4.21Å; D156-Y196 WeakPolarHBondContact O-CD1 3.46Å; D156-Y196 WeakPolarHBondContact O-CE1 3.4Å; D156-S199 WeakPolarHBondContact OD2-CB 3.24Å; D156-S199 PolarHBondContact OD2-OG 3.36Å
157I87.1Confident87.8Confident66 Ų6655.6 Ų55.634%0.33829%0.288SS..  trans-122.1141.1168.8-66.1178.3000106.6L68 E69 D159L68-I157 HydrophobicContact CB-CD1 4.44Å; L68-I157 HydrophobicContact CD2-CG1 4.36Å; E69-I157 HydrophobicContact CG-CB 3.91Å; E69-I157 HydrophobicContact CG-CD1 3.99Å; E69-I157 HydrophobicContact CG-CG1 3.91Å; E69-I157 WeakPolarHBondContact O-CD1 3.26Å; E69-I157 PolarHBondContact OE1-N 3.31Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 2.79Å
158N87.2Confident87.9Confident29 Ų2955.6 Ų55.616%0.15530%0.297CS..SBendtrans-76.380.3-179.4-170.9105.8000112D192 S199 D245 M246N158-D192 VanDerWaalsContact CA-OD2 3.22Å; N158-D192 WeakPolarHBondContact CA-OD2 3.3Å; N158-S199 VanDerWaalsContact OD1-CA 3.25Å; N158-S199 WeakPolarHBondContact OD1-CA 3.12Å; N158-S199 PolarHBondContact OD1-O 2.92Å; N158-D245 PolarHBondContact ND2-OD2 3.02Å; N158-D245 PolarHBondContact OD1-OD2 3.44Å; N158-M246 HydrophobicContact CB-CE 3.48Å; N158-M246 VanDerWaalsContact CB-CE 3.48Å
159D86.8Confident88.3Confident68 Ų6853.7 Ų53.736%0.36428%0.281SS..  trans-113.3-8.7-177.375-27000113.8I157 D192I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 2.79Å; D159-D192 PolarHBondContact N-OD2 2.87Å
160N89.6Confident88.7Confident38 Ų3854.4 Ų54.420%0.20329%0.291CS..PPolyproline II helixtrans-101.3136.6171.3-63.5-84.5000111.7A191 D192N160-A191 HydrophobicContact CB-CB 3.96Å; N160-D192 VanDerWaalsContact CB-OD1 3.27Å; N160-D192 WeakPolarHBondContact CB-OD1 3.48Å; N160-D192 PolarHBondContact N-OD1 2.77Å; N160-D192 PolarHBondContact ND2-OD1 2.9Å
161E91.1Very high89Confident95 Ų9554.8 Ų54.844%0.44430%0.295SS..PPolyproline II helixtrans-89.1150.7172.469-177.2-178.900111.7K163 L253E161-K163 PolarHBondContact O-N 2.92Å; E161-L253 HydrophobicContact CB-CB 3.65Å; E161-L253 HydrophobicContact CB-CD1 4.28Å
162P93.7Very high89.3Confident1 Ų156 Ų561%0.00631%0.309CS..PPolyproline II helixtrans-60.4129.6175.1-22.930.6000112.1A188 D190 V202 A243 D245 G255P162-A188 HydrophobicContact CB-CB 4.28Å; P162-D190 WeakPolarHBondContact CD-OD2 3.37Å; P162-D190 VanDerWaalsContact CG-OD2 3.32Å; P162-D190 WeakPolarHBondContact CG-OD2 3.41Å; P162-V202 HydrophobicContact CB-CG1 4.3Å; P162-V202 HydrophobicContact CB-CG2 3.98Å; P162-V202 HydrophobicContact CG-CG1 4.47Å; P162-V202 HydrophobicContact CG-CG2 3.99Å; P162-A243 HydrophobicContact CB-CB 3.91Å; P162-D245 HydrophobicContact CG-CB 3.75Å; P162-G255 WeakPolarHBondContact O-CA 3.49Å
163K92.4Very high89.5Confident122 Ų12256.2 Ų56.253%0.5331%0.31SS..EExtended strand (participates in β ladder)trans-114.4132.4179.3-69.5173.2-173.1165.60111.7E161 A188 T189E161-K163 PolarHBondContact O-N 2.92Å; K163-A188 CarbonylContact O-C 3.54Å; K163-A188 VanDerWaalsContact O-CA 3.22Å; K163-A188 WeakPolarHBondContact O-CA 3.29Å; K163-T189 PolarHBondContact N-O 2.77Å; K163-T189 PolarHBondContact O-N 3Å
164F92.6Very high89.7Confident32 Ų3255.7 Ų55.714%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-78.4139.6173.6-69.4-86.4000110.9Y169 V186 A188 Y204 I241 A243 T257F164-Y169 HydrophobicContact CB-CE2 4.44Å; F164-Y169 HydrophobicContact CD1-CE2 4.34Å; F164-V186 HydrophobicContact CD1-CB 4.43Å; F164-V186 HydrophobicContact CE1-CB 4.22Å; F164-V186 HydrophobicContact CE1-CG2 4.06Å; F164-A188 HydrophobicContact CD1-CB 3.83Å; F164-A188 HydrophobicContact CD2-CB 4.38Å; F164-A188 HydrophobicContact CE1-CB 3.88Å; F164-A188 HydrophobicContact CE2-CB 4.41Å; F164-A188 HydrophobicContact CG-CB 4.1Å; F164-A188 HydrophobicContact CZ-CB 4.17Å; F164-Y204 HydrophobicContact CE1-CD1 4.24Å; F164-Y204 AromaticContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CZ-CD1 4.41Å; F164-Y204 HydrophobicContact CZ-CE1 4.35Å; F164-I241 HydrophobicContact CE1-CG2 4.39Å; F164-I241 HydrophobicContact CZ-CG2 4.07Å; F164-A243 HydrophobicContact CE1-CB 4.18Å; F164-A243 HydrophobicContact CE2-CB 3.67Å; F164-A243 HydrophobicContact CZ-CB 3.39Å; F164-T257 HydrophobicContact CB-CG2 4.41Å; F164-T257 HydrophobicContact CD1-CG2 3.56Å; F164-T257 HydrophobicContact CD2-CG2 3.74Å; F164-T257 HydrophobicContact CE1-CG2 3.58Å; F164-T257 HydrophobicContact CE2-CG2 3.77Å; F164-T257 HydrophobicContact CG-CG2 3.63Å; F164-T257 HydrophobicContact CZ-CG2 3.68Å
165L81.9Confident89.8Confident107 Ų10755.3 Ų55.356%0.5631%0.312SS*.SBendtrans-79.3-42.7-174.5-62.8172.3000113.2T187 T189L165-T187 PolarHBondContact N-O 3.08Å; L165-T189 HydrophobicContact CD1-CG2 4.1Å; L165-T189 HydrophobicContact CD2-CG2 4.33Å; L165-T189 HydrophobicContact CG-CG2 4.36Å
166D81.2Confident89.8Confident122 Ų12255.5 Ų55.565%0.65231%0.313SS*.SBendtrans-123.330.5-167.6-55.6-54.4000114Y169D166-Y169 HydrophobicContact CB-CD1 4.49Å; D166-Y169 HydrophobicContact CB-CE1 3.72Å; D166-Y169 PolarHBondContact N-OH 3.16Å
167G79.9Confident90Very high43 Ų4356 Ų5644%0.44332%0.318SS..PPolyproline II helixtrans-78.9142.9-179.300000113.7
168P87.7Confident90.2Very high98 Ų9857.1 Ų57.164%0.63633%0.329SS*.SBendcis-81.4145.41.332.2-34.3000113.8
169Y93.8Very high90.5Very high19 Ų1959.9 Ų59.98%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-93.2146.9-177.3-61.6-95.6000111.7F164 D166 I184 V186 T257 T258 V259 N260F164-Y169 HydrophobicContact CB-CE2 4.44Å; F164-Y169 HydrophobicContact CD1-CE2 4.34Å; D166-Y169 HydrophobicContact CB-CD1 4.49Å; D166-Y169 HydrophobicContact CB-CE1 3.72Å; D166-Y169 PolarHBondContact N-OH 3.16Å; Y169-I184 HydrophobicContact CD1-CD1 4.17Å; Y169-V186 HydrophobicContact CD1-CG1 4.12Å; Y169-V186 HydrophobicContact CD2-CG1 3.8Å; Y169-V186 HydrophobicContact CE1-CG1 4.2Å; Y169-V186 HydrophobicContact CE2-CB 4.29Å; Y169-V186 HydrophobicContact CE2-CG1 3.93Å; Y169-V186 HydrophobicContact CG-CG1 3.92Å; Y169-T257 HydrophobicContact CD2-CG2 4.06Å; Y169-T257 HydrophobicContact CE2-CG2 3.88Å; Y169-T258 PolarHBondContact N-O 2.9Å; Y169-V259 HydrophobicContact CD2-CG2 4.32Å; Y169-V259 CarbonylContact O-C 3.53Å; Y169-V259 WeakPolarHBondContact O-CA 3.3Å; Y169-N260 PolarHBondContact O-N 2.94Å
170V95.1Very high90.7Very high105 Ų10558 Ų5864%0.63634%0.343SS*.EExtended strand (participates in β ladder)trans-125134.7173.2-176.40000109N260V170-N260 WeakPolarHBondContact CA-O 3.35Å
171A94.9Very high91Very high13 Ų1358 Ų5811%0.10734%0.344CS..EExtended strand (participates in β ladder)trans-143.2155.1177.200000110.8V183 I184 N260 I261 T262A171-V183 HydrophobicContact CB-CG1 3.69Å; A171-I184 HydrophobicContact CB-CB 3.91Å; A171-I184 HydrophobicContact CB-CD1 4.11Å; A171-I184 HydrophobicContact CB-CG2 4Å; A171-N260 PolarHBondContact N-O 2.95Å; A171-I261 VanDerWaalsContact O-CA 3.3Å; A171-I261 WeakPolarHBondContact O-CA 3.41Å; A171-T262 PolarHBondContact O-N 3.26Å
172S95.4Very high91.2Very high78 Ų7857 Ų5755%0.54535%0.348SS..EExtended strand (participates in β ladder)trans-122.1146.5169.161.20000110.6T262S172-T262 VanDerWaalsContact CA-O 3.22Å; S172-T262 WeakPolarHBondContact CA-O 3.23Å
173V95.2Very high91.3Very high3 Ų358 Ų582%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-138136.317562.60000109.2E175 T181 V183 T224 I261 T262 L263 S264V173-E175 PolarHBondContact O-N 2.88Å; V173-T181 HydrophobicContact CG2-CG2 4.19Å; V173-V183 HydrophobicContact CB-CG1 4.42Å; V173-V183 HydrophobicContact CB-CG2 4.18Å; V173-V183 HydrophobicContact CG1-CG2 4.37Å; V173-V183 HydrophobicContact CG2-CG2 4.21Å; V173-T224 HydrophobicContact CG2-CG2 4.11Å; V173-I261 HydrophobicContact CG1-CG2 3.86Å; V173-T262 PolarHBondContact N-O 3.08Å; V173-L263 HydrophobicContact CG1-CD2 3.56Å; V173-L263 CarbonylContact O-C 3.56Å; V173-L263 VanDerWaalsContact O-CA 3.28Å; V173-L263 WeakPolarHBondContact O-CA 3.28Å; V173-S264 PolarHBondContact O-N 3.2Å
174P92.4Very high91.4Very high64 Ų6454.1 Ų54.142%0.41634%0.338SS..EExtended strand (participates in β ladder)trans-57138.2173.9-24.734.5000111.4S177 S264 V266P174-S177 VanDerWaalsContact O-CB 3.25Å; P174-S177 WeakPolarHBondContact O-CB 3.47Å; P174-S177 PolarHBondContact O-OG 3.05Å; P174-S264 WeakPolarHBondContact CA-O 3.4Å; P174-S264 WeakPolarHBondContact CA-OG 3.29Å; P174-V266 HydrophobicContact CB-CG2 4.1Å
175E92.4Very high91.5Very high4 Ų457.8 Ų57.82%0.01936%0.356CS..THydrogen-bonded Turntrans-62.7167.716976.8-172.7122.900111.8V173 S177 M229 R231 L263 S264 D265 V266V173-E175 PolarHBondContact O-N 2.88Å; E175-S177 PolarHBondContact O-N 3.42Å; E175-M229 WeakPolarHBondContact CB-O 3.42Å; E175-R231 HydrophobicContact CB-CB 4.35Å; E175-R231 VanDerWaalsContact OE2-CB 3.23Å; E175-R231 WeakPolarHBondContact OE2-CB 3.21Å; E175-R231 PolarHBondContact OE2-N 3.44Å; E175-L263 HydrophobicContact CB-CB 4.43Å; E175-L263 HydrophobicContact CB-CD1 4.29Å; E175-S264 PolarHBondContact N-O 3.49Å; E175-S264 VanDerWaalsContact N-O 3.12Å; E175-D265 WeakPolarHBondContact OE1-CA 3.48Å; E175-V266 HydrophobicContact CG-CB 3.82Å; E175-V266 HydrophobicContact CG-CG2 3.92Å; E175-V266 PolarHBondContact OE1-N 3.29Å
176M88.3Confident92.1Very high53 Ų5352.7 Ų52.726%0.26133%0.33SS..THydrogen-bonded Turntrans5214.6-172.3-60.2-160.917700114.8M229 D268 F363 L366M176-M229 PolarHBondContact N-O 3.32Å; M176-D268 HydrophobicContact CE-CB 3.85Å; M176-D268 WeakPolarHBondContact CE-OD2 3.13Å; M176-D268 HydrophobicContact SD-CB 4.11Å; M176-F363 HydrophobicContact CB-CE1 4.43Å; M176-F363 HydrophobicContact SD-CE1 4.17Å; M176-L366 HydrophobicContact CE-CD1 4.5Å; M176-L366 HydrophobicContact SD-CD1 4.22Å
177S90.6Very high92.7Very high17 Ų1749.9 Ų49.912%0.11932%0.317CS..PPolyproline II helixtrans-58.3137177.3-800000110.5P174 E175P174-S177 VanDerWaalsContact O-CB 3.25Å; P174-S177 WeakPolarHBondContact O-CB 3.47Å; P174-S177 PolarHBondContact O-OG 3.05Å; E175-S177 PolarHBondContact O-N 3.42Å
178P91.5Very high93.2Very high89 Ų8948.3 Ų48.358%0.57830%0.299SS*.PPolyproline II helixtrans-63.1153.9177.627-33.6000110.5G180 T181 T224P178-G180 PolarHBondContact O-N 3.32Å; P178-T181 WeakPolarHBondContact CD-OG1 3.41Å; P178-T181 WeakPolarHBondContact O-CB 3.4Å; P178-T181 PolarHBondContact O-N 2.99Å; P178-T181 PolarHBondContact O-OG1 2.84Å; P178-T224 PolarHBondContact O-OG1 3.01Å
179V93.3Very high93.4Very high87 Ų8746.9 Ų46.953%0.52729%0.289SS..THydrogen-bonded Turntrans-57.8132.8175.7178.40000109.9M227V179-M227 HydrophobicContact CG2-CB 3.96Å
180G92.6Very high93.3Very high27 Ų2747.2 Ų47.228%0.27829%0.292SS..THydrogen-bonded Turntrans95.72.6-179.500000114.8P178 S182 R223 T224P178-G180 PolarHBondContact O-N 3.32Å; G180-S182 PolarHBondContact O-N 2.57Å; G180-R223 PolarHBondContact O-NH1 3.18Å; G180-T224 PolarHBondContact N-O 2.99Å; G180-T224 PolarHBondContact N-OG1 3.03Å
181T94.6Very high93.1Very high38 Ų3844.9 Ų44.923%0.23328%0.284CS..  trans-63.1128.6174.7-60.20000109.8V173 P178 R223 T224V173-T181 HydrophobicContact CG2-CG2 4.19Å; P178-T181 WeakPolarHBondContact CD-OG1 3.41Å; P178-T181 WeakPolarHBondContact O-CB 3.4Å; P178-T181 PolarHBondContact O-N 2.99Å; P178-T181 PolarHBondContact O-OG1 2.84Å; T181-R223 CarbonylContact O-C 3.56Å; T181-R223 WeakPolarHBondContact O-CA 3.47Å; T181-T224 WeakPolarHBondContact CB-OG1 3.07Å; T181-T224 PolarHBondContact N-OG1 2.93Å; T181-T224 VanDerWaalsContact N-OG1 3.09Å; T181-T224 PolarHBondContact O-N 3.38Å
182S95.6Very high92.8Very high74 Ų7444.5 Ų44.552%0.51728%0.28SS..EExtended strand (participates in β ladder)trans-72.2126.417950.50000110.9G180G180-S182 PolarHBondContact O-N 2.57Å
183V95.6Very high92.3Very high24 Ų2442.3 Ų42.315%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-98-63179-177.70000110.3A171 V173 F213 I222 T224 I261A171-V183 HydrophobicContact CB-CG1 3.69Å; V173-V183 HydrophobicContact CB-CG1 4.42Å; V173-V183 HydrophobicContact CB-CG2 4.18Å; V173-V183 HydrophobicContact CG1-CG2 4.37Å; V173-V183 HydrophobicContact CG2-CG2 4.21Å; V183-F213 HydrophobicContact CG2-CD1 4.24Å; V183-F213 HydrophobicContact CG2-CE1 4.08Å; V183-I222 PolarHBondContact N-O 2.95Å; V183-T224 HydrophobicContact CG2-CG2 4.15Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.22Å; V183-I261 HydrophobicContact CG1-CG2 4.05Å
184I95Very high91.5Very high39 Ų3947.1 Ų47.120%0.229%0.294CS..EExtended strand (participates in β ladder)trans-157.5154.3-179-170.8163.7000109.7Y169 A171 I222 V259Y169-I184 HydrophobicContact CD1-CD1 4.17Å; A171-I184 HydrophobicContact CB-CB 3.91Å; A171-I184 HydrophobicContact CB-CD1 4.11Å; A171-I184 HydrophobicContact CB-CG2 4Å; I184-I222 HydrophobicContact CG2-CB 4.43Å; I184-I222 HydrophobicContact CG2-CD1 4.01Å; I184-I222 PolarHBondContact O-N 2.84Å; I184-V259 HydrophobicContact CG2-CG1 3.85Å
185Q94.6Very high90.7Very high110 Ų11049.8 Ų49.851%0.51431%0.309SS..EExtended strand (participates in β ladder)trans-108.4122172.7-173.3175.8-1.800109.8T219 L221Q185-T219 WeakPolarHBondContact CG-O 3.49Å; Q185-T219 PolarHBondContact NE2-O 3.36Å; Q185-L221 HydrophobicContact CB-CD1 4.03Å; Q185-L221 HydrophobicContact CG-CB 4.48Å
186V94.1Very high89.7Confident0 Ų054 Ų540%033%0.325CS..  trans-99.4143.1174.5-62.70000110.2F164 Y169 Y204 G220 I222 I241 V259F164-V186 HydrophobicContact CD1-CB 4.43Å; F164-V186 HydrophobicContact CE1-CB 4.22Å; F164-V186 HydrophobicContact CE1-CG2 4.06Å; Y169-V186 HydrophobicContact CD1-CG1 4.12Å; Y169-V186 HydrophobicContact CD2-CG1 3.8Å; Y169-V186 HydrophobicContact CE1-CG1 4.2Å; Y169-V186 HydrophobicContact CE2-CB 4.29Å; Y169-V186 HydrophobicContact CE2-CG1 3.93Å; Y169-V186 HydrophobicContact CG-CG1 3.92Å; V186-Y204 HydrophobicContact CG2-CD1 4.34Å; V186-Y204 HydrophobicContact CG2-CE1 4.44Å; V186-G220 WeakPolarHBondContact CG2-O 3.4Å; V186-G220 PolarHBondContact N-O 3.06Å; V186-I222 HydrophobicContact CG1-CD1 4.32Å; V186-I241 HydrophobicContact CG2-CG1 4.47Å; V186-I241 HydrophobicContact CG2-CG2 4.03Å; V186-V259 HydrophobicContact CG1-CG2 3.93Å
187T93.4Very high88.9Confident63 Ų6354.3 Ų54.339%0.38734%0.342SS..  trans-127.5127.7-179.8-530000110.1L165L165-T187 PolarHBondContact N-O 3.08Å
188A92.3Very high88.3Confident9 Ų956.3 Ų56.37%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-113.7144.1168.400000109.7P162 K163 F164 V202 Y204 A243P162-A188 HydrophobicContact CB-CB 4.28Å; K163-A188 CarbonylContact O-C 3.54Å; K163-A188 VanDerWaalsContact O-CA 3.22Å; K163-A188 WeakPolarHBondContact O-CA 3.29Å; F164-A188 HydrophobicContact CD1-CB 3.83Å; F164-A188 HydrophobicContact CD2-CB 4.38Å; F164-A188 HydrophobicContact CE1-CB 3.88Å; F164-A188 HydrophobicContact CE2-CB 4.41Å; F164-A188 HydrophobicContact CG-CB 4.1Å; F164-A188 HydrophobicContact CZ-CB 4.17Å; A188-V202 HydrophobicContact CB-CG1 4.43Å; A188-Y204 HydrophobicContact CB-CE1 3.98Å; A188-Y204 PolarHBondContact N-OH 3.06Å; A188-Y204 PolarHBondContact O-OH 2.8Å; A188-A243 HydrophobicContact CB-CB 3.51Å
189T90.8Very high87.7Confident69 Ų6952.3 Ų52.342%0.42333%0.326SS..EExtended strand (participates in β ladder)trans-118.8138.1177.253.40000109.5K163 L165K163-T189 PolarHBondContact N-O 2.77Å; K163-T189 PolarHBondContact O-N 3Å; L165-T189 HydrophobicContact CD1-CG2 4.1Å; L165-T189 HydrophobicContact CD2-CG2 4.33Å; L165-T189 HydrophobicContact CG-CG2 4.36Å
190D91.4Very high87.2Confident25 Ų2549 Ų4913%0.13431%0.308CS..  trans-107.9142.6174.1-157.3-57.6000108.8P162 D192 A200 V202 D245P162-D190 WeakPolarHBondContact CD-OD2 3.37Å; P162-D190 VanDerWaalsContact CG-OD2 3.32Å; P162-D190 WeakPolarHBondContact CG-OD2 3.41Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 3.32Å; D190-A200 HydrophobicContact CB-CB 4.13Å; D190-V202 HydrophobicContact CB-CG2 4.04Å; D190-D245 WeakPolarHBondContact OD2-CB 3.49Å
191A90.3Very high86.9Confident57 Ų5754.4 Ų54.447%0.47132%0.32SS..  trans-85-17.9-177.700000112.6R123 E124 N160R123-A191 PolarHBondContact NH1-O 2.93Å; E124-A191 HydrophobicContact CG-CB 4.01Å; N160-A191 HydrophobicContact CB-CB 3.96Å
192D89.6Confident86.8Confident4 Ų453.8 Ų53.82%0.02132%0.316CS..SBendtrans-70.4174.8-177.6-62.7-13.3000112.4R123 N158 D159 N160 D190 P194 A200R123-D192 VanDerWaalsContact NH1-CA 3.31Å; N158-D192 VanDerWaalsContact CA-OD2 3.22Å; N158-D192 WeakPolarHBondContact CA-OD2 3.3Å; D159-D192 PolarHBondContact N-OD2 2.87Å; N160-D192 VanDerWaalsContact CB-OD1 3.27Å; N160-D192 WeakPolarHBondContact CB-OD1 3.48Å; N160-D192 PolarHBondContact N-OD1 2.77Å; N160-D192 PolarHBondContact ND2-OD1 2.9Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 3.32Å; D192-P194 WeakPolarHBondContact O-CD 3.46Å; D192-A200 HydrophobicContact CB-CB 4.27Å; D192-A200 WeakPolarHBondContact O-CB 3.44Å
193D84.5Confident86.7Confident32 Ų3251.9 Ų51.917%0.17130%0.301CS..  trans-82.3120.1-169.5-164.7-33.3000110.1R123 D156 T195 Y196R123-D193 VanDerWaalsContact NH1-CA 3.3Å; R123-D193 VanDerWaalsContact NH2-CG 3.29Å; R123-D193 IonicContact NH2-OD2 2.79Å; R123-D193 PolarHBondContact NH2-OD2 3.21Å; D156-D193 HydrophobicContact CB-CB 3.77Å; D156-D193 VanDerWaalsContact CG-N 3.29Å; D156-D193 WeakPolarHBondContact OD1-CB 3.32Å; D156-D193 PolarHBondContact OD1-N 2.88Å; D156-D193 PolarHBondContact OD2-N 3.12Å; D193-T195 PolarHBondContact O-N 2.91Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.21Å; D193-T195 PolarHBondContact OD1-N 3.03Å; D193-T195 PolarHBondContact OD1-OG1 3.08Å; D193-T195 PolarHBondContact OD2-OG1 2.7Å; D193-Y196 PolarHBondContact O-N 3.22Å
194P78.2Confident86.6Confident104 Ų10451.5 Ų51.568%0.67530%0.297SS*.SBendtrans-70.8-13.7177.929.6-35.9000113.6D192 A200D192-P194 WeakPolarHBondContact O-CD 3.46Å; P194-A200 HydrophobicContact CB-CB 4.12Å
195T76.6Confident86.6Confident121 Ų12151.6 Ų51.674%0.74230%0.301SS*.SBendtrans-99.5-20.2-178.1700000113.5D193D193-T195 PolarHBondContact O-N 2.91Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.21Å; D193-T195 PolarHBondContact OD1-N 3.03Å; D193-T195 PolarHBondContact OD1-OG1 3.08Å; D193-T195 PolarHBondContact OD2-OG1 2.7Å
196Y71.4Confident86.7Confident92 Ų9247.3 Ų47.336%0.36128%0.282SS..SBendtrans-97.992.5-179.1-164.1-99.5000110.6Q155 D156 D193 S199Q155-Y196 HydrophobicContact CB-CE1 4.4Å; Q155-Y196 HydrophobicContact CB-CE2 4.44Å; Q155-Y196 VanDerWaalsContact CD-OH 3.23Å; Q155-Y196 HydrophobicContact CG-CE2 4.09Å; Q155-Y196 PolarHBondContact NE2-OH 3.49Å; Q155-Y196 PolarHBondContact OE1-OH 3.33Å; D156-Y196 HydrophobicContact CB-CD1 3.82Å; D156-Y196 HydrophobicContact CB-CG 4.21Å; D156-Y196 WeakPolarHBondContact O-CD1 3.46Å; D156-Y196 WeakPolarHBondContact O-CE1 3.4Å; D193-Y196 PolarHBondContact O-N 3.22Å; Y196-S199 PolarHBondContact O-OG 3Å
197G70.3Confident86.7Confident60 Ų6051.9 Ų51.962%0.61931%0.306SS*.THydrogen-bonded Turntrans75.4-143.8-17900000112.9
198N78.3Confident86.7Confident58 Ų5853.5 Ų53.531%0.3131%0.309SS..THydrogen-bonded Turntrans-109.611.6175.8-72-43.7000111.8A200 R201 M246N198-A200 PolarHBondContact O-N 2.78Å; N198-R201 HydrophobicContact CB-CB 4.34Å; N198-R201 VanDerWaalsContact O-CB 3.27Å; N198-R201 WeakPolarHBondContact O-CB 3.35Å; N198-R201 PolarHBondContact O-N 2.85Å; N198-M246 HydrophobicContact CB-SD 4.25Å; N198-M246 WeakPolarHBondContact O-CA 3.49Å; N198-M246 PolarHBondContact O-N 2.98Å
199S79.4Confident86.6Confident6 Ų653.7 Ų53.74%0.04231%0.311CS..THydrogen-bonded Turntrans-51.4-63.4-170.6-480000111.2D156 N158 Y196 R201 D245 M246D156-S199 WeakPolarHBondContact OD2-CB 3.24Å; D156-S199 PolarHBondContact OD2-OG 3.36Å; N158-S199 VanDerWaalsContact OD1-CA 3.25Å; N158-S199 WeakPolarHBondContact OD1-CA 3.12Å; N158-S199 PolarHBondContact OD1-O 2.92Å; Y196-S199 PolarHBondContact O-OG 3Å; S199-R201 PolarHBondContact O-N 3.39Å; S199-D245 WeakPolarHBondContact O-CB 3.33Å; S199-M246 PolarHBondContact O-N 2.88Å
200A82.1Confident86.7Confident18 Ų1857 Ų5715%0.14932%0.322CS..THydrogen-bonded Turntrans-75.57.3179.400000115.7D190 D192 P194 N198 V202D190-A200 HydrophobicContact CB-CB 4.13Å; D192-A200 HydrophobicContact CB-CB 4.27Å; D192-A200 WeakPolarHBondContact O-CB 3.44Å; P194-A200 HydrophobicContact CB-CB 4.12Å; N198-A200 PolarHBondContact O-N 2.78Å; A200-V202 PolarHBondContact O-N 3.37Å; A200-V202 VanDerWaalsContact O-N 3.16Å
201R87.8Confident86.7Confident140 Ų14059.9 Ų59.953%0.52834%0.342SS..  trans-8594.6-175.5-172.6-178.9174.5-177.4-2.2110.8N198 S199 D245 M246 G247N198-R201 HydrophobicContact CB-CB 4.34Å; N198-R201 VanDerWaalsContact O-CB 3.27Å; N198-R201 WeakPolarHBondContact O-CB 3.35Å; N198-R201 PolarHBondContact O-N 2.85Å; S199-R201 PolarHBondContact O-N 3.39Å; R201-D245 CarbonylContact O-C 3.59Å; R201-M246 PolarHBondContact O-N 2.54Å; R201-G247 WeakPolarHBondContact O-CA 3.49Å; R201-G247 PolarHBondContact O-N 3.15Å
202V91.1Very high86.9Confident24 Ų2460.8 Ų60.815%0.14533%0.334CS..  trans-75.3137.8179.3-173.90000112.7P162 A188 D190 A200 Y204 A243 K244P162-V202 HydrophobicContact CB-CG1 4.3Å; P162-V202 HydrophobicContact CB-CG2 3.98Å; P162-V202 HydrophobicContact CG-CG1 4.47Å; P162-V202 HydrophobicContact CG-CG2 3.99Å; A188-V202 HydrophobicContact CB-CG1 4.43Å; D190-V202 HydrophobicContact CB-CG2 4.04Å; A200-V202 PolarHBondContact O-N 3.37Å; A200-V202 VanDerWaalsContact O-N 3.16Å; V202-Y204 HydrophobicContact CG1-CE1 4.33Å; V202-Y204 HydrophobicContact CG1-CE2 4.34Å; V202-A243 HydrophobicContact CG1-CB 3.61Å; V202-K244 CarbonylContact C-O 3.55Å; V202-K244 WeakPolarHBondContact CA-O 3.3Å
203V93.1Very high87.2Confident34 Ų3460.7 Ų60.721%0.20633%0.333CS..EExtended strand (participates in β ladder)trans-125.4129.2170.6174.80000109.6S217 K244 G247V203-S217 WeakPolarHBondContact CA-O 3.39Å; V203-K244 PolarHBondContact N-O 2.86Å; V203-K244 PolarHBondContact O-N 2.77Å; V203-G247 VanDerWaalsContact CG2-C 3.44Å
204Y94.8Very high87.7Confident17 Ų1761.4 Ų61.47%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-90140.4179.9-58.1-87.1000111.9F164 V186 A188 V202 S217 I241 Q242 A243F164-Y204 HydrophobicContact CE1-CD1 4.24Å; F164-Y204 AromaticContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CZ-CD1 4.41Å; F164-Y204 HydrophobicContact CZ-CE1 4.35Å; V186-Y204 HydrophobicContact CG2-CD1 4.34Å; V186-Y204 HydrophobicContact CG2-CE1 4.44Å; A188-Y204 HydrophobicContact CB-CE1 3.98Å; A188-Y204 PolarHBondContact N-OH 3.06Å; A188-Y204 PolarHBondContact O-OH 2.8Å; V202-Y204 HydrophobicContact CG1-CE1 4.33Å; V202-Y204 HydrophobicContact CG1-CE2 4.34Å; Y204-S217 PolarHBondContact N-O 3.17Å; Y204-S217 WeakPolarHBondContact O-CA 3.4Å; Y204-I241 HydrophobicContact CD1-CG2 4.26Å; Y204-Q242 CarbonylContact C-O 3.56Å; Y204-Q242 WeakPolarHBondContact CA-O 3.32Å; Y204-A243 HydrophobicContact CD1-CB 4.14Å; Y204-A243 HydrophobicContact CE1-CB 4.06Å
205S94.8Very high88.6Confident41 Ų4157.7 Ų57.729%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-143.3158.6174.667.60000111.2Q242S205-Q242 PolarHBondContact N-O 2.78Å; S205-Q242 PolarHBondContact O-N 3.3Å
206I95.9Very high89.5Confident20 Ų2054.7 Ų54.710%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-99.2123.7175.6-61.8178.9000108.3Q208 Q210 F213 V215 V239 I241I206-Q208 VanDerWaalsContact CG2-C 3.5Å; I206-Q208 WeakPolarHBondContact CG2-O 3.36Å; I206-Q210 HydrophobicContact CB-CG 4.27Å; I206-Q210 HydrophobicContact CG2-CG 4.03Å; I206-F213 HydrophobicContact CD1-CB 4.3Å; I206-F213 VanDerWaalsContact CD1-O 3.3Å; I206-F213 WeakPolarHBondContact CD1-O 3.5Å; I206-V215 HydrophobicContact CD1-CB 4.15Å; I206-V215 HydrophobicContact CD1-CG1 4.28Å; I206-V215 HydrophobicContact CG1-CB 3.94Å; I206-V215 HydrophobicContact CG1-CG1 3.68Å; I206-V239 HydrophobicContact CG2-CG1 4.16Å; I206-I241 HydrophobicContact CD1-CD1 4.48Å; I206-I241 HydrophobicContact CG1-CD1 3.69Å
207L94.1Very high90.6Very high96 Ų9653.1 Ų53.150%0.50330%0.298SS..EExtended strand (participates in β ladder)trans-88-37.8171.3-64.4-179.2000111.6I240 Q242 T256L207-I240 HydrophobicContact CB-CB 4.36Å; L207-I240 HydrophobicContact CB-CG2 4.2Å; L207-I240 HydrophobicContact CD1-CG2 4.22Å; L207-I240 PolarHBondContact N-O 2.75Å; L207-Q242 HydrophobicContact CD1-CB 3.9Å; L207-Q242 HydrophobicContact CD2-CB 4.29Å; L207-Q242 HydrophobicContact CG-CB 3.82Å; L207-T256 HydrophobicContact CD1-CG2 3.76Å
208Q94.8Very high91.6Very high96 Ų9659.4 Ų59.445%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-141.6137.8179.3-179.2175.5-25.400109.5I206 V239 I240I206-Q208 VanDerWaalsContact CG2-C 3.5Å; I206-Q208 WeakPolarHBondContact CG2-O 3.36Å; Q208-V239 CarbonylContact O-C 3.47Å; Q208-V239 VanDerWaalsContact O-CA 3.28Å; Q208-V239 WeakPolarHBondContact O-CA 3.37Å; Q208-V239 WeakPolarHBondContact O-CG1 3.48Å; Q208-I240 HydrophobicContact CB-CB 4.02Å; Q208-I240 HydrophobicContact CB-CD1 4.07Å; Q208-I240 HydrophobicContact CB-CG1 4.03Å; Q208-I240 PolarHBondContact N-O 2.86Å; Q208-I240 PolarHBondContact O-N 3.33Å
209G90.1Very high92.3Very high13 Ų1359.6 Ų59.613%0.13431%0.306CS..SBendtrans124.9-8.8-17800000114.5Y212 F213G209-Y212 PolarHBondContact O-N 2.87Å; G209-Y212 VanDerWaalsContact O-N 3.1Å; G209-F213 PolarHBondContact O-N 2.78Å
210Q91.1Very high92.9Very high140 Ų14059.3 Ų59.365%0.65430%0.304SS*.THydrogen-bonded Turntrans-73.8145.8166.9-66.3-171.6-36.400110.5I206I206-Q210 HydrophobicContact CB-CG 4.27Å; I206-Q210 HydrophobicContact CG2-CG 4.03Å
211P92.6Very high93.5Very high85 Ų8560 Ų6055%0.55231%0.305SS*.THydrogen-bonded Turncis-89.96.85.836.9-36.8000114.9A225P211-A225 WeakPolarHBondContact O-CB 3.35Å
212Y94.4Very high94Very high75 Ų7553.3 Ų53.329%0.29428%0.28SS..THydrogen-bonded Turntrans-70.8-37.8-171.2-57.5-79.9000113.5G209 A225 L226 M229 Y237G209-Y212 PolarHBondContact O-N 2.87Å; G209-Y212 VanDerWaalsContact O-N 3.1Å; Y212-A225 PolarHBondContact O-N 2.99Å; Y212-L226 HydrophobicContact CD1-CB 4.4Å; Y212-L226 HydrophobicContact CD1-CD2 3.52Å; Y212-L226 HydrophobicContact CE1-CD2 3.57Å; Y212-L226 PolarHBondContact O-N 3.17Å; Y212-M229 HydrophobicContact CD1-CE 4.37Å; Y212-M229 HydrophobicContact CD1-CG 4.39Å; Y212-M229 HydrophobicContact CD1-SD 4.45Å; Y212-Y237 HydrophobicContact CD1-CD1 4.41Å; Y212-Y237 AromaticContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD2-CD1 4.05Å; Y212-Y237 AromaticContact CD2-CE1 3.82Å; Y212-Y237 HydrophobicContact CD2-CE1 3.82Å; Y212-Y237 AromaticContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE2-CE1 4.03Å; Y212-Y237 AromaticContact CG-CD1 3.99Å; Y212-Y237 HydrophobicContact CG-CD1 3.99Å; Y212-Y237 AromaticContact CG-CE1 3.57Å; Y212-Y237 HydrophobicContact CG-CE1 3.57Å
213F96.3Very high94.2Very high2 Ų257.1 Ų57.11%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-123.8156.3-177.7-58.2-81.1000112.4V183 I206 G209 I222 R223 T224 M229 Y237 V239 I261V183-F213 HydrophobicContact CG2-CD1 4.24Å; V183-F213 HydrophobicContact CG2-CE1 4.08Å; I206-F213 HydrophobicContact CD1-CB 4.3Å; I206-F213 VanDerWaalsContact CD1-O 3.3Å; I206-F213 WeakPolarHBondContact CD1-O 3.5Å; G209-F213 PolarHBondContact O-N 2.78Å; F213-I222 HydrophobicContact CB-CG2 4.03Å; F213-I222 HydrophobicContact CD1-CG2 4.22Å; F213-I222 HydrophobicContact CG-CG2 4.39Å; F213-R223 WeakPolarHBondContact CA-O 3.45Å; F213-T224 HydrophobicContact CE1-CG2 4.41Å; F213-M229 HydrophobicContact CE1-CE 4.13Å; F213-M229 HydrophobicContact CE1-SD 4.5Å; F213-M229 HydrophobicContact CE2-CE 3.9Å; F213-M229 HydrophobicContact CZ-CE 3.45Å; F213-M229 VanDerWaalsContact CZ-CE 3.45Å; F213-M229 HydrophobicContact CZ-SD 4.34Å; F213-Y237 HydrophobicContact CE2-CD1 4.04Å; F213-Y237 HydrophobicContact CE2-CD2 4.45Å; F213-Y237 AromaticContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CZ-CG 4.29Å; F213-V239 HydrophobicContact CD2-CG2 3.49Å; F213-V239 VanDerWaalsContact CD2-CG2 3.49Å; F213-V239 HydrophobicContact CE2-CG2 3.95Å; F213-V239 HydrophobicContact CG-CG2 4.16Å; F213-I261 HydrophobicContact CD1-CD1 3.82Å; F213-I261 HydrophobicContact CD2-CD1 4.06Å; F213-I261 HydrophobicContact CE1-CD1 3.6Å; F213-I261 HydrophobicContact CE1-CG2 4.07Å; F213-I261 HydrophobicContact CE2-CD1 3.86Å; F213-I261 HydrophobicContact CG-CD1 4.04Å; F213-I261 HydrophobicContact CZ-CB 4.09Å; F213-I261 HydrophobicContact CZ-CD1 3.61Å; F213-I261 HydrophobicContact CZ-CG1 4.45Å; F213-I261 HydrophobicContact CZ-CG2 3.74Å
214S95.6Very high94.4Very high47 Ų4755.7 Ų55.733%0.32928%0.283SS..EExtended strand (participates in β ladder)trans-128.8150.7172.759.70000109.4I222 R223S214-I222 CarbonylContact O-C 3.55Å; S214-I222 VanDerWaalsContact O-CA 3.32Å; S214-I222 WeakPolarHBondContact O-CA 3.48Å; S214-R223 PolarHBondContact N-O 3.1Å; S214-R223 PolarHBondContact O-N 3.5Å; S214-R223 PolarHBondContact OG-O 3.31Å
215V96.5Very high94.3Very high27 Ų2756.7 Ų56.716%0.16430%0.295CS..EExtended strand (participates in β ladder)trans-120.8135.4175.970.80000109.2I206 S217 L221 I222 I241I206-V215 HydrophobicContact CD1-CB 4.15Å; I206-V215 HydrophobicContact CD1-CG1 4.28Å; I206-V215 HydrophobicContact CG1-CB 3.94Å; I206-V215 HydrophobicContact CG1-CG1 3.68Å; V215-S217 PolarHBondContact O-N 3.03Å; V215-L221 WeakPolarHBondContact CA-O 3.36Å; V215-I222 HydrophobicContact CB-CG1 4.44Å; V215-I222 HydrophobicContact CG2-CG1 4.06Å; V215-I241 HydrophobicContact CB-CD1 4.49Å
216D95.9Very high94.2Very high58 Ų5858 Ų5831%0.3130%0.299SS..  trans-71.5120.1168.4-179.9-70.8000109.1R218 T219 G220 L221D216-R218 PolarHBondContact O-N 3.05Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-R218 PolarHBondContact OD1-N 2.8Å; D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact O-N 2.86Å; D216-T219 PolarHBondContact OD1-N 2.71Å; D216-T219 PolarHBondContact OD1-OG1 2.91Å; D216-G220 PolarHBondContact O-N 3.47Å; D216-L221 HydrophobicContact CB-CB 4.38Å; D216-L221 PolarHBondContact N-O 3.17Å
217S93.7Very high93.8Very high59 Ų5962.8 Ų62.841%0.41332%0.322SS..THydrogen-bonded Turntrans-66.5-14.5-17064.60000114.6V203 Y204 V215V203-S217 WeakPolarHBondContact CA-O 3.39Å; Y204-S217 PolarHBondContact N-O 3.17Å; Y204-S217 WeakPolarHBondContact O-CA 3.4Å; V215-S217 PolarHBondContact O-N 3.03Å
218R90.8Very high93.3Very high192 Ų19262.9 Ų62.973%0.72532%0.323SS*.THydrogen-bonded Turntrans-105.9-36.6179.7-66.5-177.3-68.4-160.6-2.4112.9D216D216-R218 PolarHBondContact O-N 3.05Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-R218 PolarHBondContact OD1-N 2.8Å
219T92.8Very high93.2Very high61 Ų6158.8 Ų58.837%0.37430%0.304SS..THydrogen-bonded Turntrans-99.4-17-172.658.50000113.5Q185 D216 L221Q185-T219 WeakPolarHBondContact CG-O 3.49Å; Q185-T219 PolarHBondContact NE2-O 3.36Å; D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact O-N 2.86Å; D216-T219 PolarHBondContact OD1-N 2.71Å; D216-T219 PolarHBondContact OD1-OG1 2.91Å; T219-L221 PolarHBondContact O-N 3.35Å
220G92.1Very high93.3Very high0 Ų060.7 Ų60.70%031%0.311CS..  trans7213.2-174.600000113.5V186 D216 I222V186-G220 WeakPolarHBondContact CG2-O 3.4Å; V186-G220 PolarHBondContact N-O 3.06Å; D216-G220 PolarHBondContact O-N 3.47Å; G220-I222 PolarHBondContact O-N 2.87Å
221L96.3Very high93.5Very high32 Ų3255.5 Ų55.517%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-76.6117.4177.9-178.866.1000110.7Q185 V215 D216 T219 R223Q185-L221 HydrophobicContact CB-CD1 4.03Å; Q185-L221 HydrophobicContact CG-CB 4.48Å; V215-L221 WeakPolarHBondContact CA-O 3.36Å; D216-L221 HydrophobicContact CB-CB 4.38Å; D216-L221 PolarHBondContact N-O 3.17Å; T219-L221 PolarHBondContact O-N 3.35Å; L221-R223 HydrophobicContact CD2-CG 4.49Å; L221-R223 HydrophobicContact CG-CG 4.34Å
222I96.3Very high93.5Very high0 Ų054.1 Ų54.10%027%0.272CS..EExtended strand (participates in β ladder)trans-86.1132.9176.1-56.4173.9000109.3V183 I184 V186 F213 S214 V215 G220 I241 V259 I261V183-I222 PolarHBondContact N-O 2.95Å; I184-I222 HydrophobicContact CG2-CB 4.43Å; I184-I222 HydrophobicContact CG2-CD1 4.01Å; I184-I222 PolarHBondContact O-N 2.84Å; V186-I222 HydrophobicContact CG1-CD1 4.32Å; F213-I222 HydrophobicContact CB-CG2 4.03Å; F213-I222 HydrophobicContact CD1-CG2 4.22Å; F213-I222 HydrophobicContact CG-CG2 4.39Å; S214-I222 CarbonylContact O-C 3.55Å; S214-I222 VanDerWaalsContact O-CA 3.32Å; S214-I222 WeakPolarHBondContact O-CA 3.48Å; V215-I222 HydrophobicContact CB-CG1 4.44Å; V215-I222 HydrophobicContact CG2-CG1 4.06Å; G220-I222 PolarHBondContact O-N 2.87Å; I222-I241 HydrophobicContact CD1-CD1 3.77Å; I222-I241 HydrophobicContact CD1-CG1 3.81Å; I222-I241 HydrophobicContact CG1-CD1 4.21Å; I222-V259 HydrophobicContact CD1-CB 4.34Å; I222-V259 HydrophobicContact CD1-CG1 4.22Å; I222-V259 HydrophobicContact CD1-CG2 3.88Å; I222-I261 HydrophobicContact CG2-CD1 4.45Å
223R96.1Very high93.4Very high105 Ų10554.3 Ų54.340%0.39629%0.289SS..EExtended strand (participates in β ladder)trans-130.6152.1179.4-64.2176.9179.4-107.22.8111.6G180 T181 F213 S214 L221 A225G180-R223 PolarHBondContact O-NH1 3.18Å; T181-R223 CarbonylContact O-C 3.56Å; T181-R223 WeakPolarHBondContact O-CA 3.47Å; F213-R223 WeakPolarHBondContact CA-O 3.45Å; S214-R223 PolarHBondContact N-O 3.1Å; S214-R223 PolarHBondContact O-N 3.5Å; S214-R223 PolarHBondContact OG-O 3.31Å; L221-R223 HydrophobicContact CD2-CG 4.49Å; L221-R223 HydrophobicContact CG-CG 4.34Å; R223-A225 PolarHBondContact O-N 3.05Å
224T96.4Very high93.3Very high3 Ų359 Ų592%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-61133.3169.257.40000110.3V173 P178 G180 T181 V183 F213V173-T224 HydrophobicContact CG2-CG2 4.11Å; P178-T224 PolarHBondContact O-OG1 3.01Å; G180-T224 PolarHBondContact N-O 2.99Å; G180-T224 PolarHBondContact N-OG1 3.03Å; T181-T224 WeakPolarHBondContact CB-OG1 3.07Å; T181-T224 PolarHBondContact N-OG1 2.93Å; T181-T224 VanDerWaalsContact N-OG1 3.09Å; T181-T224 PolarHBondContact O-N 3.38Å; V183-T224 HydrophobicContact CG2-CG2 4.15Å; F213-T224 HydrophobicContact CE1-CG2 4.41Å
225A93.9Very high93.2Very high39 Ų3959.4 Ų59.432%0.32231%0.306SS..  trans-116.4-22.7-179.100000112.7P211 Y212 R223P211-A225 WeakPolarHBondContact O-CB 3.35Å; Y212-A225 PolarHBondContact O-N 2.99Å; R223-A225 PolarHBondContact O-N 3.05Å
226L93.1Very high93.1Very high69 Ų6965.1 Ų65.136%0.36133%0.326SS..SBendtrans-102.5140.3175.1-167.467.1000110.6Y212 M229Y212-L226 HydrophobicContact CD1-CB 4.4Å; Y212-L226 HydrophobicContact CD1-CD2 3.52Å; Y212-L226 HydrophobicContact CE1-CD2 3.57Å; Y212-L226 PolarHBondContact O-N 3.17Å; L226-M229 HydrophobicContact CB-CG 4.32Å
227M86.9Confident93.1Very high119 Ų11963.2 Ų63.259%0.58631%0.314SS*.SBendtrans-82.6151.7174.2-161.6179.183.600110.1V179 M229V179-M227 HydrophobicContact CG2-CB 3.96Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.76Å
228N83.4Confident93.2Very high99 Ų9965.2 Ų65.253%0.52932%0.317SS..  trans55.244.6175.1-55.2-9.3000113D230N228-D230 PolarHBondContact O-N 3.08Å
229M92.6Very high93.4Very high9 Ų956.1 Ų56.14%0.04428%0.283CS..  trans-63.5132.2161.9-71.117764.100107.9E175 M176 Y212 F213 L226 M227 Y237 L263E175-M229 WeakPolarHBondContact CB-O 3.42Å; M176-M229 PolarHBondContact N-O 3.32Å; Y212-M229 HydrophobicContact CD1-CE 4.37Å; Y212-M229 HydrophobicContact CD1-CG 4.39Å; Y212-M229 HydrophobicContact CD1-SD 4.45Å; F213-M229 HydrophobicContact CE1-CE 4.13Å; F213-M229 HydrophobicContact CE1-SD 4.5Å; F213-M229 HydrophobicContact CE2-CE 3.9Å; F213-M229 HydrophobicContact CZ-CE 3.45Å; F213-M229 VanDerWaalsContact CZ-CE 3.45Å; F213-M229 HydrophobicContact CZ-SD 4.34Å; L226-M229 HydrophobicContact CB-CG 4.32Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.76Å; M229-Y237 HydrophobicContact CE-CD1 4.38Å; M229-Y237 HydrophobicContact CE-CD2 3.93Å; M229-Y237 HydrophobicContact CE-CE1 4.02Å; M229-Y237 HydrophobicContact CE-CE2 3.53Å; M229-Y237 HydrophobicContact CE-CG 4.34Å; M229-L263 HydrophobicContact CB-CD1 4.04Å; M229-L263 HydrophobicContact CE-CD1 4.42Å; M229-L263 HydrophobicContact CE-CD2 3.93Å
230D92.6Very high93.5Very high54 Ų5455 Ų5529%0.28928%0.275SS..  trans-131126.3-166.1165.4-24.4000106.8N228 E232 A233 K234N228-D230 PolarHBondContact O-N 3.08Å; D230-E232 WeakPolarHBondContact OD1-CA 3.26Å; D230-E232 WeakPolarHBondContact OD1-CB 3.31Å; D230-E232 PolarHBondContact OD1-N 3.41Å; D230-A233 HydrophobicContact CB-CB 4.24Å; D230-A233 PolarHBondContact OD1-N 3.36Å; D230-K234 PolarHBondContact O-N 2.83Å
231R94.8Very high93.7Very high31 Ų3155 Ų5512%0.11728%0.275CS..THydrogen-bonded Turntrans-74.2-40.5-174.6-172.1-146.569.3108.9-6.9110.6E175 A233 K234 E235 L263 D265 L300 E302E175-R231 HydrophobicContact CB-CB 4.35Å; E175-R231 VanDerWaalsContact OE2-CB 3.23Å; E175-R231 WeakPolarHBondContact OE2-CB 3.21Å; E175-R231 PolarHBondContact OE2-N 3.44Å; R231-A233 PolarHBondContact O-N 3.07Å; R231-K234 CarbonylContact O-C 3.6Å; R231-K234 PolarHBondContact O-N 3.17Å; R231-K234 VanDerWaalsContact O-N 3.13Å; R231-E235 HydrophobicContact CG-CB 3.97Å; R231-E235 HydrophobicContact CG-CG 3.87Å; R231-E235 PolarHBondContact O-N 3.4Å; R231-L263 HydrophobicContact CB-CB 3.99Å; R231-L263 HydrophobicContact CB-CD1 4.42Å; R231-L263 HydrophobicContact CG-CB 4.03Å; R231-D265 IonicContact CZ-OD1 3.55Å; R231-D265 IonicContact NE-OD1 3.88Å; R231-D265 PolarHBondContact NE-OD1 2.88Å; R231-D265 IonicContact NH2-OD1 2.88Å; R231-L300 PolarHBondContact NH2-O 2.74Å; R231-E302 IonicContact CZ-OE2 3.51Å; R231-E302 IonicContact NH1-OE2 3.04Å; R231-E302 PolarHBondContact NH1-OE2 3.16Å
232E93.4Very high93.6Very high55 Ų5555.7 Ų55.726%0.25728%0.277SS..THydrogen-bonded Turntrans-59.5-29.9176.8-68.456.9-116.200111.1D230 L300D230-E232 WeakPolarHBondContact OD1-CA 3.26Å; D230-E232 WeakPolarHBondContact OD1-CB 3.31Å; D230-E232 PolarHBondContact OD1-N 3.41Å; E232-L300 HydrophobicContact CG-CB 4.03Å
233A92.6Very high93.6Very high80 Ų8055.7 Ų55.766%0.66128%0.277SS*.THydrogen-bonded Turntrans-81.4-47.5171.800000113.1D230 R231D230-A233 HydrophobicContact CB-CB 4.24Å; D230-A233 PolarHBondContact OD1-N 3.36Å; R231-A233 PolarHBondContact O-N 3.07Å
234K92.9Very high93.4Very high99 Ų9952.8 Ų52.843%0.4327%0.267SS..  trans-159.7110.5179.3-177.3175.3174.3177.70112.2D230 R231 Y236 Y237D230-K234 PolarHBondContact O-N 2.83Å; R231-K234 CarbonylContact O-C 3.6Å; R231-K234 PolarHBondContact O-N 3.17Å; R231-K234 VanDerWaalsContact O-N 3.13Å; K234-Y236 WeakPolarHBondContact CE-O 3.15Å; K234-Y237 HydrophobicContact CD-CD1 4.42Å; K234-Y237 HydrophobicContact CD-CE1 3.83Å; K234-Y237 HydrophobicContact CG-CE1 4.38Å; K234-Y237 HydrophobicContact CG-CE2 4.22Å; K234-Y237 WeakPolarHBondContact O-CE2 3.34Å
235E93.8Very high93.2Very high56 Ų5652.6 Ų52.626%0.26227%0.266SS..  trans-78.9-41-179.5-174.5-172.8165.100114.6R231 L263R231-E235 HydrophobicContact CG-CB 3.97Å; R231-E235 HydrophobicContact CG-CG 3.87Å; R231-E235 PolarHBondContact O-N 3.4Å; E235-L263 PolarHBondContact O-N 2.99Å
236Y95.1Very high92.8Very high148 Ų14853.2 Ų53.258%0.5826%0.263SS*.EExtended strand (participates in β ladder)trans-104.5128.5-168.6-64.6-84.8000113.3K234 T262K234-Y236 WeakPolarHBondContact CE-O 3.15Å; Y236-T262 HydrophobicContact CD1-CG2 3.63Å; Y236-T262 HydrophobicContact CE1-CG2 3.5Å; Y236-T262 VanDerWaalsContact CE1-CG2 3.5Å
237Y95.1Very high92.3Very high17 Ų1751.1 Ų51.17%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-126.4120.5175.2-65.4-94.3000111.8Y212 F213 M229 K234 I261 L263Y212-Y237 HydrophobicContact CD1-CD1 4.41Å; Y212-Y237 AromaticContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD2-CD1 4.05Å; Y212-Y237 AromaticContact CD2-CE1 3.82Å; Y212-Y237 HydrophobicContact CD2-CE1 3.82Å; Y212-Y237 AromaticContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE2-CE1 4.03Å; Y212-Y237 AromaticContact CG-CD1 3.99Å; Y212-Y237 HydrophobicContact CG-CD1 3.99Å; Y212-Y237 AromaticContact CG-CE1 3.57Å; Y212-Y237 HydrophobicContact CG-CE1 3.57Å; F213-Y237 HydrophobicContact CE2-CD1 4.04Å; F213-Y237 HydrophobicContact CE2-CD2 4.45Å; F213-Y237 AromaticContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CZ-CG 4.29Å; M229-Y237 HydrophobicContact CE-CD1 4.38Å; M229-Y237 HydrophobicContact CE-CD2 3.93Å; M229-Y237 HydrophobicContact CE-CE1 4.02Å; M229-Y237 HydrophobicContact CE-CE2 3.53Å; M229-Y237 HydrophobicContact CE-CG 4.34Å; K234-Y237 HydrophobicContact CD-CD1 4.42Å; K234-Y237 HydrophobicContact CD-CE1 3.83Å; K234-Y237 HydrophobicContact CG-CE1 4.38Å; K234-Y237 HydrophobicContact CG-CE2 4.22Å; K234-Y237 WeakPolarHBondContact O-CE2 3.34Å; Y237-I261 PolarHBondContact N-O 3.29Å; Y237-I261 PolarHBondContact O-N 3.49Å; Y237-L263 HydrophobicContact CD2-CG 4.31Å; Y237-L263 HydrophobicContact CE2-CD1 3.79Å; Y237-L263 HydrophobicContact CE2-CD2 4.45Å; Y237-L263 HydrophobicContact CE2-CG 3.9Å
238E95.5Very high92.1Very high102 Ų10247 Ų4748%0.47725%0.245SC..EExtended strand (participates in β ladder)trans-92.5120.4170.3-173.3-178.6-156.200109.7T258E238-T258 HydrophobicContact CG-CG2 3.56Å
239V95.8Very high92.1Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-116.5122.5178.8-1760000109.6I206 Q208 F213 I241 V259 I261I206-V239 HydrophobicContact CG2-CG1 4.16Å; Q208-V239 CarbonylContact O-C 3.47Å; Q208-V239 VanDerWaalsContact O-CA 3.28Å; Q208-V239 WeakPolarHBondContact O-CA 3.37Å; Q208-V239 WeakPolarHBondContact O-CG1 3.48Å; F213-V239 HydrophobicContact CD2-CG2 3.49Å; F213-V239 VanDerWaalsContact CD2-CG2 3.49Å; F213-V239 HydrophobicContact CE2-CG2 3.95Å; F213-V239 HydrophobicContact CG-CG2 4.16Å; V239-I241 HydrophobicContact CG1-CD1 3.7Å; V239-I241 HydrophobicContact CG1-CG1 4.34Å; V239-V259 HydrophobicContact CB-CB 4.36Å; V239-V259 PolarHBondContact N-O 3.08Å; V239-V259 PolarHBondContact O-N 3.46Å; V239-I261 HydrophobicContact CB-CD1 4.45Å; V239-I261 HydrophobicContact CG2-CD1 3.69Å; V239-I261 HydrophobicContact CG2-CG1 4.44Å
240I95.9Very high91.3Very high39 Ų3956 Ų5620%0.229%0.289CS..EExtended strand (participates in β ladder)trans-100115176.5-57.2177000108.4L207 Q208L207-I240 HydrophobicContact CB-CB 4.36Å; L207-I240 HydrophobicContact CB-CG2 4.2Å; L207-I240 HydrophobicContact CD1-CG2 4.22Å; L207-I240 PolarHBondContact N-O 2.75Å; Q208-I240 HydrophobicContact CB-CB 4.02Å; Q208-I240 HydrophobicContact CB-CD1 4.07Å; Q208-I240 HydrophobicContact CB-CG1 4.03Å; Q208-I240 PolarHBondContact N-O 2.86Å; Q208-I240 PolarHBondContact O-N 3.33Å
241I95.5Very high90.4Very high0 Ų057 Ų570%031%0.313CS..EExtended strand (participates in β ladder)trans-98.3137.4177-55-60.6000109.5F164 V186 Y204 I206 V215 I222 V239 T256 T257 V259F164-I241 HydrophobicContact CE1-CG2 4.39Å; F164-I241 HydrophobicContact CZ-CG2 4.07Å; V186-I241 HydrophobicContact CG2-CG1 4.47Å; V186-I241 HydrophobicContact CG2-CG2 4.03Å; Y204-I241 HydrophobicContact CD1-CG2 4.26Å; I206-I241 HydrophobicContact CD1-CD1 4.48Å; I206-I241 HydrophobicContact CG1-CD1 3.69Å; V215-I241 HydrophobicContact CB-CD1 4.49Å; I222-I241 HydrophobicContact CD1-CD1 3.77Å; I222-I241 HydrophobicContact CD1-CG1 3.81Å; I222-I241 HydrophobicContact CG1-CD1 4.21Å; V239-I241 HydrophobicContact CG1-CD1 3.7Å; V239-I241 HydrophobicContact CG1-CG1 4.34Å; I241-T256 CarbonylContact O-C 3.55Å; I241-T256 VanDerWaalsContact O-CA 3.25Å; I241-T256 WeakPolarHBondContact O-CA 3.45Å; I241-T257 HydrophobicContact CB-CG2 4.2Å; I241-T257 PolarHBondContact N-O 2.65Å; I241-T257 PolarHBondContact O-N 3.31Å; I241-V259 HydrophobicContact CG1-CG2 3.89Å
242Q94.8Very high90Very high45 Ų4556.3 Ų56.321%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-110.5134.5170.5177175.173.500109.7Y204 S205 L207 A254 G255 T256Y204-Q242 CarbonylContact C-O 3.56Å; Y204-Q242 WeakPolarHBondContact CA-O 3.32Å; S205-Q242 PolarHBondContact N-O 2.78Å; S205-Q242 PolarHBondContact O-N 3.3Å; L207-Q242 HydrophobicContact CD1-CB 3.9Å; L207-Q242 HydrophobicContact CD2-CB 4.29Å; L207-Q242 HydrophobicContact CG-CB 3.82Å; Q242-A254 HydrophobicContact CG-CB 3.92Å; Q242-G255 WeakPolarHBondContact CA-O 3.42Å; Q242-T256 HydrophobicContact CB-CG2 4.14Å; Q242-T256 HydrophobicContact CG-CG2 4.29Å
243A94.8Very high89.8Confident0 Ų056.8 Ų56.80%032%0.319CS..EExtended strand (participates in β ladder)trans-107.4119.9166.600000107.5P162 F164 A188 V202 Y204 A254 G255P162-A243 HydrophobicContact CB-CB 3.91Å; F164-A243 HydrophobicContact CE1-CB 4.18Å; F164-A243 HydrophobicContact CE2-CB 3.67Å; F164-A243 HydrophobicContact CZ-CB 3.39Å; A188-A243 HydrophobicContact CB-CB 3.51Å; V202-A243 HydrophobicContact CG1-CB 3.61Å; Y204-A243 HydrophobicContact CD1-CB 4.14Å; Y204-A243 HydrophobicContact CE1-CB 4.06Å; A243-A254 CarbonylContact O-C 3.57Å; A243-A254 VanDerWaalsContact O-CA 3.24Å; A243-A254 WeakPolarHBondContact O-CA 3.01Å; A243-G255 PolarHBondContact N-O 2.72Å; A243-G255 PolarHBondContact O-N 3.02Å
244K93.1Very high89.8Confident44 Ų4454.5 Ų54.519%0.19130%0.3CS..EExtended strand (participates in β ladder)trans-121.1130.1-178.3-172.2173.6-179.6-167.40110.8V202 V203 G248 Q249 G252 L253 A254V202-K244 CarbonylContact C-O 3.55Å; V202-K244 WeakPolarHBondContact CA-O 3.3Å; V203-K244 PolarHBondContact N-O 2.86Å; V203-K244 PolarHBondContact O-N 2.77Å; K244-G248 PolarHBondContact NZ-O 3.44Å; K244-Q249 WeakPolarHBondContact CE-O 3.22Å; K244-Q249 PolarHBondContact NZ-O 2.97Å; K244-G252 WeakPolarHBondContact CE-O 3.34Å; K244-L253 WeakPolarHBondContact CA-O 3.23Å; K244-L253 WeakPolarHBondContact CG-O 3.34Å; K244-A254 HydrophobicContact CB-CB 4.15Å; K244-A254 HydrophobicContact CG-CB 4.11Å
245D91.2Very high89.8Confident0 Ų050.2 Ų50.20%028%0.284CS..SBendtrans-73.2-170.7179.873.218.7000111.9N158 P162 D190 S199 R201 G247 G248 G252 L253N158-D245 PolarHBondContact ND2-OD2 3.02Å; N158-D245 PolarHBondContact OD1-OD2 3.44Å; P162-D245 HydrophobicContact CG-CB 3.75Å; D190-D245 WeakPolarHBondContact OD2-CB 3.49Å; S199-D245 WeakPolarHBondContact O-CB 3.33Å; R201-D245 CarbonylContact O-C 3.59Å; D245-G247 PolarHBondContact O-N 3.19Å; D245-G248 PolarHBondContact O-N 3.4Å; D245-G252 WeakPolarHBondContact OD1-CA 3.31Å; D245-L253 PolarHBondContact N-O 3.4Å; D245-L253 PolarHBondContact OD1-N 2.83Å; D245-L253 WeakPolarHBondContact OD2-CA 3.3Å; D245-L253 WeakPolarHBondContact OD2-CB 3.41Å; D245-L253 PolarHBondContact OD2-N 3.3Å
246M86.3Confident89.8Confident51 Ų5151.6 Ų51.625%0.25130%0.296SS..G310 helixtrans55.828.8175.4-78.4-77.7179.600113.8N158 N198 S199 R201 G248 Q249N158-M246 HydrophobicContact CB-CE 3.48Å; N158-M246 VanDerWaalsContact CB-CE 3.48Å; N198-M246 HydrophobicContact CB-SD 4.25Å; N198-M246 WeakPolarHBondContact O-CA 3.49Å; N198-M246 PolarHBondContact O-N 2.98Å; S199-M246 PolarHBondContact O-N 2.88Å; R201-M246 PolarHBondContact O-N 2.54Å; M246-G248 PolarHBondContact O-N 3.44Å; M246-Q249 WeakPolarHBondContact O-CB 3.33Å; M246-Q249 VanDerWaalsContact O-CG 3.28Å; M246-Q249 WeakPolarHBondContact O-CG 3.43Å; M246-Q249 PolarHBondContact O-N 3.01Å
247G82.8Confident89.8Confident26 Ų2645.1 Ų45.127%0.26827%0.272SS..G310 helixtrans62.623.9-175.200000113.8R201 V203 D245R201-G247 WeakPolarHBondContact O-CA 3.49Å; R201-G247 PolarHBondContact O-N 3.15Å; V203-G247 VanDerWaalsContact CG2-C 3.44Å; D245-G247 PolarHBondContact O-N 3.19Å
248G82.2Confident89.8Confident31 Ų3146.3 Ų46.332%0.3228%0.281SS..G310 helixtrans80.58.2-178.300000115.1K244 D245 M246K244-G248 PolarHBondContact NZ-O 3.44Å; D245-G248 PolarHBondContact O-N 3.4Å; M246-G248 PolarHBondContact O-N 3.44Å
249Q84.2Confident89.9Confident116 Ų11641.4 Ų41.454%0.54226%0.259SS..  trans-70.8165.3-174.5-67.1-178.8-700113.6K244 M246 G251 G252K244-Q249 WeakPolarHBondContact CE-O 3.22Å; K244-Q249 PolarHBondContact NZ-O 2.97Å; M246-Q249 WeakPolarHBondContact O-CB 3.33Å; M246-Q249 VanDerWaalsContact O-CG 3.28Å; M246-Q249 WeakPolarHBondContact O-CG 3.43Å; M246-Q249 PolarHBondContact O-N 3.01Å; Q249-G251 PolarHBondContact O-N 3.14Å; Q249-G252 PolarHBondContact O-N 2.75Å
250L75.4Confident89.9Confident181 Ų18144.9 Ų44.995%0.94828%0.277SS*.THydrogen-bonded Turntrans-66.6121.4173.1-75.9164.2000109.2
251G74.5Confident89.9Confident76 Ų7643 Ų4378%0.78427%0.268SS*.THydrogen-bonded Turntrans113-12.6-175.300000114.6Q249Q249-G251 PolarHBondContact O-N 3.14Å
252G84.7Confident89.9Confident16 Ų1644.8 Ų44.817%0.16528%0.278CS..  trans-77.8148.6175.800000115K244 D245 Q249K244-G252 WeakPolarHBondContact CE-O 3.34Å; D245-G252 WeakPolarHBondContact OD1-CA 3.31Å; Q249-G252 PolarHBondContact O-N 2.75Å
253L90.1Very high90Very high65 Ų6543 Ų4334%0.3427%0.27SS..  trans-80.4157174.2-50.6171.8000110.4E161 K244 D245E161-L253 HydrophobicContact CB-CB 3.65Å; E161-L253 HydrophobicContact CB-CD1 4.28Å; K244-L253 WeakPolarHBondContact CA-O 3.23Å; K244-L253 WeakPolarHBondContact CG-O 3.34Å; D245-L253 PolarHBondContact N-O 3.4Å; D245-L253 PolarHBondContact OD1-N 2.83Å; D245-L253 WeakPolarHBondContact OD2-CA 3.3Å; D245-L253 WeakPolarHBondContact OD2-CB 3.41Å; D245-L253 PolarHBondContact OD2-N 3.3Å
254A92.7Very high89.9Confident32 Ų3245.1 Ų45.126%0.26429%0.285SS..EExtended strand (participates in β ladder)trans-146.6124.2-171.600000113.1Q242 A243 K244Q242-A254 HydrophobicContact CG-CB 3.92Å; A243-A254 CarbonylContact O-C 3.57Å; A243-A254 VanDerWaalsContact O-CA 3.24Å; A243-A254 WeakPolarHBondContact O-CA 3.01Å; K244-A254 HydrophobicContact CB-CB 4.15Å; K244-A254 HydrophobicContact CG-CB 4.11Å
255G92.6Very high89.8Confident9 Ų944.5 Ų44.59%0.09328%0.284CS..EExtended strand (participates in β ladder)trans-93.3154166.900000111.8P162 Q242 A243P162-G255 WeakPolarHBondContact O-CA 3.49Å; Q242-G255 WeakPolarHBondContact CA-O 3.42Å; A243-G255 PolarHBondContact N-O 2.72Å; A243-G255 PolarHBondContact O-N 3.02Å
256T94.4Very high89.7Confident85 Ų8544.9 Ų44.952%0.52129%0.286SS..EExtended strand (participates in β ladder)trans-127152.217559.70000111.8L207 I241 Q242L207-T256 HydrophobicContact CD1-CG2 3.76Å; I241-T256 CarbonylContact O-C 3.55Å; I241-T256 VanDerWaalsContact O-CA 3.25Å; I241-T256 WeakPolarHBondContact O-CA 3.45Å; Q242-T256 HydrophobicContact CB-CG2 4.14Å; Q242-T256 HydrophobicContact CG-CG2 4.29Å
257T94.8Very high89.8Confident13 Ų1342.5 Ų42.58%0.0827%0.274CS..EExtended strand (participates in β ladder)trans-143.9152.6171.8-170.70000110.4F164 Y169 I241F164-T257 HydrophobicContact CB-CG2 4.41Å; F164-T257 HydrophobicContact CD1-CG2 3.56Å; F164-T257 HydrophobicContact CD2-CG2 3.74Å; F164-T257 HydrophobicContact CE1-CG2 3.58Å; F164-T257 HydrophobicContact CE2-CG2 3.77Å; F164-T257 HydrophobicContact CG-CG2 3.63Å; F164-T257 HydrophobicContact CZ-CG2 3.68Å; Y169-T257 HydrophobicContact CD2-CG2 4.06Å; Y169-T257 HydrophobicContact CE2-CG2 3.88Å; I241-T257 HydrophobicContact CB-CG2 4.2Å; I241-T257 PolarHBondContact N-O 2.65Å; I241-T257 PolarHBondContact O-N 3.31Å
258T95.7Very high90Very high41 Ų4141.9 Ų41.925%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-95.2140.9173.9-51.60000110.6Y169 E238 N260Y169-T258 PolarHBondContact N-O 2.9Å; E238-T258 HydrophobicContact CG-CG2 3.56Å; T258-N260 WeakPolarHBondContact CG2-OD1 3.42Å
259V96Very high90.3Very high0 Ų042.2 Ų42.20%026%0.259CS..EExtended strand (participates in β ladder)trans-123.3112.7172.3-172.40000107.9Y169 I184 V186 I222 V239 I241 I261Y169-V259 HydrophobicContact CD2-CG2 4.32Å; Y169-V259 CarbonylContact O-C 3.53Å; Y169-V259 WeakPolarHBondContact O-CA 3.3Å; I184-V259 HydrophobicContact CG2-CG1 3.85Å; V186-V259 HydrophobicContact CG1-CG2 3.93Å; I222-V259 HydrophobicContact CD1-CB 4.34Å; I222-V259 HydrophobicContact CD1-CG1 4.22Å; I222-V259 HydrophobicContact CD1-CG2 3.88Å; V239-V259 HydrophobicContact CB-CB 4.36Å; V239-V259 PolarHBondContact N-O 3.08Å; V239-V259 PolarHBondContact O-N 3.46Å; I241-V259 HydrophobicContact CG1-CG2 3.89Å; V259-I261 HydrophobicContact CG1-CD1 4.35Å; V259-I261 HydrophobicContact CG1-CG1 3.91Å
260N96.4Very high90.5Very high72 Ų7237.6 Ų37.639%0.38524%0.239SC..EExtended strand (participates in β ladder)trans-90.4112.4176.7-68.9-16.8000108.9Y169 V170 A171 T258Y169-N260 PolarHBondContact O-N 2.94Å; V170-N260 WeakPolarHBondContact CA-O 3.35Å; A171-N260 PolarHBondContact N-O 2.95Å; T258-N260 WeakPolarHBondContact CG2-OD1 3.42Å
261I96.2Very high91.3Very high1 Ų129 Ų291%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-107.8124.3-178.4-55.1172.1000108.9A171 V173 V183 F213 I222 Y237 V239 V259A171-I261 VanDerWaalsContact O-CA 3.3Å; A171-I261 WeakPolarHBondContact O-CA 3.41Å; V173-I261 HydrophobicContact CG1-CG2 3.86Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.22Å; V183-I261 HydrophobicContact CG1-CG2 4.05Å; F213-I261 HydrophobicContact CD1-CD1 3.82Å; F213-I261 HydrophobicContact CD2-CD1 4.06Å; F213-I261 HydrophobicContact CE1-CD1 3.6Å; F213-I261 HydrophobicContact CE1-CG2 4.07Å; F213-I261 HydrophobicContact CE2-CD1 3.86Å; F213-I261 HydrophobicContact CG-CD1 4.04Å; F213-I261 HydrophobicContact CZ-CB 4.09Å; F213-I261 HydrophobicContact CZ-CD1 3.61Å; F213-I261 HydrophobicContact CZ-CG1 4.45Å; F213-I261 HydrophobicContact CZ-CG2 3.74Å; I222-I261 HydrophobicContact CG2-CD1 4.45Å; Y237-I261 PolarHBondContact N-O 3.29Å; Y237-I261 PolarHBondContact O-N 3.49Å; V239-I261 HydrophobicContact CB-CD1 4.45Å; V239-I261 HydrophobicContact CG2-CD1 3.69Å; V239-I261 HydrophobicContact CG2-CG1 4.44Å; V259-I261 HydrophobicContact CG1-CD1 4.35Å; V259-I261 HydrophobicContact CG1-CG1 3.91Å
262T96.1Very high92.2Very high37 Ų3730.9 Ų30.923%0.22718%0.178CC..EExtended strand (participates in β ladder)trans-104.7137.4171.757.40000110.6A171 S172 V173 Y236A171-T262 PolarHBondContact O-N 3.26Å; S172-T262 VanDerWaalsContact CA-O 3.22Å; S172-T262 WeakPolarHBondContact CA-O 3.23Å; V173-T262 PolarHBondContact N-O 3.08Å; Y236-T262 HydrophobicContact CD1-CG2 3.63Å; Y236-T262 HydrophobicContact CE1-CG2 3.5Å; Y236-T262 VanDerWaalsContact CE1-CG2 3.5Å
263L95.6Very high92.7Very high6 Ų631 Ų313%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-77.8125.2168.6-64.7-172.3000109.3V173 E175 M229 R231 E235 Y237V173-L263 HydrophobicContact CG1-CD2 3.56Å; V173-L263 CarbonylContact O-C 3.56Å; V173-L263 VanDerWaalsContact O-CA 3.28Å; V173-L263 WeakPolarHBondContact O-CA 3.28Å; E175-L263 HydrophobicContact CB-CB 4.43Å; E175-L263 HydrophobicContact CB-CD1 4.29Å; M229-L263 HydrophobicContact CB-CD1 4.04Å; M229-L263 HydrophobicContact CE-CD1 4.42Å; M229-L263 HydrophobicContact CE-CD2 3.93Å; R231-L263 HydrophobicContact CB-CB 3.99Å; R231-L263 HydrophobicContact CB-CD1 4.42Å; R231-L263 HydrophobicContact CG-CB 4.03Å; E235-L263 PolarHBondContact O-N 2.99Å; Y237-L263 HydrophobicContact CD2-CG 4.31Å; Y237-L263 HydrophobicContact CE2-CD1 3.79Å; Y237-L263 HydrophobicContact CE2-CD2 4.45Å; Y237-L263 HydrophobicContact CE2-CG 3.9Å
264S92.9Very high92.8Very high45 Ų4532.7 Ų32.732%0.31519%0.189SC..EExtended strand (participates in β ladder)trans-86.5133.8170.965.30000109.8V173 P174 E175V173-S264 PolarHBondContact O-N 3.2Å; P174-S264 WeakPolarHBondContact CA-O 3.4Å; P174-S264 WeakPolarHBondContact CA-OG 3.29Å; E175-S264 PolarHBondContact N-O 3.49Å; E175-S264 VanDerWaalsContact N-O 3.12Å
265D91.6Very high92.8Very high32 Ų3236.1 Ų36.117%0.17120%0.199CC..PPolyproline II helixtrans-58.9142.4-177-167.382.4000113.2E175 R231 E302 N305E175-D265 WeakPolarHBondContact OE1-CA 3.48Å; R231-D265 IonicContact CZ-OD1 3.55Å; R231-D265 IonicContact NE-OD1 3.88Å; R231-D265 PolarHBondContact NE-OD1 2.88Å; R231-D265 IonicContact NH2-OD1 2.88Å; D265-E302 HydrophobicContact CB-CB 4.43Å; D265-E302 VanDerWaalsContact CG-N 3.3Å; D265-E302 PolarHBondContact OD1-N 3.49Å; D265-E302 VanDerWaalsContact OD1-N 3.16Å; D265-E302 PolarHBondContact OD2-N 3.12Å; D265-N305 PolarHBondContact O-ND2 3.48Å; D265-N305 VanDerWaalsContact OD2-CB 3.26Å; D265-N305 WeakPolarHBondContact OD2-CB 3.35Å; D265-N305 PolarHBondContact OD2-ND2 2.81Å
266V88.9Confident92.8Very high8 Ų843.9 Ų43.95%0.04823%0.231CC..  trans-132.7143.6176.3171.30000108.3P174 E175 D268 F363P174-V266 HydrophobicContact CB-CG2 4.1Å; E175-V266 HydrophobicContact CG-CB 3.82Å; E175-V266 HydrophobicContact CG-CG2 3.92Å; E175-V266 PolarHBondContact OE1-N 3.29Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.1Å; V266-F363 HydrophobicContact CB-CE2 4.49Å; V266-F363 HydrophobicContact CG1-CD2 3.57Å; V266-F363 HydrophobicContact CG1-CE1 4.06Å; V266-F363 HydrophobicContact CG1-CE2 3.02Å; V266-F363 HydrophobicContact CG1-CG 4.32Å; V266-F363 HydrophobicContact CG1-CZ 3.32Å
267N88.9Confident92.8Very high0 Ų046.3 Ų46.30%024%0.236CC..SBendtrans-72.582.6178-169.9-7.6000112.1D301 N305 H358 F363 F369N267-D301 VanDerWaalsContact CA-OD2 3.25Å; N267-D301 WeakPolarHBondContact CA-OD2 3.38Å; N267-D301 PolarHBondContact OD1-OD2 2.69Å; N267-N305 HydrophobicContact CB-CB 3.79Å; N267-H358 PolarHBondContact ND2-O 2.82Å; N267-F363 WeakPolarHBondContact O-CB 3.47Å; N267-F369 VanDerWaalsContact O-CE1 3.26Å; N267-F369 WeakPolarHBondContact O-CE1 3.48Å; N267-F369 VanDerWaalsContact O-CZ 3.25Å; N267-F369 WeakPolarHBondContact O-CZ 3.47Å; N267-F369 WeakPolarHBondContact OD1-CD1 3.09Å; N267-F369 WeakPolarHBondContact OD1-CE1 3.34Å
268D86.2Confident92.9Very high14 Ų1447 Ų478%0.07524%0.237CC..  trans-112.3-15.9178.379.6-57.2000112.9M176 V266 D301 L366M176-D268 HydrophobicContact CE-CB 3.85Å; M176-D268 WeakPolarHBondContact CE-OD2 3.13Å; M176-D268 HydrophobicContact SD-CB 4.11Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.1Å; D268-D301 PolarHBondContact N-OD2 3.44Å; D268-L366 HydrophobicContact CB-CD1 3.73Å
269N87.9Confident92.9Very high37 Ų3753.2 Ų53.220%0.19826%0.263CS..SBendtrans-101120.3176-64.5-84.4000111.7D299 L300 D301N269-D299 VanDerWaalsContact O-OD1 3.13Å; N269-L300 HydrophobicContact CB-CB 3.98Å; N269-D301 WeakPolarHBondContact CB-OD1 3.36Å; N269-D301 PolarHBondContact N-OD1 2.99Å; N269-D301 PolarHBondContact N-OD2 3.31Å; N269-D301 PolarHBondContact ND2-OD1 2.79Å
270P88.8Confident92.9Very high19 Ų1954.4 Ų54.412%0.12327%0.269CS..PPolyproline II helixtrans-75.9148.4174.230.1-34.3000111.3P368 F369P270-P368 VanDerWaalsContact CB-O 3.24Å; P270-P368 WeakPolarHBondContact CB-O 3.37Å; P270-F369 HydrophobicContact CB-CD1 4.3Å
271P92.3Very high92.8Very high0 Ų053.6 Ų53.60%027%0.269CS..PPolyproline II helixtrans-64.9140.3178.624.8-35.5000109.6A297 D299 N356 D371P271-A297 HydrophobicContact CB-CB 4.12Å; P271-D299 WeakPolarHBondContact CD-OD2 3.5Å; P271-N356 WeakPolarHBondContact CD-OD1 3.45Å; P271-D371 WeakPolarHBondContact O-CB 3.32Å
272R92.8Very high92.9Very high117 Ų11754 Ų5444%0.44227%0.272SS..BIsolated β-bridgetrans-129.5126.8-178.7-64.3-60.2-179.4-171.7-4.6112K298R272-K298 PolarHBondContact N-O 3.44Å; R272-K298 PolarHBondContact O-N 3.1Å
273F94.9Very high92.9Very high17 Ų1756.1 Ų56.18%0.07528%0.281CS..  trans-72.2128.4168.2-72.4-81.9000109.7Q275 Y278 V295 A297 Y310 V352 D371 T373F273-Q275 WeakPolarHBondContact CB-O 3.36Å; F273-Q275 PolarHBondContact O-N 3.5Å; F273-Y278 HydrophobicContact CD1-CE2 4.2Å; F273-V295 HydrophobicContact CE1-CB 4.15Å; F273-V295 HydrophobicContact CE1-CG2 4.34Å; F273-A297 HydrophobicContact CD1-CB 4.03Å; F273-A297 HydrophobicContact CD2-CB 4.26Å; F273-A297 HydrophobicContact CE1-CB 3.92Å; F273-A297 HydrophobicContact CE2-CB 4.14Å; F273-A297 HydrophobicContact CG-CB 4.21Å; F273-A297 HydrophobicContact CZ-CB 3.97Å; F273-Y310 HydrophobicContact CE1-CD1 4.34Å; F273-Y310 AromaticContact CE1-CE1 3.75Å; F273-Y310 HydrophobicContact CE1-CE1 3.75Å; F273-Y310 AromaticContact CZ-CD1 3.97Å; F273-Y310 HydrophobicContact CZ-CD1 3.97Å; F273-Y310 AromaticContact CZ-CE1 3.69Å; F273-Y310 HydrophobicContact CZ-CE1 3.69Å; F273-V352 HydrophobicContact CZ-CG1 4.34Å; F273-D371 HydrophobicContact CD2-CB 4.08Å; F273-D371 WeakPolarHBondContact CE2-O 3.35Å; F273-D371 PolarHBondContact N-OD2 3.44Å; F273-T373 HydrophobicContact CB-CG2 4.44Å; F273-T373 HydrophobicContact CD1-CG2 3.6Å; F273-T373 HydrophobicContact CD2-CG2 3.98Å; F273-T373 HydrophobicContact CE1-CG2 3.69Å; F273-T373 HydrophobicContact CE2-CG2 4.06Å; F273-T373 HydrophobicContact CG-CG2 3.74Å; F273-T373 HydrophobicContact CZ-CG2 3.92Å
274P93.4Very high92.9Very high101 Ų10156.2 Ų56.266%0.65628%0.281SS*.SBendtrans-65.9-23.3177.726.9-33.6000112Y278 V296P274-Y278 WeakPolarHBondContact CD-OH 3.41Å; P274-Y278 WeakPolarHBondContact CG-OH 3.35Å; P274-V296 WeakPolarHBondContact CD-O 3.44Å
275Q92.9Very high92.9Very high105 Ų10557.9 Ų57.949%0.49129%0.293SS..  trans-124.6137.6178.2-58.4178.4-4.300110.7F273 H277 Y278 T373F273-Q275 WeakPolarHBondContact CB-O 3.36Å; F273-Q275 PolarHBondContact O-N 3.5Å; Q275-H277 VanDerWaalsContact C-N 3.35Å; Q275-Y278 HydrophobicContact CB-CD2 4.37Å; Q275-Y278 HydrophobicContact CB-CE1 4.32Å; Q275-Y278 HydrophobicContact CB-CE2 3.85Å; Q275-Y278 WeakPolarHBondContact O-CE2 3.47Å; Q275-T373 PolarHBondContact O-OG1 2.8Å
276K92.2Very high93.1Very high172 Ų17257.1 Ų57.175%0.74829%0.291SS*.SBendtrans-78.5-21.8174.6-64.3-171.6177.9-175.80113.5T373 T374K276-T373 PolarHBondContact O-OG1 3.39Å; K276-T373 VanDerWaalsContact O-OG1 3.11Å; K276-T374 PolarHBondContact O-N 2.66Å; K276-T374 PolarHBondContact O-OG1 3.14Å
277H95.1Very high93.4Very high135 Ų13561.2 Ų61.263%0.62532%0.318SS*.EExtended strand (participates in β ladder)trans-137.3122.7-176.4-56.4-65.5000108.7Q275 T374Q275-H277 VanDerWaalsContact C-N 3.35Å; H277-T374 CarbonylContact C-O 3.57Å; H277-T374 VanDerWaalsContact CA-O 3.26Å; H277-T374 WeakPolarHBondContact CA-O 3.37Å; H277-T374 PolarHBondContact CE1-OG1 3.41Å; H277-T374 PolarHBondContact ND1-OG1 2.96Å
278Y95.4Very high93.7Very high28 Ų2864.7 Ų64.711%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-106.3142169.2-70.9-95.8000109F273 P274 Q275 M280 V295 T373 T374 V375 H376F273-Y278 HydrophobicContact CD1-CE2 4.2Å; P274-Y278 WeakPolarHBondContact CD-OH 3.41Å; P274-Y278 WeakPolarHBondContact CG-OH 3.35Å; Q275-Y278 HydrophobicContact CB-CD2 4.37Å; Q275-Y278 HydrophobicContact CB-CE1 4.32Å; Q275-Y278 HydrophobicContact CB-CE2 3.85Å; Q275-Y278 WeakPolarHBondContact O-CE2 3.47Å; Y278-M280 HydrophobicContact CD1-CE 4.4Å; Y278-M280 HydrophobicContact CG-CE 4.47Å; Y278-V295 HydrophobicContact CD1-CG1 4.3Å; Y278-V295 HydrophobicContact CD2-CG1 4.14Å; Y278-V295 HydrophobicContact CE2-CG1 4.42Å; Y278-V295 HydrophobicContact CG-CG1 4.09Å; Y278-T373 HydrophobicContact CD2-CG2 3.88Å; Y278-T373 WeakPolarHBondContact CD2-OG1 3.26Å; Y278-T373 HydrophobicContact CE2-CG2 3.84Å; Y278-T374 PolarHBondContact N-O 3.27Å; Y278-V375 WeakPolarHBondContact O-CA 3Å; Y278-H376 PolarHBondContact O-N 3.02Å
279Q96.1Very high94Very high172 Ų17268.4 Ų68.480%0.80437%0.366SS*.EExtended strand (participates in β ladder)trans-116.6129.3171.6-70.7-179-5.400108.4H376Q279-H376 WeakPolarHBondContact CA-O 3.27Å; Q279-H376 HydrophobicContact CG-CB 4.49Å
280M95.4Very high94.4Very high25 Ų2567.9 Ų67.912%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-136.6154.5-179.1-56-178.7179.300108.2Y278 V292 R294 V295 I334 V375 H376 I377 S378Y278-M280 HydrophobicContact CD1-CE 4.4Å; Y278-M280 HydrophobicContact CG-CE 4.47Å; M280-V292 HydrophobicContact CB-CG1 4.11Å; M280-V292 HydrophobicContact SD-CG1 4.5Å; M280-R294 WeakPolarHBondContact CE-O 3.22Å; M280-V295 HydrophobicContact CE-CG1 3.52Å; M280-I334 HydrophobicContact CE-CD1 4.4Å; M280-I334 HydrophobicContact SD-CD1 4.21Å; M280-V375 HydrophobicContact CE-CG1 3.9Å; M280-V375 HydrophobicContact CG-CG1 4.03Å; M280-V375 HydrophobicContact SD-CG1 3.63Å; M280-H376 PolarHBondContact N-O 3.4Å; M280-I377 CarbonylContact O-C 3.36Å; M280-I377 WeakPolarHBondContact O-CA 3.45Å; M280-S378 PolarHBondContact O-N 2.73Å; M280-S378 PolarHBondContact O-OG 3.45Å
281S96.1Very high94.7Very high54 Ų5471.6 Ų71.638%0.37839%0.388SS..EExtended strand (participates in β ladder)trans-127.1152.817264.20000111.4S378 E380S281-S378 VanDerWaalsContact CA-O 3.24Å; S281-S378 WeakPolarHBondContact CA-O 3.4Å; S281-S378 WeakPolarHBondContact CB-OG 3.38Å; S281-E380 WeakPolarHBondContact CB-OE1 3.25Å; S281-E380 PolarHBondContact OG-OE1 3.02Å
282V96.8Very high94.9Very high11 Ų1172.5 Ų72.57%0.06739%0.393CS..EExtended strand (participates in β ladder)trans-145.3135.7177.860.70000108.4A286 V292 F321 V336 L340 I377 S378 V379 E380V282-A286 HydrophobicContact CG2-CB 3.62Å; V282-V292 HydrophobicContact CB-CG1 4.06Å; V282-V292 HydrophobicContact CB-CG2 4.33Å; V282-V292 HydrophobicContact CG1-CG1 4.37Å; V282-V292 HydrophobicContact CG2-CG2 4.23Å; V282-F321 HydrophobicContact CG1-CE1 4.47Å; V282-V336 HydrophobicContact CG2-CG2 4.06Å; V282-L340 HydrophobicContact CB-CD1 4.38Å; V282-L340 HydrophobicContact CG1-CD1 3.52Å; V282-L340 HydrophobicContact CG2-CD1 3.92Å; V282-I377 HydrophobicContact CG1-CG2 3.62Å; V282-S378 PolarHBondContact N-O 3.38Å; V282-S378 VanDerWaalsContact N-O 3.08Å; V282-V379 CarbonylContact O-C 3.59Å; V282-V379 WeakPolarHBondContact O-CA 3.35Å; V282-E380 PolarHBondContact O-N 3.05Å
283L96.1Very high95Very high80 Ų8067.8 Ų67.842%0.41938%0.381SS..EExtended strand (participates in β ladder)trans-66.8142.8174-59.7174000109.4S285 A286 E380 V382L283-S285 PolarHBondContact O-N 3.29Å; L283-A286 WeakPolarHBondContact O-CB 3.46Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; L283-E380 HydrophobicContact CD2-CB 3.9Å; L283-V382 HydrophobicContact CB-CG2 4.05Å; L283-V382 HydrophobicContact CD2-CG2 3.84Å; L283-V382 HydrophobicContact CG-CG2 4.41Å
284E95.3Very high95Very high9 Ų974.4 Ų74.44%0.04241%0.405CS..THydrogen-bonded Turntrans-64.5-30.8176.375-169.9119.700113.4A286 L340 F342 V379 E380 D381 V382E284-A286 PolarHBondContact O-N 2.95Å; E284-L340 HydrophobicContact CB-CB 4.29Å; E284-F342 HydrophobicContact CB-CB 4.45Å; E284-F342 WeakPolarHBondContact OE2-CB 3.23Å; E284-F342 PolarHBondContact OE2-N 2.87Å; E284-V379 HydrophobicContact CB-CG1 3.67Å; E284-E380 PolarHBondContact N-O 2.84Å; E284-D381 WeakPolarHBondContact OE1-CA 3.32Å; E284-V382 HydrophobicContact CG-CB 4.25Å; E284-V382 PolarHBondContact OE1-N 3.02Å
285S94.1Very high95.1Very high79 Ų7969.6 Ų69.655%0.55237%0.374SS*.THydrogen-bonded Turntrans-72.5-0.1174.860.20000113.8L283L283-S285 PolarHBondContact O-N 3.29Å
286A95.1Very high95.2Very high17 Ų1767.8 Ų67.814%0.1437%0.37CS..PPolyproline II helixtrans-63127179.200000110.8V282 L283 E284 S290V282-A286 HydrophobicContact CG2-CB 3.62Å; L283-A286 WeakPolarHBondContact O-CB 3.46Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; E284-A286 PolarHBondContact O-N 2.95Å; A286-S290 WeakPolarHBondContact CB-OG 3.33Å
287P95.2Very high95.2Very high93 Ų9359.7 Ų59.760%0.60434%0.335SS*.PPolyproline II helixtrans-66.4156.4-177.626.7-33.8000111.1S289 S290P287-S289 PolarHBondContact O-N 2.82Å; P287-S290 WeakPolarHBondContact O-CB 3.49Å; P287-S290 PolarHBondContact O-N 2.83Å; P287-S290 PolarHBondContact O-OG 2.93Å
288V94.8Very high95Very high73 Ų7360 Ų6044%0.44234%0.335SS..THydrogen-bonded Turntrans-55.3140.8169.6178.90000109S290 R337 P339V288-S290 VanDerWaalsContact C-N 3.29Å; V288-R337 WeakPolarHBondContact CG1-O 3.47Å; V288-P339 HydrophobicContact CG2-CG 4.24Å
289S94Very high94.9Very high93 Ų9359.5 Ų59.565%0.6533%0.334SS*.THydrogen-bonded Turntrans74.3-0.7-17176.80000116.7P287 V336P287-S289 PolarHBondContact O-N 2.82Å; S289-V336 WeakPolarHBondContact CA-O 3.34Å; S289-V336 PolarHBondContact N-O 2.92Å
290S95.1Very high94.6Very high26 Ų2655.7 Ų55.718%0.18232%0.319CS..  trans-61145.317258.70000111.8A286 P287 V288 T335 V336A286-S290 WeakPolarHBondContact CB-OG 3.33Å; P287-S290 WeakPolarHBondContact O-CB 3.49Å; P287-S290 PolarHBondContact O-N 2.83Å; P287-S290 PolarHBondContact O-OG 2.93Å; V288-S290 VanDerWaalsContact C-N 3.29Å; S290-T335 CarbonylContact O-C 3.57Å; S290-T335 WeakPolarHBondContact O-CA 3.29Å; S290-T335 WeakPolarHBondContact O-CB 3.46Å; S290-V336 PolarHBondContact O-N 3.36Å; S290-V336 VanDerWaalsContact OG-CG2 3.27Å; S290-V336 WeakPolarHBondContact OG-CG2 3.34Å
291T96.1Very high94.4Very high96 Ų9655 Ų5559%0.58932%0.316SS*.EExtended strand (participates in β ladder)trans-83.3120.6179.157.50000110.3I333 T335T291-I333 HydrophobicContact CG2-CG2 3.86Å; T291-T335 HydrophobicContact CG2-CG2 4.24Å
292V96.5Very high94.1Very high19 Ų1957.9 Ų57.912%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-80.6-45.1175.5-177.40000109.8M280 V282 F321 I334 V336 I377M280-V292 HydrophobicContact CB-CG1 4.11Å; M280-V292 HydrophobicContact SD-CG1 4.5Å; V282-V292 HydrophobicContact CB-CG1 4.06Å; V282-V292 HydrophobicContact CB-CG2 4.33Å; V282-V292 HydrophobicContact CG1-CG1 4.37Å; V282-V292 HydrophobicContact CG2-CG2 4.23Å; V292-F321 HydrophobicContact CG2-CD1 3.9Å; V292-F321 HydrophobicContact CG2-CE1 3.77Å; V292-I334 HydrophobicContact CB-CG2 4.27Å; V292-I334 HydrophobicContact CG2-CG2 4.36Å; V292-I334 PolarHBondContact N-O 3.49Å; V292-V336 HydrophobicContact CG2-CG2 3.76Å; V292-I377 HydrophobicContact CG1-CD1 4.05Å; V292-I377 HydrophobicContact CG1-CG1 4.26Å; V292-I377 HydrophobicContact CG1-CG2 3.86Å
293G94.5Very high93.7Very high18 Ų1859.9 Ų59.919%0.18635%0.346CS..EExtended strand (participates in β ladder)trans177.2-177.2-176.300000112.7I334G293-I334 PolarHBondContact O-N 3.3Å
294R95.2Very high93.2Very high157 Ų15760.8 Ų60.859%0.59235%0.35SS*.EExtended strand (participates in β ladder)trans-129.2137.3-174.1-65.8-179.5-176.7-170.8-0.5110M280 V331 G332 I333M280-R294 WeakPolarHBondContact CE-O 3.22Å; R294-V331 HydrophobicContact CB-CG1 3.67Å; R294-V331 HydrophobicContact CG-CG1 4Å; R294-G332 CarbonylContact C-O 3.6Å; R294-G332 WeakPolarHBondContact CA-O 3.46Å; R294-I333 HydrophobicContact CG-CG1 4.32Å
295V95.4Very high92.9Very high0 Ų061.3 Ų61.30%035%0.353CS..EExtended strand (participates in β ladder)trans-120.6140.5171.7-65.80000109.5F273 Y278 M280 Y310 I323 G332 I334 V352 V375F273-V295 HydrophobicContact CE1-CB 4.15Å; F273-V295 HydrophobicContact CE1-CG2 4.34Å; Y278-V295 HydrophobicContact CD1-CG1 4.3Å; Y278-V295 HydrophobicContact CD2-CG1 4.14Å; Y278-V295 HydrophobicContact CE2-CG1 4.42Å; Y278-V295 HydrophobicContact CG-CG1 4.09Å; M280-V295 HydrophobicContact CE-CG1 3.52Å; V295-Y310 HydrophobicContact CG2-CD1 4.21Å; V295-Y310 HydrophobicContact CG2-CE1 4.35Å; V295-I323 HydrophobicContact CG2-CD1 4.1Å; V295-G332 PolarHBondContact N-O 3.21Å; V295-G332 PolarHBondContact O-N 3.28Å; V295-I334 HydrophobicContact CG1-CD1 4.29Å; V295-V352 HydrophobicContact CG2-CG1 3.99Å; V295-V375 HydrophobicContact CG1-CG2 3.84Å
296V93.9Very high92.6Very high66 Ų6658 Ų5840%0.433%0.331SS..  trans-133120-177.4-176.10000108.6P274 Y310 V331P274-V296 WeakPolarHBondContact CD-O 3.44Å; V296-Y310 WeakPolarHBondContact CA-OH 3.4Å; V296-V331 HydrophobicContact CG2-CB 4.18Å; V296-V331 HydrophobicContact CG2-CG1 3.74Å; V296-V331 HydrophobicContact CG2-CG2 3.74Å
297A93.3Very high92.4Very high2 Ų261 Ų612%0.01734%0.341CS..  trans-86.4143.5161.900000108.6P271 F273 M308 Y310P271-A297 HydrophobicContact CB-CB 4.12Å; F273-A297 HydrophobicContact CD1-CB 4.03Å; F273-A297 HydrophobicContact CD2-CB 4.26Å; F273-A297 HydrophobicContact CE1-CB 3.92Å; F273-A297 HydrophobicContact CE2-CB 4.14Å; F273-A297 HydrophobicContact CG-CB 4.21Å; F273-A297 HydrophobicContact CZ-CB 3.97Å; A297-M308 HydrophobicContact CB-SD 4.23Å; A297-Y310 HydrophobicContact CB-CE1 4.25Å; A297-Y310 PolarHBondContact N-OH 3.18Å
298K91.6Very high92.1Very high141 Ų14157 Ų5761%0.61332%0.315SS*.BIsolated β-bridgetrans-102.2123.9175.6-173.4177-179.7-176.80108.8R272R272-K298 PolarHBondContact N-O 3.44Å; R272-K298 PolarHBondContact O-N 3.1Å
299D91.8Very high92Very high19 Ų1960.4 Ų60.410%0.10232%0.324CS..  trans-105.3148.9167.8-150.4-50.5000108.9N269 P271 D301 A306 M308 N356N269-D299 VanDerWaalsContact O-OD1 3.13Å; P271-D299 WeakPolarHBondContact CD-OD2 3.5Å; D299-D301 PolarHBondContact OD1-N 2.89Å; D299-D301 VanDerWaalsContact OD1-N 3.13Å; D299-A306 HydrophobicContact CB-CB 3.95Å; D299-M308 HydrophobicContact CB-CE 4.15Å; D299-N356 PolarHBondContact OD2-ND2 3.27Å
300L90.8Very high92.1Very high91 Ų9156.3 Ų56.348%0.47629%0.294SS..  trans-97.5-15.6179-64.8-178.8000112.7R231 E232 N269R231-L300 PolarHBondContact NH2-O 2.74Å; E232-L300 HydrophobicContact CG-CB 4.03Å; N269-L300 HydrophobicContact CB-CB 3.98Å
301D91.8Very high92.1Very high12 Ų1257.1 Ų57.16%0.06430%0.3CS..SBendtrans-73.3179179.2-57.9-16.2000110.9N267 D268 N269 D299 N305 A306N267-D301 VanDerWaalsContact CA-OD2 3.25Å; N267-D301 WeakPolarHBondContact CA-OD2 3.38Å; N267-D301 PolarHBondContact OD1-OD2 2.69Å; D268-D301 PolarHBondContact N-OD2 3.44Å; N269-D301 WeakPolarHBondContact CB-OD1 3.36Å; N269-D301 PolarHBondContact N-OD1 2.99Å; N269-D301 PolarHBondContact N-OD2 3.31Å; N269-D301 PolarHBondContact ND2-OD1 2.79Å; D299-D301 PolarHBondContact OD1-N 2.89Å; D299-D301 VanDerWaalsContact OD1-N 3.13Å; D301-N305 HydrophobicContact CB-CB 3.81Å; D301-A306 HydrophobicContact CB-CB 4.28Å; D301-A306 VanDerWaalsContact O-CB 3.24Å; D301-A306 WeakPolarHBondContact O-CB 3.49Å
302E89Confident92.1Very high113 Ų11354.1 Ų54.153%0.52828%0.28SS..  trans-124.6150.9-177.2-165.8170.3166.100113.8R231 D265 I304 N305R231-E302 IonicContact CZ-OE2 3.51Å; R231-E302 IonicContact NH1-OE2 3.04Å; R231-E302 PolarHBondContact NH1-OE2 3.16Å; D265-E302 HydrophobicContact CB-CB 4.43Å; D265-E302 VanDerWaalsContact CG-N 3.3Å; D265-E302 PolarHBondContact OD1-N 3.49Å; D265-E302 VanDerWaalsContact OD1-N 3.16Å; D265-E302 PolarHBondContact OD2-N 3.12Å; E302-I304 PolarHBondContact O-N 3.22Å; E302-I304 VanDerWaalsContact O-N 3.16Å; E302-N305 PolarHBondContact O-N 2.79Å
303G87.4Confident92.1Very high53 Ų5356.2 Ų56.255%0.54629%0.293SS..THydrogen-bonded Turntrans60.4-118.917300000112.8N305 E307G303-N305 VanDerWaalsContact C-N 3.32Å; G303-E307 PolarHBondContact O-N 2.9Å
304I87.1Confident92.1Very high99 Ų9959.9 Ų59.951%0.50831%0.308SS..THydrogen-bonded Turntrans-74.4-23.3-174.7-155.5163.8000112.9E302 E307 H358E302-I304 PolarHBondContact O-N 3.22Å; E302-I304 VanDerWaalsContact O-N 3.16Å; I304-E307 PolarHBondContact O-N 2.85Å; I304-H358 WeakPolarHBondContact CG1-CD2 3.5Å; I304-H358 WeakPolarHBondContact CG1-NE2 3.29Å
305N87.8Confident92Very high21 Ų2153.8 Ų53.811%0.11229%0.294CS..SBendtrans-76.7-35.3-179.8-66.1-33.5000110.8D265 N267 D301 E302 G303 E307 N356D265-N305 PolarHBondContact O-ND2 3.48Å; D265-N305 VanDerWaalsContact OD2-CB 3.26Å; D265-N305 WeakPolarHBondContact OD2-CB 3.35Å; D265-N305 PolarHBondContact OD2-ND2 2.81Å; N267-N305 HydrophobicContact CB-CB 3.79Å; D301-N305 HydrophobicContact CB-CB 3.81Å; E302-N305 PolarHBondContact O-N 2.79Å; G303-N305 VanDerWaalsContact C-N 3.32Å; N305-E307 VanDerWaalsContact C-N 3.33Å; N305-N356 PolarHBondContact O-ND2 2.66Å
306A88.5Confident91.9Very high9 Ų957.2 Ų57.27%0.07431%0.312CS..SBendtrans-82.5-1.9171.600000114.8D299 D301 M308 Q330D299-A306 HydrophobicContact CB-CB 3.95Å; D301-A306 HydrophobicContact CB-CB 4.28Å; D301-A306 VanDerWaalsContact O-CB 3.24Å; D301-A306 WeakPolarHBondContact O-CB 3.49Å; A306-M308 WeakPolarHBondContact O-CE 3.06Å; A306-M308 PolarHBondContact O-N 2.59Å; A306-Q330 PolarHBondContact O-OE1 3.36Å
307E90Very high91.8Very high79 Ų7954 Ų5437%0.36929%0.293SS..  trans-66.9121.9178.6-169.5-169.4-156.200111.1G303 I304 N305 N356 S357 H358G303-E307 PolarHBondContact O-N 2.9Å; I304-E307 PolarHBondContact O-N 2.85Å; N305-E307 VanDerWaalsContact C-N 3.33Å; E307-N356 CarbonylContact O-C 3.58Å; E307-N356 WeakPolarHBondContact O-CA 3.37Å; E307-S357 WeakPolarHBondContact CB-OG 3.15Å; E307-S357 PolarHBondContact O-N 3.05Å; E307-S357 PolarHBondContact O-OG 3.42Å; E307-S357 PolarHBondContact OE2-OG 2.81Å; E307-H358 IonicContact OE2-CD2 3.73Å; E307-H358 PolarHBondContact OE2-CD2 3.39Å; E307-H358 IonicContact OE2-NE2 3.73Å; E307-H358 PolarHBondContact OE2-NE2 2.89Å
308M90.1Very high91.8Very high11 Ų1157.3 Ų57.35%0.05431%0.31CS..EExtended strand (participates in β ladder)trans-120.2150.1-173.664.7-170.277.400112.3A297 D299 A306 Y310 T325 Q330 A355A297-M308 HydrophobicContact CB-SD 4.23Å; D299-M308 HydrophobicContact CB-CE 4.15Å; A306-M308 WeakPolarHBondContact O-CE 3.06Å; A306-M308 PolarHBondContact O-N 2.59Å; M308-Y310 HydrophobicContact CG-CE2 3.68Å; M308-Y310 HydrophobicContact SD-CE2 3.73Å; M308-Y310 VanDerWaalsContact SD-CZ 3.53Å; M308-Y310 PolarHBondContact SD-OH 3.37Å; M308-T325 WeakPolarHBondContact O-CG2 3.41Å; M308-Q330 HydrophobicContact CE-CB 4.23Å; M308-Q330 HydrophobicContact CG-CB 3.96Å; M308-Q330 HydrophobicContact SD-CB 4.19Å; M308-A355 CarbonylContact C-O 3.54Å; M308-A355 WeakPolarHBondContact CA-O 3.39Å
309K93Very high91.9Very high144 Ų14454.4 Ų54.463%0.62630%0.301SS*.EExtended strand (participates in β ladder)trans-123.2131.3173.9-173.5176.7-177.5176.70109.9A355K309-A355 PolarHBondContact N-O 3.05Å; K309-A355 PolarHBondContact O-N 3.03Å
310Y95.5Very high92Very high6 Ų654 Ų542%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-97.8143.6177-62-94000111.8F273 V295 V296 A297 M308 I323 T325 Q330 G332 V352 E353F273-Y310 HydrophobicContact CE1-CD1 4.34Å; F273-Y310 AromaticContact CE1-CE1 3.75Å; F273-Y310 HydrophobicContact CE1-CE1 3.75Å; F273-Y310 AromaticContact CZ-CD1 3.97Å; F273-Y310 HydrophobicContact CZ-CD1 3.97Å; F273-Y310 AromaticContact CZ-CE1 3.69Å; F273-Y310 HydrophobicContact CZ-CE1 3.69Å; V295-Y310 HydrophobicContact CG2-CD1 4.21Å; V295-Y310 HydrophobicContact CG2-CE1 4.35Å; V296-Y310 WeakPolarHBondContact CA-OH 3.4Å; A297-Y310 HydrophobicContact CB-CE1 4.25Å; A297-Y310 PolarHBondContact N-OH 3.18Å; M308-Y310 HydrophobicContact CG-CE2 3.68Å; M308-Y310 HydrophobicContact SD-CE2 3.73Å; M308-Y310 VanDerWaalsContact SD-CZ 3.53Å; M308-Y310 PolarHBondContact SD-OH 3.37Å; Y310-I323 HydrophobicContact CG-CD1 4.5Å; Y310-T325 HydrophobicContact CD2-CG2 3.84Å; Y310-T325 HydrophobicContact CE2-CG2 4.28Å; Y310-T325 PolarHBondContact N-OG1 3.03Å; Y310-Q330 VanDerWaalsContact CE2-O 3.28Å; Y310-Q330 WeakPolarHBondContact CE2-O 3.2Å; Y310-Q330 PolarHBondContact OH-O 3.45Å; Y310-G332 VanDerWaalsContact CE2-N 3.32Å; Y310-V352 HydrophobicContact CD1-CG1 4.17Å; Y310-E353 CarbonylContact C-O 3.56Å; Y310-E353 VanDerWaalsContact CA-O 3.28Å; Y310-E353 WeakPolarHBondContact CA-O 3.35Å
311S95.4Very high92.3Very high43 Ų4349.7 Ų49.730%0.30128%0.277SS..EExtended strand (participates in β ladder)trans-148.9152.417564.40000112.2V352 E353S311-V352 WeakPolarHBondContact O-CA 3.5Å; S311-E353 PolarHBondContact N-O 3.25Å; S311-E353 PolarHBondContact O-N 3.42Å
312L96.4Very high92.6Very high34 Ų3452.9 Ų52.918%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-88115.8170.6-57.2179.7000108.5L318 F321 I323 L350 V352L312-L318 HydrophobicContact CB-CD2 3.53Å; L312-F321 HydrophobicContact CD1-CB 4.41Å; L312-I323 HydrophobicContact CD2-CB 4.09Å; L312-I323 HydrophobicContact CD2-CD1 4.4Å; L312-I323 HydrophobicContact CD2-CG2 4.04Å; L312-I323 HydrophobicContact CG-CB 4.02Å; L312-I323 HydrophobicContact CG-CG2 3.67Å; L312-L350 HydrophobicContact CD1-CD1 4.4Å; L312-L350 HydrophobicContact CD2-CB 4.35Å; L312-L350 HydrophobicContact CD2-CD1 4.19Å; L312-V352 HydrophobicContact CD2-CG2 3.8Å
313V95.1Very high92.9Very high62 Ų6248.4 Ų48.438%0.37627%0.273SS..EExtended strand (participates in β ladder)trans-104.6-25.8-172.8-68.60000113.7K351 E353V313-K351 HydrophobicContact CG2-CB 4.11Å; V313-K351 HydrophobicContact CG2-CD 4.06Å; V313-K351 HydrophobicContact CG2-CG 3.87Å; V313-K351 WeakPolarHBondContact CG2-O 3.21Å; V313-K351 PolarHBondContact N-O 3.11Å; V313-E353 HydrophobicContact CB-CB 4.46Å; V313-E353 HydrophobicContact CG1-CB 3.52Å; V313-E353 HydrophobicContact CG1-CG 4.36Å; V313-E353 HydrophobicContact CG2-CB 4.06Å
314D94.4Very high93.3Very high96 Ų9651 Ų5151%0.51328%0.275SS..EExtended strand (participates in β ladder)trans-157.7165.1-179-164.210000109.7K351D314-K351 HydrophobicContact CB-CB 3.84Å; D314-K351 HydrophobicContact CB-CD 4.02Å; D314-K351 WeakPolarHBondContact O-CB 3.33Å; D314-K351 PolarHBondContact O-N 2.97Å
315G93.5Very high93.6Very high28 Ų2847.6 Ų47.629%0.28926%0.258SS..EExtended strand (participates in β ladder)trans128.8171.2177.700000114.1L318 T349G315-L318 WeakPolarHBondContact O-CG 3.36Å; G315-T349 CarbonylContact C-O 3.51Å; G315-T349 WeakPolarHBondContact CA-O 3.47Å
316D93.9Very high93.8Very high72 Ų7248 Ų4839%0.38526%0.261SS..THydrogen-bonded Turntrans-98.69.2-173.668.7-11.8000113.6K345 Y348 T349D316-K345 PolarHBondContact O-NZ 2.88Å; D316-K345 IonicContact OD1-NZ 2.83Å; D316-K345 VanDerWaalsContact OD2-CE 3.29Å; D316-K345 WeakPolarHBondContact OD2-CE 3.44Å; D316-K345 IonicContact OD2-NZ 2.65Å; D316-K345 PolarHBondContact OD2-NZ 2.85Å; D316-Y348 WeakPolarHBondContact O-CD1 3.42Å; D316-Y348 WeakPolarHBondContact OD1-CA 3.29Å; D316-T349 PolarHBondContact N-O 3.5Å; D316-T349 VanDerWaalsContact N-O 3.11Å; D316-T349 PolarHBondContact OD1-N 3.01Å; D316-T349 VanDerWaalsContact OD1-O 3.1Å
317G91.6Very high93.7Very high0 Ų052.6 Ų52.60%029%0.29CS..THydrogen-bonded Turntrans-125.818.7176.500000113.8D319 V320 F321G317-D319 PolarHBondContact O-N 3.37Å; G317-V320 PolarHBondContact O-N 2.92Å; G317-V320 VanDerWaalsContact O-N 3.07Å; G317-F321 PolarHBondContact O-N 3.13Å
318L93.5Very high93.5Very high70 Ų7055.2 Ų55.237%0.36631%0.306SS..THydrogen-bonded Turntrans-61.3-24.6-179.4-69.1174.9000113.9L312 G315L312-L318 HydrophobicContact CB-CD2 3.53Å; G315-L318 WeakPolarHBondContact O-CG 3.36Å
319D92.6Very high93.4Very high80 Ų8062.9 Ų62.943%0.42834%0.336SS..THydrogen-bonded Turntrans-95.8-12.6177.172.7-51.9000113G317 K338G317-D319 PolarHBondContact O-N 3.37Å; D319-K338 VanDerWaalsContact O-CD 3.23Å; D319-K338 WeakPolarHBondContact O-CD 3.26Å; D319-K338 WeakPolarHBondContact O-CE 3.34Å; D319-K338 WeakPolarHBondContact O-CG 3.44Å; D319-K338 IonicContact OD2-NZ 3.84Å; D319-K338 PolarHBondContact OD2-NZ 3.03Å
320V95.3Very high93.2Very high11 Ų1158.7 Ų58.77%0.06732%0.318CS..THydrogen-bonded Turntrans-100.4-33.2-176.5179.50000112.1G317 R337 K338 L340 Y348G317-V320 PolarHBondContact O-N 2.92Å; G317-V320 VanDerWaalsContact O-N 3.07Å; V320-R337 WeakPolarHBondContact O-CA 3.41Å; V320-R337 VanDerWaalsContact O-CB 3.27Å; V320-R337 WeakPolarHBondContact O-CB 3.41Å; V320-R337 PolarHBondContact O-N 3.13Å; V320-K338 PolarHBondContact O-N 3.43Å; V320-L340 HydrophobicContact CG1-CD2 3.28Å; V320-Y348 HydrophobicContact CB-CE1 4.3Å; V320-Y348 HydrophobicContact CG1-CE1 4.46Å; V320-Y348 HydrophobicContact CG2-CE1 3.88Å
321F97.1Very high93.1Very high1 Ų159.2 Ų59.20%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-116159.6179.9-60.1-79.4000111.6V282 V292 L312 G317 I334 T335 V336 L340 Y348 L350 I377V282-F321 HydrophobicContact CG1-CE1 4.47Å; V292-F321 HydrophobicContact CG2-CD1 3.9Å; V292-F321 HydrophobicContact CG2-CE1 3.77Å; L312-F321 HydrophobicContact CD1-CB 4.41Å; G317-F321 PolarHBondContact O-N 3.13Å; F321-I334 HydrophobicContact CB-CG2 4.26Å; F321-I334 HydrophobicContact CD1-CG2 4.35Å; F321-T335 CarbonylContact C-O 3.52Å; F321-T335 WeakPolarHBondContact CA-O 3.48Å; F321-V336 HydrophobicContact CE1-CG2 4.22Å; F321-L340 HydrophobicContact CE1-CD2 4.35Å; F321-L340 HydrophobicContact CZ-CD2 3.94Å; F321-Y348 HydrophobicContact CE2-CD1 4.14Å; F321-Y348 AromaticContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CE2 4.31Å; F321-Y348 AromaticContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CZ-CD2 4.08Å; F321-Y348 HydrophobicContact CZ-CG 4.42Å; F321-L350 HydrophobicContact CB-CD1 3.85Å; F321-L350 HydrophobicContact CD2-CD1 3.97Å; F321-L350 HydrophobicContact CD2-CD2 4.29Å; F321-L350 HydrophobicContact CD2-CG 4.48Å; F321-L350 HydrophobicContact CG-CD1 4.01Å; F321-I377 HydrophobicContact CD1-CD1 4.04Å; F321-I377 HydrophobicContact CD2-CD1 4.1Å; F321-I377 HydrophobicContact CE1-CD1 3.94Å; F321-I377 HydrophobicContact CE1-CG2 4.32Å; F321-I377 HydrophobicContact CE2-CD1 4Å; F321-I377 HydrophobicContact CG-CD1 4.12Å; F321-I377 HydrophobicContact CZ-CB 4.45Å; F321-I377 HydrophobicContact CZ-CD1 3.92Å; F321-I377 HydrophobicContact CZ-CG2 3.94Å
322D96.3Very high93.1Very high79 Ų7957.1 Ų57.142%0.42231%0.308SS..EExtended strand (participates in β ladder)trans-131162.2171-158.63.1000109.9I334 T335 R337D322-I334 CarbonylContact O-C 3.54Å; D322-I334 WeakPolarHBondContact O-CA 2.92Å; D322-T335 PolarHBondContact N-O 3.31Å; D322-T335 PolarHBondContact O-N 2.96Å; D322-R337 HydrophobicContact CB-CB 4.41Å
323I96.8Very high93.1Very high18 Ų1856.7 Ų56.79%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-131.8127.5174.6-165168.3000110.7V295 Y310 L312 I333 I334 V352V295-I323 HydrophobicContact CG2-CD1 4.1Å; Y310-I323 HydrophobicContact CG-CD1 4.5Å; L312-I323 HydrophobicContact CD2-CB 4.09Å; L312-I323 HydrophobicContact CD2-CD1 4.4Å; L312-I323 HydrophobicContact CD2-CG2 4.04Å; L312-I323 HydrophobicContact CG-CB 4.02Å; L312-I323 HydrophobicContact CG-CG2 3.67Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; I323-I334 HydrophobicContact CD1-CG1 3.94Å; I323-I334 HydrophobicContact CG1-CG1 4.11Å; I323-V352 HydrophobicContact CD1-CG1 3.54Å; I323-V352 HydrophobicContact CD1-CG2 4.27Å
324N94.6Very high93.2Very high108 Ų10853.7 Ų53.758%0.57829%0.287SS*.EExtended strand (participates in β ladder)trans-113.6146172.6-170.726.3000110.6I333N324-I333 PolarHBondContact N-O 3.08Å; N324-I333 PolarHBondContact O-N 2.81Å
325T94.8Very high93.3Very high27 Ų2750.5 Ų50.517%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-94.4122.9174-54.90000109.1M308 Y310 P327 V331M308-T325 WeakPolarHBondContact O-CG2 3.41Å; Y310-T325 HydrophobicContact CD2-CG2 3.84Å; Y310-T325 HydrophobicContact CE2-CG2 4.28Å; Y310-T325 PolarHBondContact N-OG1 3.03Å; T325-P327 WeakPolarHBondContact O-CD 3.36Å; T325-V331 WeakPolarHBondContact CA-O 3.47Å
326D92Very high93.4Very high30 Ų3049.2 Ų49.216%0.1626%0.258CS..EExtended strand (participates in β ladder)trans-74117.1170.7-170.4-38.2000109.4N328 Y329 Q330 V331 I333D326-N328 VanDerWaalsContact C-N 3.28Å; D326-N328 PolarHBondContact O-N 2.87Å; D326-N328 PolarHBondContact OD1-N 2.74Å; D326-Y329 PolarHBondContact OD1-N 2.74Å; D326-Q330 VanDerWaalsContact O-CA 3.23Å; D326-Q330 WeakPolarHBondContact O-CA 3.38Å; D326-Q330 PolarHBondContact O-N 2.91Å; D326-V331 PolarHBondContact N-O 2.79Å; D326-I333 HydrophobicContact CB-CD1 4.15Å
327P86.4Confident93.5Very high105 Ų10552.7 Ų52.768%0.68227%0.265SS*.THydrogen-bonded Turntrans-69.8-22.5-175.928.9-35.4000113.4T325T325-P327 WeakPolarHBondContact O-CD 3.36Å
328N85.9Confident93.7Very high134 Ų13457 Ų5772%0.71728%0.284SS*.THydrogen-bonded Turntrans-84.2-39.3-176.6-61.2-50.4000111.9D326D326-N328 VanDerWaalsContact C-N 3.28Å; D326-N328 PolarHBondContact O-N 2.87Å; D326-N328 PolarHBondContact OD1-N 2.74Å
329Y86.5Confident93.7Very high173 Ų17358.9 Ų58.968%0.67830%0.3SS*.THydrogen-bonded Turntrans-108.2-5.1-174.4-58.8-77.5000113.4D326 V331D326-Y329 PolarHBondContact OD1-N 2.74Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 WeakPolarHBondContact O-CG2 3.48Å; Y329-V331 PolarHBondContact O-N 3.14Å
330Q89.4Confident93.8Very high56 Ų5655.9 Ų55.926%0.26228%0.284SS..THydrogen-bonded Turntrans54.344.6-177.6-64.5-179.1-13.700112.8A306 M308 Y310 D326A306-Q330 PolarHBondContact O-OE1 3.36Å; M308-Q330 HydrophobicContact CE-CB 4.23Å; M308-Q330 HydrophobicContact CG-CB 3.96Å; M308-Q330 HydrophobicContact SD-CB 4.19Å; Y310-Q330 VanDerWaalsContact CE2-O 3.28Å; Y310-Q330 WeakPolarHBondContact CE2-O 3.2Å; Y310-Q330 PolarHBondContact OH-O 3.45Å; D326-Q330 VanDerWaalsContact O-CA 3.23Å; D326-Q330 WeakPolarHBondContact O-CA 3.38Å; D326-Q330 PolarHBondContact O-N 2.91Å
331V93.2Very high93.7Very high16 Ų1656.9 Ų56.910%0.09729%0.292CS..EExtended strand (participates in β ladder)trans-111.9136.8-177.3179.10000110.7R294 V296 T325 D326 Y329 I333R294-V331 HydrophobicContact CB-CG1 3.67Å; R294-V331 HydrophobicContact CG-CG1 4Å; V296-V331 HydrophobicContact CG2-CB 4.18Å; V296-V331 HydrophobicContact CG2-CG1 3.74Å; V296-V331 HydrophobicContact CG2-CG2 3.74Å; T325-V331 WeakPolarHBondContact CA-O 3.47Å; D326-V331 PolarHBondContact N-O 2.79Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 WeakPolarHBondContact O-CG2 3.48Å; Y329-V331 PolarHBondContact O-N 3.14Å; V331-I333 HydrophobicContact CG1-CG1 4.5Å; V331-I333 PolarHBondContact O-N 3.08Å
332G94.9Very high93.5Very high0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-82.1110.3170.100000110.7R294 V295 Y310R294-G332 CarbonylContact C-O 3.6Å; R294-G332 WeakPolarHBondContact CA-O 3.46Å; V295-G332 PolarHBondContact N-O 3.21Å; V295-G332 PolarHBondContact O-N 3.28Å; Y310-G332 VanDerWaalsContact CE2-N 3.32Å
333I96.3Very high93.2Very high24 Ų2457.8 Ų57.812%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-96.5116.6177.6-54.1176.8000108.6T291 R294 I323 N324 D326 V331 T335T291-I333 HydrophobicContact CG2-CG2 3.86Å; R294-I333 HydrophobicContact CG-CG1 4.32Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; N324-I333 PolarHBondContact N-O 3.08Å; N324-I333 PolarHBondContact O-N 2.81Å; D326-I333 HydrophobicContact CB-CD1 4.15Å; V331-I333 HydrophobicContact CG1-CG1 4.5Å; V331-I333 PolarHBondContact O-N 3.08Å; I333-T335 HydrophobicContact CG2-CG2 4.12Å
334I97.2Very high92.9Very high0 Ų061.7 Ų61.70%032%0.322CS..EExtended strand (participates in β ladder)trans-89.3128.4176.9-58.8172.2000108.6M280 V292 G293 V295 F321 D322 I323 L350 V352 V375 I377M280-I334 HydrophobicContact CE-CD1 4.4Å; M280-I334 HydrophobicContact SD-CD1 4.21Å; V292-I334 HydrophobicContact CB-CG2 4.27Å; V292-I334 HydrophobicContact CG2-CG2 4.36Å; V292-I334 PolarHBondContact N-O 3.49Å; G293-I334 PolarHBondContact O-N 3.3Å; V295-I334 HydrophobicContact CG1-CD1 4.29Å; F321-I334 HydrophobicContact CB-CG2 4.26Å; F321-I334 HydrophobicContact CD1-CG2 4.35Å; D322-I334 CarbonylContact O-C 3.54Å; D322-I334 WeakPolarHBondContact O-CA 2.92Å; I323-I334 HydrophobicContact CD1-CG1 3.94Å; I323-I334 HydrophobicContact CG1-CG1 4.11Å; I334-L350 HydrophobicContact CG2-CD1 4.26Å; I334-V352 HydrophobicContact CD1-CG2 4.23Å; I334-V375 HydrophobicContact CD1-CB 4.39Å; I334-V375 HydrophobicContact CD1-CG1 4.03Å; I334-V375 HydrophobicContact CD1-CG2 4.09Å; I334-I377 HydrophobicContact CG2-CD1 4.23Å
335T96.9Very high92.8Very high29 Ų2959.8 Ų59.818%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-127.1153.2-177.354.20000112.3S290 T291 F321 D322 I333S290-T335 CarbonylContact O-C 3.57Å; S290-T335 WeakPolarHBondContact O-CA 3.29Å; S290-T335 WeakPolarHBondContact O-CB 3.46Å; T291-T335 HydrophobicContact CG2-CG2 4.24Å; F321-T335 CarbonylContact C-O 3.52Å; F321-T335 WeakPolarHBondContact CA-O 3.48Å; D322-T335 PolarHBondContact N-O 3.31Å; D322-T335 PolarHBondContact O-N 2.96Å; I333-T335 HydrophobicContact CG2-CG2 4.12Å
336V97.1Very high92.8Very high1 Ų164 Ų641%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-73.3127.2174.1-179.50000110V282 S289 S290 V292 F321 K338 L340V282-V336 HydrophobicContact CG2-CG2 4.06Å; S289-V336 WeakPolarHBondContact CA-O 3.34Å; S289-V336 PolarHBondContact N-O 2.92Å; S290-V336 PolarHBondContact O-N 3.36Å; S290-V336 VanDerWaalsContact OG-CG2 3.27Å; S290-V336 WeakPolarHBondContact OG-CG2 3.34Å; V292-V336 HydrophobicContact CG2-CG2 3.76Å; F321-V336 HydrophobicContact CE1-CG2 4.22Å; V336-K338 WeakPolarHBondContact CG1-O 3.48Å; V336-L340 HydrophobicContact CG1-CD1 4.48Å; V336-L340 HydrophobicContact CG1-CG 4.21Å; V336-L340 HydrophobicContact CG2-CD1 4.2Å
337R95.3Very high92.9Very high145 Ų14564.8 Ų64.855%0.54733%0.333SS..  trans-103-30.2178-175.2-179.3176.6173.92.5112.7V288 V320 D322V288-R337 WeakPolarHBondContact CG1-O 3.47Å; V320-R337 WeakPolarHBondContact O-CA 3.41Å; V320-R337 VanDerWaalsContact O-CB 3.27Å; V320-R337 WeakPolarHBondContact O-CB 3.41Å; V320-R337 PolarHBondContact O-N 3.13Å; D322-R337 HydrophobicContact CB-CB 4.41Å
338K94.9Very high93.4Very high91 Ų9160.8 Ų60.840%0.39630%0.304SS..SBendtrans-129.3152.1177.2-68.4-177.3-175.7171.60110.5D319 V320 V336D319-K338 VanDerWaalsContact O-CD 3.23Å; D319-K338 WeakPolarHBondContact O-CD 3.26Å; D319-K338 WeakPolarHBondContact O-CE 3.34Å; D319-K338 WeakPolarHBondContact O-CG 3.44Å; D319-K338 IonicContact OD2-NZ 3.84Å; D319-K338 PolarHBondContact OD2-NZ 3.03Å; V320-K338 PolarHBondContact O-N 3.43Å; V336-K338 WeakPolarHBondContact CG1-O 3.48Å
339P94.4Very high93.9Very high109 Ų10957.4 Ų57.471%0.70829%0.288SS*.  trans-52.4140.3171.9-23.133.3000111.2V288V288-P339 HydrophobicContact CG2-CG 4.24Å
340L94.5Very high94.4Very high16 Ų1649.2 Ų49.28%0.08426%0.256CS..  trans-95.7155.2178.8-59.3176000109.2V282 E284 V320 F321 V336 Y348 V379V282-L340 HydrophobicContact CB-CD1 4.38Å; V282-L340 HydrophobicContact CG1-CD1 3.52Å; V282-L340 HydrophobicContact CG2-CD1 3.92Å; E284-L340 HydrophobicContact CB-CB 4.29Å; V320-L340 HydrophobicContact CG1-CD2 3.28Å; F321-L340 HydrophobicContact CE1-CD2 4.35Å; F321-L340 HydrophobicContact CZ-CD2 3.94Å; V336-L340 HydrophobicContact CG1-CD1 4.48Å; V336-L340 HydrophobicContact CG1-CG 4.21Å; V336-L340 HydrophobicContact CG2-CD1 4.2Å; L340-Y348 HydrophobicContact CD2-CE2 4.39Å; L340-V379 HydrophobicContact CB-CG1 4.47Å
341S92.8Very high94.8Very high33 Ų3350.2 Ų50.223%0.23126%0.26CS..  trans-144.5123168155.40000107.9E343 S344 K345S341-E343 VanDerWaalsContact C-N 3.33Å; S341-E343 PolarHBondContact OG-OE2 3.07Å; S341-S344 PolarHBondContact O-N 3.29Å; S341-S344 WeakPolarHBondContact OG-CB 3.24Å; S341-S344 PolarHBondContact OG-N 2.79Å; S341-S344 PolarHBondContact OG-OG 2.86Å; S341-K345 PolarHBondContact O-N 3.31Å
342F92.8Very high95Very high31 Ų3149.4 Ų49.414%0.13626%0.255CS..THydrogen-bonded Turntrans-67.1-36.9179.7176.1-101.4000111.3E284 S344 K345 K346 V379 D381E284-F342 HydrophobicContact CB-CB 4.45Å; E284-F342 WeakPolarHBondContact OE2-CB 3.23Å; E284-F342 PolarHBondContact OE2-N 2.87Å; F342-S344 VanDerWaalsContact C-N 3.27Å; F342-S344 PolarHBondContact O-N 2.91Å; F342-K345 CarbonylContact O-C 3.57Å; F342-K345 PolarHBondContact O-N 3.47Å; F342-K346 HydrophobicContact CD1-CG 4.48Å; F342-K346 HydrophobicContact CD2-CB 4.13Å; F342-K346 HydrophobicContact CD2-CD 4.38Å; F342-K346 HydrophobicContact CD2-CG 3.83Å; F342-K346 HydrophobicContact CE1-CD 4.01Å; F342-K346 HydrophobicContact CE1-CG 4.34Å; F342-K346 HydrophobicContact CE2-CB 3.93Å; F342-K346 HydrophobicContact CE2-CD 3.76Å; F342-K346 HydrophobicContact CE2-CG 3.65Å; F342-K346 HydrophobicContact CG-CG 4.25Å; F342-K346 HydrophobicContact CZ-CD 3.56Å; F342-K346 HydrophobicContact CZ-CG 3.94Å; F342-K346 VanDerWaalsContact CZ-NZ 3.33Å; F342-K346 WeakPolarHBondContact O-CG 3.36Å; F342-V379 HydrophobicContact CB-CG1 4.14Å; F342-V379 HydrophobicContact CD2-CB 4.36Å; F342-V379 HydrophobicContact CD2-CG1 4.39Å; F342-V379 VanDerWaalsContact CD2-O 3.26Å; F342-V379 WeakPolarHBondContact CD2-O 3.28Å; F342-V379 WeakPolarHBondContact CE2-O 3.49Å; F342-D381 HydrophobicContact CD1-CB 3.61Å; F342-D381 VanDerWaalsContact CD1-CG 3.49Å; F342-D381 WeakPolarHBondContact CD1-OD2 3.41Å; F342-D381 HydrophobicContact CD2-CB 3.99Å; F342-D381 HydrophobicContact CE1-CB 3.61Å; F342-D381 WeakPolarHBondContact CE1-OD2 3.23Å; F342-D381 HydrophobicContact CE2-CB 4Å; F342-D381 HydrophobicContact CG-CB 3.79Å; F342-D381 HydrophobicContact CZ-CB 3.8Å
343E89.8Confident95Very high67 Ų6751.3 Ų51.331%0.31326%0.264SS..THydrogen-bonded Turntrans-65.5-36.9-178.9-57.256.8-100.200109.5S341 P415S341-E343 VanDerWaalsContact C-N 3.33Å; S341-E343 PolarHBondContact OG-OE2 3.07Å; E343-P415 HydrophobicContact CG-CB 3.99Å; E343-P415 WeakPolarHBondContact CG-O 3.44Å
344S90.7Very high94.9Very high101 Ų10150.1 Ų50.171%0.70626%0.258SS*.THydrogen-bonded Turntrans-74-52.2176.9-61.40000111.3S341 F342S341-S344 PolarHBondContact O-N 3.29Å; S341-S344 WeakPolarHBondContact OG-CB 3.24Å; S341-S344 PolarHBondContact OG-N 2.79Å; S341-S344 PolarHBondContact OG-OG 2.86Å; F342-S344 VanDerWaalsContact C-N 3.27Å; F342-S344 PolarHBondContact O-N 2.91Å
345K93.5Very high94.6Very high67 Ų6751.1 Ų51.129%0.29127%0.266SS..  trans-157.6115.8-177.3-172.1167.6173.2-176.70112.6D316 S341 F342 S347 Y348D316-K345 PolarHBondContact O-NZ 2.88Å; D316-K345 IonicContact OD1-NZ 2.83Å; D316-K345 VanDerWaalsContact OD2-CE 3.29Å; D316-K345 WeakPolarHBondContact OD2-CE 3.44Å; D316-K345 IonicContact OD2-NZ 2.65Å; D316-K345 PolarHBondContact OD2-NZ 2.85Å; S341-K345 PolarHBondContact O-N 3.31Å; F342-K345 CarbonylContact O-C 3.57Å; F342-K345 PolarHBondContact O-N 3.47Å; K345-S347 WeakPolarHBondContact CE-O 3.47Å; K345-Y348 HydrophobicContact CB-CE2 4.43Å; K345-Y348 HydrophobicContact CD-CD1 4.12Å; K345-Y348 HydrophobicContact CD-CE1 3.61Å; K345-Y348 HydrophobicContact CD-CE2 4.44Å; K345-Y348 HydrophobicContact CG-CE1 4.32Å; K345-Y348 HydrophobicContact CG-CE2 4.28Å
346K93.4Very high94.3Very high116 Ų11650.2 Ų50.250%0.50426%0.26SS..SBendtrans-78.8-18.8-172.8-57.7-172.5178.1-145.30115.6F342 V379F342-K346 HydrophobicContact CD1-CG 4.48Å; F342-K346 HydrophobicContact CD2-CB 4.13Å; F342-K346 HydrophobicContact CD2-CD 4.38Å; F342-K346 HydrophobicContact CD2-CG 3.83Å; F342-K346 HydrophobicContact CE1-CD 4.01Å; F342-K346 HydrophobicContact CE1-CG 4.34Å; F342-K346 HydrophobicContact CE2-CB 3.93Å; F342-K346 HydrophobicContact CE2-CD 3.76Å; F342-K346 HydrophobicContact CE2-CG 3.65Å; F342-K346 HydrophobicContact CG-CG 4.25Å; F342-K346 HydrophobicContact CZ-CD 3.56Å; F342-K346 HydrophobicContact CZ-CG 3.94Å; F342-K346 VanDerWaalsContact CZ-NZ 3.33Å; F342-K346 WeakPolarHBondContact O-CG 3.36Å; K346-V379 PolarHBondContact O-N 2.68Å
347S95.8Very high93.6Very high47 Ų4752.9 Ų52.933%0.32928%0.279SS..EExtended strand (participates in β ladder)trans-156.4152.8179.663.90000113.1K345 I377K345-S347 WeakPolarHBondContact CE-O 3.47Å; S347-I377 CarbonylContact C-O 3.57Å; S347-I377 VanDerWaalsContact CA-O 3.24Å; S347-I377 WeakPolarHBondContact CA-O 3.09Å; S347-I377 WeakPolarHBondContact CB-O 3.2Å
348Y96.6Very high92.9Very high21 Ų2149.9 Ų49.98%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-128150.7179-64.7-94.2000110.1D316 V320 F321 L340 K345 H376 I377 V379D316-Y348 WeakPolarHBondContact O-CD1 3.42Å; D316-Y348 WeakPolarHBondContact OD1-CA 3.29Å; V320-Y348 HydrophobicContact CB-CE1 4.3Å; V320-Y348 HydrophobicContact CG1-CE1 4.46Å; V320-Y348 HydrophobicContact CG2-CE1 3.88Å; F321-Y348 HydrophobicContact CE2-CD1 4.14Å; F321-Y348 AromaticContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CE2 4.31Å; F321-Y348 AromaticContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CZ-CD2 4.08Å; F321-Y348 HydrophobicContact CZ-CG 4.42Å; L340-Y348 HydrophobicContact CD2-CE2 4.39Å; K345-Y348 HydrophobicContact CB-CE2 4.43Å; K345-Y348 HydrophobicContact CD-CD1 4.12Å; K345-Y348 HydrophobicContact CD-CE1 3.61Å; K345-Y348 HydrophobicContact CD-CE2 4.44Å; K345-Y348 HydrophobicContact CG-CE1 4.32Å; K345-Y348 HydrophobicContact CG-CE2 4.28Å; Y348-H376 WeakPolarHBondContact O-CA 3.47Å; Y348-H376 PolarHBondContact O-ND1 3.1Å; Y348-I377 PolarHBondContact N-O 2.91Å; Y348-I377 PolarHBondContact O-N 3.41Å; Y348-V379 HydrophobicContact CD2-CG2 4.01Å; Y348-V379 HydrophobicContact CE2-CG2 3.85Å
349T96.8Very high91.9Very high63 Ų6350.2 Ų50.239%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-125.7117174.8-55.70000108.7G315 D316 V375 H376G315-T349 CarbonylContact C-O 3.51Å; G315-T349 WeakPolarHBondContact CA-O 3.47Å; D316-T349 PolarHBondContact N-O 3.5Å; D316-T349 VanDerWaalsContact N-O 3.11Å; D316-T349 PolarHBondContact OD1-N 3.01Å; D316-T349 VanDerWaalsContact OD1-O 3.1Å; T349-V375 WeakPolarHBondContact CA-O 3.25Å; T349-H376 PolarHBondContact OG1-ND1 3.03Å
350L96.8Very high90.9Very high1 Ų148 Ų481%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-109.1142.7177.8-57.9178.2000109.9L312 F321 I334 T374 V375 I377L312-L350 HydrophobicContact CD1-CD1 4.4Å; L312-L350 HydrophobicContact CD2-CB 4.35Å; L312-L350 HydrophobicContact CD2-CD1 4.19Å; F321-L350 HydrophobicContact CB-CD1 3.85Å; F321-L350 HydrophobicContact CD2-CD1 3.97Å; F321-L350 HydrophobicContact CD2-CD2 4.29Å; F321-L350 HydrophobicContact CD2-CG 4.48Å; F321-L350 HydrophobicContact CG-CD1 4.01Å; I334-L350 HydrophobicContact CG2-CD1 4.26Å; L350-T374 CarbonylContact O-C 3.59Å; L350-T374 WeakPolarHBondContact O-CA 3.4Å; L350-V375 HydrophobicContact CB-CB 4.43Å; L350-V375 PolarHBondContact N-O 3.19Å; L350-V375 PolarHBondContact O-N 3.17Å; L350-I377 HydrophobicContact CD1-CD1 3.54Å; L350-I377 HydrophobicContact CG-CD1 4.26Å
351K96.7Very high90.1Very high76 Ų7654.9 Ų54.933%0.3329%0.29SS..EExtended strand (participates in β ladder)trans-105113167.4-167.9177.7180-177.10108.5V313 D314 T372 T373V313-K351 HydrophobicContact CG2-CB 4.11Å; V313-K351 HydrophobicContact CG2-CD 4.06Å; V313-K351 HydrophobicContact CG2-CG 3.87Å; V313-K351 WeakPolarHBondContact CG2-O 3.21Å; V313-K351 PolarHBondContact N-O 3.11Å; D314-K351 HydrophobicContact CB-CB 3.84Å; D314-K351 HydrophobicContact CB-CD 4.02Å; D314-K351 WeakPolarHBondContact O-CB 3.33Å; D314-K351 PolarHBondContact O-N 2.97Å; K351-T372 WeakPolarHBondContact CE-OG1 3.49Å; K351-T373 WeakPolarHBondContact CA-O 3.32Å
352V96.8Very high89.3Confident0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-97.8131.2179.4-176.10000109F273 V295 Y310 S311 L312 I323 I334 T372 T373 V375F273-V352 HydrophobicContact CZ-CG1 4.34Å; V295-V352 HydrophobicContact CG2-CG1 3.99Å; Y310-V352 HydrophobicContact CD1-CG1 4.17Å; S311-V352 WeakPolarHBondContact O-CA 3.5Å; L312-V352 HydrophobicContact CD2-CG2 3.8Å; I323-V352 HydrophobicContact CD1-CG1 3.54Å; I323-V352 HydrophobicContact CD1-CG2 4.27Å; I334-V352 HydrophobicContact CD1-CG2 4.23Å; V352-T372 CarbonylContact O-C 3.58Å; V352-T372 WeakPolarHBondContact O-CA 3.48Å; V352-T373 HydrophobicContact CB-CG2 4.15Å; V352-T373 PolarHBondContact N-O 3.35Å; V352-T373 PolarHBondContact O-N 3.17Å; V352-V375 HydrophobicContact CG2-CG2 3.59Å
353E95.3Very high88.5Confident39 Ų3961.8 Ų61.818%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-106.1132170.4-175.1174.586.200109.3Y310 S311 V313 R370 D371 T372Y310-E353 CarbonylContact C-O 3.56Å; Y310-E353 VanDerWaalsContact CA-O 3.28Å; Y310-E353 WeakPolarHBondContact CA-O 3.35Å; S311-E353 PolarHBondContact N-O 3.25Å; S311-E353 PolarHBondContact O-N 3.42Å; V313-E353 HydrophobicContact CB-CB 4.46Å; V313-E353 HydrophobicContact CG1-CB 3.52Å; V313-E353 HydrophobicContact CG1-CG 4.36Å; V313-E353 HydrophobicContact CG2-CB 4.06Å; E353-R370 HydrophobicContact CG-CB 4.24Å; E353-R370 WeakPolarHBondContact OE2-CD 3.47Å; E353-D371 WeakPolarHBondContact CA-O 3.48Å; E353-T372 HydrophobicContact CB-CG2 3.97Å; E353-T372 HydrophobicContact CG-CG2 4Å
354G94.3Very high87.9Confident0 Ų062.6 Ų62.60%032%0.317CS..EExtended strand (participates in β ladder)trans-112.3126.7165.700000108.4R370 D371G354-R370 CarbonylContact O-C 3.53Å; G354-R370 WeakPolarHBondContact O-CA 3.23Å; G354-D371 PolarHBondContact N-O 3.04Å; G354-D371 PolarHBondContact O-N 3.27Å
355A91.9Very high87.3Confident21 Ų2164 Ų6417%0.17432%0.317CS..EExtended strand (participates in β ladder)trans-137.2144-176.600000111.2M308 K309 F369 R370M308-A355 CarbonylContact C-O 3.54Å; M308-A355 WeakPolarHBondContact CA-O 3.39Å; K309-A355 PolarHBondContact N-O 3.05Å; K309-A355 PolarHBondContact O-N 3.03Å; A355-F369 WeakPolarHBondContact CA-O 3.44Å; A355-R370 HydrophobicContact CB-CB 3.7Å
356N90.3Very high86.5Confident10 Ų1064.8 Ų64.85%0.05332%0.324CS..EExtended strand (participates in β ladder)trans-66.7142.3174.4-53.796.2000110.7P271 D299 N305 E307 L359 F369P271-N356 WeakPolarHBondContact CD-OD1 3.45Å; D299-N356 PolarHBondContact OD2-ND2 3.27Å; N305-N356 PolarHBondContact O-ND2 2.66Å; E307-N356 CarbonylContact O-C 3.58Å; E307-N356 WeakPolarHBondContact O-CA 3.37Å; N356-L359 HydrophobicContact CB-CD2 4.46Å; N356-F369 PolarHBondContact N-O 3.42Å; N356-F369 VanDerWaalsContact N-O 3.12Å; N356-F369 PolarHBondContact OD1-O 3.44Å
357S82.3Confident85.4Confident57 Ų5760 Ų6040%0.39931%0.308SS..SBendtrans-71.6-34.1174.347.70000111.9E307E307-S357 WeakPolarHBondContact CB-OG 3.15Å; E307-S357 PolarHBondContact O-N 3.05Å; E307-S357 PolarHBondContact O-OG 3.42Å; E307-S357 PolarHBondContact OE2-OG 2.81Å
358H79.8Confident84.5Confident82 Ų8261.3 Ų61.338%0.3832%0.315SS..  trans-112.2102-171.9-68.3-78.1000112.2N267 I304 E307N267-H358 PolarHBondContact ND2-O 2.82Å; I304-H358 WeakPolarHBondContact CG1-CD2 3.5Å; I304-H358 WeakPolarHBondContact CG1-NE2 3.29Å; E307-H358 IonicContact OE2-CD2 3.73Å; E307-H358 PolarHBondContact OE2-CD2 3.39Å; E307-H358 IonicContact OE2-NE2 3.73Å; E307-H358 PolarHBondContact OE2-NE2 2.89Å
359L75.6Confident84Confident97 Ų9760.8 Ų60.851%0.50831%0.313SS..  trans-101.2124.1179.6-61.6174.9000111.5N356 F369N356-L359 HydrophobicContact CB-CD2 4.46Å; L359-F369 HydrophobicContact CD2-CB 3.16Å; L359-F369 HydrophobicContact CD2-CD1 4.42Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CG 3.53Å
360E73.5Confident83.6Confident63 Ų6364.7 Ų64.729%0.29432%0.321SS..  trans-90124168.3-82.4-155.5-160.100111.5R362 F363E360-R362 PolarHBondContact O-N 2.96Å; E360-R362 IonicContact OE1-NH2 2.78Å; E360-R362 IonicContact OE2-CZ 3.37Å; E360-R362 IonicContact OE2-NE 3.86Å; E360-R362 PolarHBondContact OE2-NE 3.45Å; E360-R362 IonicContact OE2-NH2 3.9Å; E360-R362 PolarHBondContact OE2-NH2 2.83Å; E360-F363 HydrophobicContact CB-CD2 3.75Å; E360-F363 HydrophobicContact CB-CE2 4.31Å; E360-F363 PolarHBondContact O-N 3.25Å; E360-F363 VanDerWaalsContact O-N 3.11Å; E360-F363 WeakPolarHBondContact OE2-CE2 3.36Å
361M76.2Confident83.5Confident160 Ų16066.3 Ų66.379%0.78833%0.33SS*.THydrogen-bonded Turntrans-57.1-24.8-178.4-71.6-74.3-69.900114F363 L364M361-F363 VanDerWaalsContact C-N 3.32Å; M361-L364 HydrophobicContact CB-CD1 4.45Å; M361-L364 HydrophobicContact CE-CD1 4.24Å; M361-L364 HydrophobicContact SD-CD1 3.55Å; M361-L364 VanDerWaalsContact SD-CD1 3.55Å
362R77.3Confident83.4Confident183 Ų18365.2 Ų65.269%0.69133%0.329SS*.THydrogen-bonded Turntrans-71.9-25.9-178.1-66.5-175.4-68.5-151.3-0.3113.1E360 N365E360-R362 PolarHBondContact O-N 2.96Å; E360-R362 IonicContact OE1-NH2 2.78Å; E360-R362 IonicContact OE2-CZ 3.37Å; E360-R362 IonicContact OE2-NE 3.86Å; E360-R362 PolarHBondContact OE2-NE 3.45Å; E360-R362 IonicContact OE2-NH2 3.9Å; E360-R362 PolarHBondContact OE2-NH2 2.83Å; R362-N365 PolarHBondContact O-OD1 2.8Å
363F76.2Confident83.4Confident26 Ų2665.3 Ų65.311%0.11433%0.33CS..THydrogen-bonded Turntrans-108.13.6-172.8-56.7-70.1000113.3M176 V266 N267 E360 M361 N365 L366 F369M176-F363 HydrophobicContact CB-CE1 4.43Å; M176-F363 HydrophobicContact SD-CE1 4.17Å; V266-F363 HydrophobicContact CB-CE2 4.49Å; V266-F363 HydrophobicContact CG1-CD2 3.57Å; V266-F363 HydrophobicContact CG1-CE1 4.06Å; V266-F363 HydrophobicContact CG1-CE2 3.02Å; V266-F363 HydrophobicContact CG1-CG 4.32Å; V266-F363 HydrophobicContact CG1-CZ 3.32Å; N267-F363 WeakPolarHBondContact O-CB 3.47Å; E360-F363 HydrophobicContact CB-CD2 3.75Å; E360-F363 HydrophobicContact CB-CE2 4.31Å; E360-F363 PolarHBondContact O-N 3.25Å; E360-F363 VanDerWaalsContact O-N 3.11Å; E360-F363 WeakPolarHBondContact OE2-CE2 3.36Å; M361-F363 VanDerWaalsContact C-N 3.32Å; F363-N365 PolarHBondContact O-N 2.64Å; F363-N365 PolarHBondContact O-OD1 3.13Å; F363-L366 HydrophobicContact CB-CD1 4.12Å; F363-L366 HydrophobicContact CD1-CD1 3.74Å; F363-L366 HydrophobicContact CG-CD1 4.36Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 2.62Å; F363-F369 HydrophobicContact CB-CE2 4.27Å; F363-F369 HydrophobicContact CB-CZ 3.8Å; F363-F369 VanDerWaalsContact O-CE2 3.23Å; F363-F369 WeakPolarHBondContact O-CE2 3.25Å; F363-F369 WeakPolarHBondContact O-CZ 3.27Å
364L76.6Confident83.4Confident84 Ų8465.5 Ų65.544%0.4433%0.334SS..THydrogen-bonded Turntrans-55.8-19.9176.8-71.1175.4000114.5M361 F369M361-L364 HydrophobicContact CB-CD1 4.45Å; M361-L364 HydrophobicContact CE-CD1 4.24Å; M361-L364 HydrophobicContact SD-CD1 3.55Å; M361-L364 VanDerWaalsContact SD-CD1 3.55Å; L364-F369 HydrophobicContact CD2-CD2 4.44Å
365N78.7Confident83.6Confident132 Ų13265.5 Ų65.571%0.70633%0.334SS*.THydrogen-bonded Turntrans-78.9-18.5175.162.7-23.4000113.7R362 F363 G367R362-N365 PolarHBondContact O-OD1 2.8Å; F363-N365 PolarHBondContact O-N 2.64Å; F363-N365 PolarHBondContact O-OD1 3.13Å; N365-G367 VanDerWaalsContact C-N 3.33Å
366L75.3Confident83.8Confident82 Ų8267.9 Ų67.943%0.42934%0.341SS..THydrogen-bonded Turntrans-78.6-18.6-179.4-64-179.1000112.7M176 D268 F363M176-L366 HydrophobicContact CE-CD1 4.5Å; M176-L366 HydrophobicContact SD-CD1 4.22Å; D268-L366 HydrophobicContact CB-CD1 3.73Å; F363-L366 HydrophobicContact CB-CD1 4.12Å; F363-L366 HydrophobicContact CD1-CD1 3.74Å; F363-L366 HydrophobicContact CG-CD1 4.36Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 2.62Å
367G70.8Confident84.2Confident17 Ų1767.4 Ų67.418%0.17534%0.339CS..  trans161.7176.9166.100000113.6N365 F369N365-G367 VanDerWaalsContact C-N 3.33Å; G367-F369 PolarHBondContact O-N 3.45Å
368P77.4Confident84.8Confident74 Ų7466.9 Ų66.948%0.48134%0.335SS..  trans-67114.9159.729.8-29.5000107.4P270 R370P270-P368 VanDerWaalsContact CB-O 3.24Å; P270-P368 WeakPolarHBondContact CB-O 3.37Å; P368-R370 HydrophobicContact CB-CG 3.85Å; P368-R370 PolarHBondContact O-N 3.12Å
369F85.5Confident85.6Confident10 Ų1063.2 Ų63.24%0.04432%0.318CS..SBendtrans-71.244.3168.3-69.3-81.1000111.7N267 P270 A355 N356 L359 F363 L364 G367N267-F369 VanDerWaalsContact O-CE1 3.26Å; N267-F369 WeakPolarHBondContact O-CE1 3.48Å; N267-F369 VanDerWaalsContact O-CZ 3.25Å; N267-F369 WeakPolarHBondContact O-CZ 3.47Å; N267-F369 WeakPolarHBondContact OD1-CD1 3.09Å; N267-F369 WeakPolarHBondContact OD1-CE1 3.34Å; P270-F369 HydrophobicContact CB-CD1 4.3Å; A355-F369 WeakPolarHBondContact CA-O 3.44Å; N356-F369 PolarHBondContact N-O 3.42Å; N356-F369 VanDerWaalsContact N-O 3.12Å; N356-F369 PolarHBondContact OD1-O 3.44Å; L359-F369 HydrophobicContact CD2-CB 3.16Å; L359-F369 HydrophobicContact CD2-CD1 4.42Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CG 3.53Å; F363-F369 HydrophobicContact CB-CE2 4.27Å; F363-F369 HydrophobicContact CB-CZ 3.8Å; F363-F369 VanDerWaalsContact O-CE2 3.23Å; F363-F369 WeakPolarHBondContact O-CE2 3.25Å; F363-F369 WeakPolarHBondContact O-CZ 3.27Å; L364-F369 HydrophobicContact CD2-CD2 4.44Å; G367-F369 PolarHBondContact O-N 3.45Å
370R89.6Confident86.5Confident144 Ų14462.7 Ų62.754%0.54331%0.313SS..EExtended strand (participates in β ladder)trans-158.1141.8179.657.7177.8166.6-171.2-5.8108.3E353 G354 A355 P368E353-R370 HydrophobicContact CG-CB 4.24Å; E353-R370 WeakPolarHBondContact OE2-CD 3.47Å; G354-R370 CarbonylContact O-C 3.53Å; G354-R370 WeakPolarHBondContact O-CA 3.23Å; A355-R370 HydrophobicContact CB-CB 3.7Å; P368-R370 HydrophobicContact CB-CG 3.85Å; P368-R370 PolarHBondContact O-N 3.12Å
371D93.4Very high87.4Confident36 Ų3663.6 Ų63.619%0.19332%0.32CS..EExtended strand (participates in β ladder)trans-133.7157.4172.7-168.825.4000109.4P271 F273 E353 G354P271-D371 WeakPolarHBondContact O-CB 3.32Å; F273-D371 HydrophobicContact CD2-CB 4.08Å; F273-D371 WeakPolarHBondContact CE2-O 3.35Å; F273-D371 PolarHBondContact N-OD2 3.44Å; E353-D371 WeakPolarHBondContact CA-O 3.48Å; G354-D371 PolarHBondContact N-O 3.04Å; G354-D371 PolarHBondContact O-N 3.27Å
372T94.9Very high88.1Confident53 Ų5358.1 Ų58.133%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-127.9135.7-178.964.60000110.8K351 V352 E353K351-T372 WeakPolarHBondContact CE-OG1 3.49Å; V352-T372 CarbonylContact O-C 3.58Å; V352-T372 WeakPolarHBondContact O-CA 3.48Å; E353-T372 HydrophobicContact CB-CG2 3.97Å; E353-T372 HydrophobicContact CG-CG2 4Å
373T96.1Very high88.5Confident1 Ų152.2 Ų52.21%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-122.2160.1172.2-166.80000110.3F273 Q275 K276 Y278 K351 V352 V375F273-T373 HydrophobicContact CB-CG2 4.44Å; F273-T373 HydrophobicContact CD1-CG2 3.6Å; F273-T373 HydrophobicContact CD2-CG2 3.98Å; F273-T373 HydrophobicContact CE1-CG2 3.69Å; F273-T373 HydrophobicContact CE2-CG2 4.06Å; F273-T373 HydrophobicContact CG-CG2 3.74Å; F273-T373 HydrophobicContact CZ-CG2 3.92Å; Q275-T373 PolarHBondContact O-OG1 2.8Å; K276-T373 PolarHBondContact O-OG1 3.39Å; K276-T373 VanDerWaalsContact O-OG1 3.11Å; Y278-T373 HydrophobicContact CD2-CG2 3.88Å; Y278-T373 WeakPolarHBondContact CD2-OG1 3.26Å; Y278-T373 HydrophobicContact CE2-CG2 3.84Å; K351-T373 WeakPolarHBondContact CA-O 3.32Å; V352-T373 HydrophobicContact CB-CG2 4.15Å; V352-T373 PolarHBondContact N-O 3.35Å; V352-T373 PolarHBondContact O-N 3.17Å; T373-V375 HydrophobicContact CG2-CG2 4.49Å
374T96.8Very high89.1Confident43 Ų4354.6 Ų54.626%0.26429%0.289SS..EExtended strand (participates in β ladder)trans-108.6133.1176.253.80000109.8K276 H277 Y278 L350K276-T374 PolarHBondContact O-N 2.66Å; K276-T374 PolarHBondContact O-OG1 3.14Å; H277-T374 CarbonylContact C-O 3.57Å; H277-T374 VanDerWaalsContact CA-O 3.26Å; H277-T374 WeakPolarHBondContact CA-O 3.37Å; H277-T374 PolarHBondContact CE1-OG1 3.41Å; H277-T374 PolarHBondContact ND1-OG1 2.96Å; Y278-T374 PolarHBondContact N-O 3.27Å; L350-T374 CarbonylContact O-C 3.59Å; L350-T374 WeakPolarHBondContact O-CA 3.4Å
375V97.5Very high89.7Confident0 Ų052.7 Ų52.70%028%0.282CS..EExtended strand (participates in β ladder)trans-115.6117.9-179.9-173.90000107.6Y278 M280 V295 I334 T349 L350 V352 T373 I377Y278-V375 WeakPolarHBondContact O-CA 3Å; M280-V375 HydrophobicContact CE-CG1 3.9Å; M280-V375 HydrophobicContact CG-CG1 4.03Å; M280-V375 HydrophobicContact SD-CG1 3.63Å; V295-V375 HydrophobicContact CG1-CG2 3.84Å; I334-V375 HydrophobicContact CD1-CB 4.39Å; I334-V375 HydrophobicContact CD1-CG1 4.03Å; I334-V375 HydrophobicContact CD1-CG2 4.09Å; T349-V375 WeakPolarHBondContact CA-O 3.25Å; L350-V375 HydrophobicContact CB-CB 4.43Å; L350-V375 PolarHBondContact N-O 3.19Å; L350-V375 PolarHBondContact O-N 3.17Å; V352-V375 HydrophobicContact CG2-CG2 3.59Å; T373-V375 HydrophobicContact CG2-CG2 4.49Å; V375-I377 HydrophobicContact CG1-CG1 4.03Å
376H96.9Very high90.3Very high72 Ų7246.5 Ų46.533%0.33325%0.249SC..EExtended strand (participates in β ladder)trans-95.6119.6172.3-169.162.6000108.9Y278 Q279 M280 Y348 T349Y278-H376 PolarHBondContact O-N 3.02Å; Q279-H376 WeakPolarHBondContact CA-O 3.27Å; Q279-H376 HydrophobicContact CG-CB 4.49Å; M280-H376 PolarHBondContact N-O 3.4Å; Y348-H376 WeakPolarHBondContact O-CA 3.47Å; Y348-H376 PolarHBondContact O-ND1 3.1Å; T349-H376 PolarHBondContact OG1-ND1 3.03Å
377I97.2Very high91.1Very high0 Ų046.2 Ų46.20%025%0.25CS..EExtended strand (participates in β ladder)trans-108.3114.5179.6-56.6175.6000107.4M280 V282 V292 F321 I334 S347 Y348 L350 V375M280-I377 CarbonylContact O-C 3.36Å; M280-I377 WeakPolarHBondContact O-CA 3.45Å; V282-I377 HydrophobicContact CG1-CG2 3.62Å; V292-I377 HydrophobicContact CG1-CD1 4.05Å; V292-I377 HydrophobicContact CG1-CG1 4.26Å; V292-I377 HydrophobicContact CG1-CG2 3.86Å; F321-I377 HydrophobicContact CD1-CD1 4.04Å; F321-I377 HydrophobicContact CD2-CD1 4.1Å; F321-I377 HydrophobicContact CE1-CD1 3.94Å; F321-I377 HydrophobicContact CE1-CG2 4.32Å; F321-I377 HydrophobicContact CE2-CD1 4Å; F321-I377 HydrophobicContact CG-CD1 4.12Å; F321-I377 HydrophobicContact CZ-CB 4.45Å; F321-I377 HydrophobicContact CZ-CD1 3.92Å; F321-I377 HydrophobicContact CZ-CG2 3.94Å; I334-I377 HydrophobicContact CG2-CD1 4.23Å; S347-I377 CarbonylContact C-O 3.57Å; S347-I377 VanDerWaalsContact CA-O 3.24Å; S347-I377 WeakPolarHBondContact CA-O 3.09Å; S347-I377 WeakPolarHBondContact CB-O 3.2Å; Y348-I377 PolarHBondContact N-O 2.91Å; Y348-I377 PolarHBondContact O-N 3.41Å; L350-I377 HydrophobicContact CD1-CD1 3.54Å; L350-I377 HydrophobicContact CG-CD1 4.26Å; V375-I377 HydrophobicContact CG1-CG1 4.03Å
378S96.5Very high92.1Very high45 Ų4546 Ų4632%0.31525%0.245SC..EExtended strand (participates in β ladder)trans-89126.7169.954.50000109.8M280 S281 V282M280-S378 PolarHBondContact O-N 2.73Å; M280-S378 PolarHBondContact O-OG 3.45Å; S281-S378 VanDerWaalsContact CA-O 3.24Å; S281-S378 WeakPolarHBondContact CA-O 3.4Å; S281-S378 WeakPolarHBondContact CB-OG 3.38Å; V282-S378 PolarHBondContact N-O 3.38Å; V282-S378 VanDerWaalsContact N-O 3.08Å
379V96.6Very high92.6Very high5 Ų550.2 Ų50.23%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-79.8126.4169.8-175.30000107.3V282 E284 L340 F342 K346 Y348V282-V379 CarbonylContact O-C 3.59Å; V282-V379 WeakPolarHBondContact O-CA 3.35Å; E284-V379 HydrophobicContact CB-CG1 3.67Å; L340-V379 HydrophobicContact CB-CG1 4.47Å; F342-V379 HydrophobicContact CB-CG1 4.14Å; F342-V379 HydrophobicContact CD2-CB 4.36Å; F342-V379 HydrophobicContact CD2-CG1 4.39Å; F342-V379 VanDerWaalsContact CD2-O 3.26Å; F342-V379 WeakPolarHBondContact CD2-O 3.28Å; F342-V379 WeakPolarHBondContact CE2-O 3.49Å; K346-V379 PolarHBondContact O-N 2.68Å; Y348-V379 HydrophobicContact CD2-CG2 4.01Å; Y348-V379 HydrophobicContact CE2-CG2 3.85Å
380E94.6Very high92.8Very high86 Ų8653.1 Ų53.140%0.40228%0.277SS..EExtended strand (participates in β ladder)trans-93129.3174.8-74.5178.6-16500109.3S281 V282 L283 E284S281-E380 WeakPolarHBondContact CB-OE1 3.25Å; S281-E380 PolarHBondContact OG-OE1 3.02Å; V282-E380 PolarHBondContact O-N 3.05Å; L283-E380 HydrophobicContact CD2-CB 3.9Å; E284-E380 PolarHBondContact N-O 2.84Å
381D92.1Very high92.9Very high82 Ų8250.7 Ų50.744%0.43928%0.283SS..PPolyproline II helixtrans-67.8132-180-172.5-18.1000110.7E284 F342E284-D381 WeakPolarHBondContact OE1-CA 3.32Å; F342-D381 HydrophobicContact CD1-CB 3.61Å; F342-D381 VanDerWaalsContact CD1-CG 3.49Å; F342-D381 WeakPolarHBondContact CD1-OD2 3.41Å; F342-D381 HydrophobicContact CD2-CB 3.99Å; F342-D381 HydrophobicContact CE1-CB 3.61Å; F342-D381 WeakPolarHBondContact CE1-OD2 3.23Å; F342-D381 HydrophobicContact CE2-CB 4Å; F342-D381 HydrophobicContact CG-CB 3.79Å; F342-D381 HydrophobicContact CZ-CB 3.8Å
382V90.1Very high92.9Very high46 Ų4655.4 Ų55.428%0.27930%0.302SS..  trans-132.2116.5177.7179.90000109.3L283 E284 E384L283-V382 HydrophobicContact CB-CG2 4.05Å; L283-V382 HydrophobicContact CD2-CG2 3.84Å; L283-V382 HydrophobicContact CG-CG2 4.41Å; E284-V382 HydrophobicContact CG-CB 4.25Å; E284-V382 PolarHBondContact OE1-N 3.02Å; V382-E384 WeakPolarHBondContact O-CG 3.37Å; V382-E384 PolarHBondContact O-N 2.72Å; V382-E384 VanDerWaalsContact O-N 3.15Å
383D86.6Confident92.9Very high58 Ų5853.9 Ų53.931%0.3129%0.29SS..  trans-44.1113.7178.3-166.266.4000113.8D416 N470 Q473D383-D416 WeakPolarHBondContact CA-OD2 3.47Å; D383-N470 PolarHBondContact OD2-ND2 2.96Å; D383-Q473 PolarHBondContact O-NE2 3.15Å
384E87.4Confident92.8Very high77 Ų7758.6 Ų58.636%0.3631%0.311SS..PPolyproline II helixtrans-102153-178.4-64.9-163.2-6600111.7V382 P415 D416V382-E384 WeakPolarHBondContact O-CG 3.37Å; V382-E384 PolarHBondContact O-N 2.72Å; V382-E384 VanDerWaalsContact O-N 3.15Å; E384-P415 HydrophobicContact CB-CG 4.26Å; E384-D416 PolarHBondContact N-OD2 2.97Å
385P89.4Confident92.7Very high44 Ų4457.2 Ų57.229%0.28630%0.302SS..PPolyproline II helixtrans-72.6152.4176.629.4-34.1000113V387 Q473P385-V387 WeakPolarHBondContact O-CG2 3.18Å; P385-V387 PolarHBondContact O-N 2.82Å; P385-Q473 HydrophobicContact CB-CB 4.06Å
386P91.8Very high92.6Very high2 Ų261.8 Ų61.81%0.01332%0.323CS..PPolyproline II helixtrans-56.4133.7174.7-25.532.7000112.9A412 I422 A465 G475P386-A412 HydrophobicContact CB-CB 4.07Å; P386-I422 HydrophobicContact CB-CD1 4.22Å; P386-I422 HydrophobicContact CB-CG1 4.43Å; P386-I422 HydrophobicContact CB-CG2 4.35Å; P386-I422 HydrophobicContact CG-CG1 4.36Å; P386-I422 HydrophobicContact CG-CG2 4.41Å; P386-A465 HydrophobicContact CB-CB 3.97Å; P386-G475 VanDerWaalsContact O-CA 3.29Å; P386-G475 WeakPolarHBondContact O-CA 3.36Å
387V91.8Very high92.5Very high75 Ų7558.6 Ų58.646%0.45531%0.309SS..EExtended strand (participates in β ladder)trans-106.5135-177.3-177.20000110.7P385 A412 K413 P415P385-V387 WeakPolarHBondContact O-CG2 3.18Å; P385-V387 PolarHBondContact O-N 2.82Å; V387-A412 CarbonylContact O-C 3.47Å; V387-A412 VanDerWaalsContact O-CA 3.25Å; V387-A412 WeakPolarHBondContact O-CA 3.36Å; V387-K413 PolarHBondContact N-O 2.69Å; V387-K413 PolarHBondContact O-N 2.94Å; V387-P415 HydrophobicContact CG2-CG 4.22Å
388F92.5Very high92.4Very high14 Ų1460.9 Ų60.96%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-87.6130.8174.9-66.5-89.8000111.4P390 I410 A412 Y424 A465 V477F388-P390 CarbonylContact C-O 3.58Å; F388-P390 CarbonylContact O-C 3.21Å; F388-I410 HydrophobicContact CD1-CG2 3.65Å; F388-I410 HydrophobicContact CE1-CG2 3.46Å; F388-I410 VanDerWaalsContact CE1-CG2 3.46Å; F388-A412 HydrophobicContact CD1-CB 3.75Å; F388-A412 HydrophobicContact CD2-CB 4.38Å; F388-A412 HydrophobicContact CE1-CB 3.79Å; F388-A412 HydrophobicContact CE2-CB 4.42Å; F388-A412 HydrophobicContact CG-CB 4.08Å; F388-A412 HydrophobicContact CZ-CB 4.17Å; F388-Y424 HydrophobicContact CE1-CD1 4.16Å; F388-Y424 AromaticContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CZ-CD1 4.47Å; F388-Y424 HydrophobicContact CZ-CE1 4.47Å; F388-A465 HydrophobicContact CE1-CB 4.03Å; F388-A465 HydrophobicContact CE2-CB 3.67Å; F388-A465 HydrophobicContact CZ-CB 3.29Å; F388-V477 HydrophobicContact CB-CB 3.99Å; F388-V477 HydrophobicContact CB-CG1 4.41Å; F388-V477 HydrophobicContact CB-CG2 4.18Å; F388-V477 HydrophobicContact CD1-CB 4.07Å; F388-V477 HydrophobicContact CD1-CG1 3.57Å; F388-V477 HydrophobicContact CD2-CB 3.61Å; F388-V477 HydrophobicContact CD2-CG1 3.85Å; F388-V477 HydrophobicContact CE1-CB 4.42Å; F388-V477 HydrophobicContact CE1-CG1 3.59Å; F388-V477 HydrophobicContact CE2-CB 3.99Å; F388-V477 HydrophobicContact CE2-CG1 3.85Å; F388-V477 HydrophobicContact CG-CB 3.63Å; F388-V477 HydrophobicContact CG-CG1 3.69Å; F388-V477 HydrophobicContact CG-CG2 4.32Å; F388-V477 HydrophobicContact CZ-CB 4.36Å; F388-V477 HydrophobicContact CZ-CG1 3.71Å
389E87.5Confident92.2Very high161 Ų16159.2 Ų59.275%0.75231%0.311SS*.SBendtrans-127.6108.3169.6-70.2-171.2157.600108.5
390P90.4Very high92Very high71 Ų7164.2 Ų64.246%0.46134%0.338SS..SBendcis-76.7163.17.931.3-38.3000116.1F388 F392 Y393F388-P390 CarbonylContact C-O 3.58Å; F388-P390 CarbonylContact O-C 3.21Å; P390-F392 VanDerWaalsContact C-N 3.29Å; P390-F392 PolarHBondContact O-N 2.9Å; P390-Y393 WeakPolarHBondContact CD-OH 3.34Å; P390-Y393 HydrophobicContact CG-CD1 4.22Å; P390-Y393 HydrophobicContact CG-CE1 3.77Å; P390-Y393 HydrophobicContact CG-CE2 4.25Å; P390-Y393 WeakPolarHBondContact O-CE2 3.41Å
391S90.5Very high91.9Very high94 Ų9461.5 Ų61.566%0.65733%0.327SS*.SBendtrans-77.6-4.3-178.659.30000115.5V477S391-V477 WeakPolarHBondContact O-CG2 3.46Å
392F93.4Very high92Very high135 Ų13565 Ų6559%0.59234%0.341SS*.EExtended strand (participates in β ladder)trans-153.3150.6170.972.3-85.6000109.8P390P390-F392 VanDerWaalsContact C-N 3.29Å; P390-F392 PolarHBondContact O-N 2.9Å
393Y94.8Very high92.2Very high21 Ų2168 Ų688%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-122.6137.3175.1-66.6-96.3000110.4P390 Q408 I410 S411 V477 S478 V479 T480P390-Y393 WeakPolarHBondContact CD-OH 3.34Å; P390-Y393 HydrophobicContact CG-CD1 4.22Å; P390-Y393 HydrophobicContact CG-CE1 3.77Å; P390-Y393 HydrophobicContact CG-CE2 4.25Å; P390-Y393 WeakPolarHBondContact O-CE2 3.41Å; Y393-Q408 HydrophobicContact CD1-CG 4.11Å; Y393-I410 HydrophobicContact CD2-CG2 4.35Å; Y393-I410 HydrophobicContact CE2-CG2 3.75Å; Y393-S411 PolarHBondContact OH-N 3.13Å; Y393-V477 HydrophobicContact CD2-CG1 4.37Å; Y393-V477 HydrophobicContact CD2-CG2 3.8Å; Y393-V477 HydrophobicContact CE2-CG1 4.33Å; Y393-V477 HydrophobicContact CE2-CG2 3.98Å; Y393-S478 PolarHBondContact N-O 3.44Å; Y393-S478 VanDerWaalsContact N-O 3.13Å; Y393-V479 HydrophobicContact CD2-CG2 4.37Å; Y393-V479 WeakPolarHBondContact O-CA 3.18Å; Y393-T480 PolarHBondContact O-N 3.22Å
394F95.3Very high92.4Very high100 Ų10067 Ų6744%0.43936%0.358SS..EExtended strand (participates in β ladder)trans-125.1127.5174.5176.6-101.5000109E396 W458 T480 K482F394-E396 HydrophobicContact CE1-CG 3.61Å; F394-E396 HydrophobicContact CZ-CG 3.75Å; F394-W458 HydrophobicContact CE2-CH2 4.17Å; F394-W458 AromaticContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CZ-CZ3 4.4Å; F394-T480 WeakPolarHBondContact CA-O 3.39Å; F394-T480 HydrophobicContact CD2-CG2 4.05Å; F394-T480 HydrophobicContact CE2-CG2 4.25Å; F394-K482 HydrophobicContact CE2-CB 4Å; F394-K482 HydrophobicContact CZ-CB 4.01Å; F394-K482 HydrophobicContact CZ-CD 3.98Å
395V94.9Very high92.6Very high13 Ų1365.6 Ų65.68%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-137.6136.3-172.6-1670000109.9V397 I407 Q408 V479 T480 V481 K482V395-V397 HydrophobicContact CG1-CG2 4.03Å; V395-I407 HydrophobicContact CB-CG2 4.48Å; V395-I407 HydrophobicContact CG1-CB 4.44Å; V395-I407 HydrophobicContact CG1-CG2 3.3Å; V395-Q408 HydrophobicContact CG1-CB 4.45Å; V395-Q408 HydrophobicContact CG2-CB 3.8Å; V395-Q408 HydrophobicContact CG2-CG 3.97Å; V395-V479 HydrophobicContact CG2-CG1 4.37Å; V395-T480 PolarHBondContact N-O 2.71Å; V395-V481 CarbonylContact O-C 3.59Å; V395-V481 WeakPolarHBondContact O-CA 3.26Å; V395-K482 PolarHBondContact O-N 3.31Å
396E94.9Very high92.8Very high96 Ų9667.3 Ų67.345%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-110.1130.5175.5-58.9-167.9137.600109.6F394 K482 L484F394-E396 HydrophobicContact CE1-CG 3.61Å; F394-E396 HydrophobicContact CZ-CG 3.75Å; E396-K482 WeakPolarHBondContact CA-O 3.36Å; E396-K482 HydrophobicContact CG-CB 4.32Å; E396-K482 HydrophobicContact CG-CD 4.22Å; E396-K482 WeakPolarHBondContact OE1-CD 3.47Å; E396-K482 IonicContact OE1-NZ 2.75Å; E396-K482 PolarHBondContact OE1-NZ 3.04Å; E396-L484 HydrophobicContact CB-CD1 4.04Å; E396-L484 HydrophobicContact CB-CD2 4.13Å; E396-L484 HydrophobicContact CB-CG 4.09Å
397V95.1Very high92.9Very high5 Ų568.8 Ų68.83%0.0337%0.371CS..EExtended strand (participates in β ladder)trans-139.4127.7-172.6-167.40000109.1V395 V401 I407 L451 V481 K482 V483 L484V395-V397 HydrophobicContact CG1-CG2 4.03Å; V397-V401 HydrophobicContact CG1-CB 4.02Å; V397-V401 HydrophobicContact CG1-CG1 3.79Å; V397-V401 HydrophobicContact CG1-CG2 4.13Å; V397-I407 HydrophobicContact CB-CG2 4.41Å; V397-I407 HydrophobicContact CG1-CG2 4.39Å; V397-I407 HydrophobicContact CG2-CB 4.47Å; V397-I407 HydrophobicContact CG2-CD1 4.2Å; V397-I407 HydrophobicContact CG2-CG2 3.17Å; V397-L451 HydrophobicContact CB-CD1 4.48Å; V397-L451 HydrophobicContact CG1-CD1 4.2Å; V397-V481 HydrophobicContact CB-CG1 4.33Å; V397-V481 HydrophobicContact CG2-CG1 3.64Å; V397-K482 PolarHBondContact N-O 2.93Å; V397-V483 CarbonylContact O-C 3.57Å; V397-V483 VanDerWaalsContact O-CA 3.26Å; V397-V483 WeakPolarHBondContact O-CA 3.25Å; V397-L484 PolarHBondContact O-N 2.75Å
398P93.4Very high93Very high48 Ų4868.6 Ų68.631%0.31237%0.366SS..EExtended strand (participates in β ladder)trans-68.8149.6173.733.1-36000111D400 V401 L484 V486P398-D400 VanDerWaalsContact C-N 3.31Å; P398-D400 WeakPolarHBondContact CB-OD1 3.5Å; P398-D400 PolarHBondContact O-N 3.46Å; P398-V401 HydrophobicContact CG-CB 4.48Å; P398-V401 VanDerWaalsContact O-CB 3.25Å; P398-V401 WeakPolarHBondContact O-CB 3.1Å; P398-V401 VanDerWaalsContact O-CG1 3.22Å; P398-V401 WeakPolarHBondContact O-CG1 3.45Å; P398-V401 PolarHBondContact O-N 2.78Å; P398-L484 WeakPolarHBondContact CA-O 3.13Å; P398-L484 HydrophobicContact CB-CB 4.46Å; P398-V486 HydrophobicContact CB-CG2 3.88Å
399E93.2Very high93Very high11 Ų1172.9 Ų72.95%0.05139%0.388CS..THydrogen-bonded Turntrans-70.5-26-178.472.3-163.8126.100114.2V401 L451 R453 V483 L484 V486E399-V401 PolarHBondContact O-N 3Å; E399-V401 VanDerWaalsContact O-N 3.08Å; E399-L451 HydrophobicContact CB-CB 4.5Å; E399-R453 HydrophobicContact CB-CB 4.43Å; E399-R453 WeakPolarHBondContact OE2-CB 3.49Å; E399-R453 PolarHBondContact OE2-N 2.76Å; E399-V483 HydrophobicContact CB-CG1 3.65Å; E399-L484 PolarHBondContact N-O 3.37Å; E399-L484 VanDerWaalsContact N-O 3.14Å; E399-V486 HydrophobicContact CG-CB 3.9Å; E399-V486 HydrophobicContact CG-CG2 4.1Å; E399-V486 PolarHBondContact OE1-N 3.19Å; E399-V486 VanDerWaalsContact OE1-O 3.08Å
400D92Very high93.3Very high110 Ų11065.2 Ų65.259%0.58835%0.352SS*.THydrogen-bonded Turntrans-74.67.5176.876.4-22.8000114.1P398 E402 V486P398-D400 VanDerWaalsContact C-N 3.31Å; P398-D400 WeakPolarHBondContact CB-OD1 3.5Å; P398-D400 PolarHBondContact O-N 3.46Å; D400-E402 PolarHBondContact O-N 2.94Å; D400-V486 HydrophobicContact CB-CB 4.37Å; D400-V486 HydrophobicContact CB-CG1 4.07Å; D400-V486 HydrophobicContact CB-CG2 4.18Å
401V94Very high93.3Very high28 Ų2865 Ų6517%0.1735%0.352CS..PPolyproline II helixtrans-62.4133.7-178.469.80000112V397 P398 E399 T405 T447 L451V397-V401 HydrophobicContact CG1-CB 4.02Å; V397-V401 HydrophobicContact CG1-CG1 3.79Å; V397-V401 HydrophobicContact CG1-CG2 4.13Å; P398-V401 HydrophobicContact CG-CB 4.48Å; P398-V401 VanDerWaalsContact O-CB 3.25Å; P398-V401 WeakPolarHBondContact O-CB 3.1Å; P398-V401 VanDerWaalsContact O-CG1 3.22Å; P398-V401 WeakPolarHBondContact O-CG1 3.45Å; P398-V401 PolarHBondContact O-N 2.78Å; E399-V401 PolarHBondContact O-N 3Å; E399-V401 VanDerWaalsContact O-N 3.08Å; V401-T405 HydrophobicContact CG2-CG2 4.04Å; V401-T405 WeakPolarHBondContact CG2-OG1 3.23Å; V401-T447 HydrophobicContact CG1-CG2 3.8Å; V401-L451 HydrophobicContact CG1-CD1 4.1Å
402E93.3Very high93.3Very high157 Ų15760.7 Ų60.773%0.73432%0.322SS*.PPolyproline II helixtrans-64.8144.8175.9-66.8-175177.900111.8D400 G404 T405 T447D400-E402 PolarHBondContact O-N 2.94Å; E402-G404 PolarHBondContact O-N 2.89Å; E402-T405 HydrophobicContact CB-CG2 3.97Å; E402-T405 WeakPolarHBondContact O-CB 3.48Å; E402-T405 WeakPolarHBondContact O-CG2 3.47Å; E402-T405 PolarHBondContact O-N 3.18Å; E402-T405 PolarHBondContact O-OG1 3.17Å; E402-T447 PolarHBondContact O-OG1 2.86Å
403I93.6Very high93.1Very high109 Ų10960.9 Ų60.956%0.55932%0.323SS*.THydrogen-bonded Turntrans-65.6132.7176.1-56.8171.2000109.5T447I403-T447 WeakPolarHBondContact CA-OG1 3.36Å
404G90.8Very high92.8Very high37 Ų3760.1 Ų60.138%0.38132%0.32SS..THydrogen-bonded Turntrans87.211.3-179.500000113.8E402 M446 T447E402-G404 PolarHBondContact O-N 2.89Å; G404-M446 WeakPolarHBondContact O-CE 3.28Å; G404-T447 WeakPolarHBondContact CA-O 3.39Å; G404-T447 PolarHBondContact N-O 3.07Å; G404-T447 PolarHBondContact N-OG1 2.9Å; G404-T447 VanDerWaalsContact N-OG1 3.16Å
405T92.5Very high92.4Very high46 Ų4657.3 Ų57.328%0.28231%0.312SS..  trans-74137.7169.449.30000109.9V401 E402 M446 T447V401-T405 HydrophobicContact CG2-CG2 4.04Å; V401-T405 WeakPolarHBondContact CG2-OG1 3.23Å; E402-T405 HydrophobicContact CB-CG2 3.97Å; E402-T405 WeakPolarHBondContact O-CB 3.48Å; E402-T405 WeakPolarHBondContact O-CG2 3.47Å; E402-T405 PolarHBondContact O-N 3.18Å; E402-T405 PolarHBondContact O-OG1 3.17Å; T405-M446 WeakPolarHBondContact O-CA 3.21Å; T405-M446 WeakPolarHBondContact O-CB 3.36Å; T405-T447 PolarHBondContact N-OG1 2.91Å; T405-T447 PolarHBondContact O-N 3Å; T405-T447 PolarHBondContact OG1-OG1 2.84Å; T405-T447 VanDerWaalsContact OG1-OG1 3.12Å
406T94.4Very high91.9Very high80 Ų8058.3 Ų58.349%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-82.7120.3174.5-55.40000109.5A444T406-A444 HydrophobicContact CG2-CB 3.87Å
407I93.1Very high90.8Very high33 Ų3355.8 Ų55.817%0.16931%0.308CS..EExtended strand (participates in β ladder)trans-91.1-49-175.1-38.8178.4000110.7V395 V397 F436 L445 T447V395-I407 HydrophobicContact CB-CG2 4.48Å; V395-I407 HydrophobicContact CG1-CB 4.44Å; V395-I407 HydrophobicContact CG1-CG2 3.3Å; V397-I407 HydrophobicContact CB-CG2 4.41Å; V397-I407 HydrophobicContact CG1-CG2 4.39Å; V397-I407 HydrophobicContact CG2-CB 4.47Å; V397-I407 HydrophobicContact CG2-CD1 4.2Å; V397-I407 HydrophobicContact CG2-CG2 3.17Å; I407-F436 HydrophobicContact CD1-CD1 3.85Å; I407-F436 HydrophobicContact CD1-CE1 3.82Å; I407-L445 PolarHBondContact N-O 3.33Å; I407-T447 HydrophobicContact CD1-CG2 3.53Å; I407-T447 HydrophobicContact CG1-CG2 4.02Å
408Q93.4Very high89.5Confident72 Ų7263.1 Ų63.134%0.33635%0.346SS..EExtended strand (participates in β ladder)trans-152149.3-175.7-177.757.747.900110Y393 V395 L445Y393-Q408 HydrophobicContact CD1-CG 4.11Å; V395-Q408 HydrophobicContact CG1-CB 4.45Å; V395-Q408 HydrophobicContact CG2-CB 3.8Å; V395-Q408 HydrophobicContact CG2-CG 3.97Å; Q408-L445 WeakPolarHBondContact O-CB 3.47Å; Q408-L445 PolarHBondContact O-N 2.75Å
409I93.1Very high88.1Confident104 Ų10467.2 Ų67.253%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-102.5124.4170.7-58.2172.2000108.1
410I92.9Very high86.6Confident0 Ų073.2 Ų73.20%040%0.397CS..  trans-105.5126.9179.4-56.3170.2000107.2F388 Y393 G443 L445 V463 V477 V479F388-I410 HydrophobicContact CD1-CG2 3.65Å; F388-I410 HydrophobicContact CE1-CG2 3.46Å; F388-I410 VanDerWaalsContact CE1-CG2 3.46Å; Y393-I410 HydrophobicContact CD2-CG2 4.35Å; Y393-I410 HydrophobicContact CE2-CG2 3.75Å; I410-G443 PolarHBondContact N-O 2.8Å; I410-G443 WeakPolarHBondContact O-CA 3.32Å; I410-L445 HydrophobicContact CD1-CB 4.22Å; I410-L445 HydrophobicContact CD1-CD2 4.34Å; I410-V463 HydrophobicContact CD1-CB 4.1Å; I410-V463 HydrophobicContact CD1-CG1 4.09Å; I410-V463 HydrophobicContact CD1-CG2 3.61Å; I410-V463 HydrophobicContact CG2-CG1 4.39Å; I410-V477 HydrophobicContact CG2-CG1 4.04Å; I410-V479 HydrophobicContact CD1-CG2 3.68Å
411S90.8Very high85.8Confident66 Ų6669.5 Ų69.546%0.46238%0.38SS..  trans-126.5129.7-179.6-168.40000109.8Y393Y393-S411 PolarHBondContact OH-N 3.13Å
412A90.9Very high85.6Confident4 Ų468.9 Ų68.93%0.03338%0.375CS..EExtended strand (participates in β ladder)trans-105.2157.6164.200000109.3P386 V387 F388 I422 Y424 A465P386-A412 HydrophobicContact CB-CB 4.07Å; V387-A412 CarbonylContact O-C 3.47Å; V387-A412 VanDerWaalsContact O-CA 3.25Å; V387-A412 WeakPolarHBondContact O-CA 3.36Å; F388-A412 HydrophobicContact CD1-CB 3.75Å; F388-A412 HydrophobicContact CD2-CB 4.38Å; F388-A412 HydrophobicContact CE1-CB 3.79Å; F388-A412 HydrophobicContact CE2-CB 4.42Å; F388-A412 HydrophobicContact CG-CB 4.08Å; F388-A412 HydrophobicContact CZ-CB 4.17Å; A412-I422 HydrophobicContact CB-CD1 4.31Å; A412-I422 HydrophobicContact CB-CG2 4.4Å; A412-I422 VanDerWaalsContact O-CD1 3.29Å; A412-I422 WeakPolarHBondContact O-CD1 3.44Å; A412-Y424 HydrophobicContact CB-CE1 3.98Å; A412-Y424 PolarHBondContact N-OH 3.28Å; A412-Y424 PolarHBondContact O-OH 2.9Å; A412-A465 HydrophobicContact CB-CB 3.62Å
413K88.8Confident85.4Confident139 Ų13966.9 Ų66.960%0.60436%0.361SS*.EExtended strand (participates in β ladder)trans-128.6135.1171-174.2-174.1172.2-159.30108.2V387V387-K413 PolarHBondContact N-O 2.69Å; V387-K413 PolarHBondContact O-N 2.94Å
414D88.5Confident85.4Confident5 Ų562.6 Ų62.63%0.02734%0.338CS..  trans-85.8128.5174.2-166.3-83.9000109.2D416 V417 I422D414-D416 VanDerWaalsContact C-N 3.3Å; D414-D416 PolarHBondContact OD1-N 3.03Å; D414-V417 HydrophobicContact CB-CB 4.18Å; D414-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D414-V417 PolarHBondContact OD1-N 2.77Å; D414-I422 HydrophobicContact CB-CD1 4.18Å; D414-I422 HydrophobicContact CB-CG1 4.47Å
415P86.3Confident85.5Confident41 Ų4162.7 Ų62.727%0.26633%0.333SS..SBendtrans-60.7-37.9177.8-24.435.5000113.3E343 E384 V387E343-P415 HydrophobicContact CG-CB 3.99Å; E343-P415 WeakPolarHBondContact CG-O 3.44Å; E384-P415 HydrophobicContact CB-CG 4.26Å; V387-P415 HydrophobicContact CG2-CG 4.22Å
416D84.3Confident85.6Confident34 Ų3462 Ų6218%0.18233%0.327CS..SBendtrans-88.2-34.9-169.3-49.1-43.4000111.7D383 E384 D414D383-D416 WeakPolarHBondContact CA-OD2 3.47Å; E384-D416 PolarHBondContact N-OD2 2.97Å; D414-D416 VanDerWaalsContact C-N 3.3Å; D414-D416 PolarHBondContact OD1-N 3.03Å
417V73.5Confident85.7Confident42 Ų4260.8 Ų60.826%0.25532%0.317SS..  trans-100115.8-172.7-175.20000112.3D414 N419D414-V417 HydrophobicContact CB-CB 4.18Å; D414-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D414-V417 PolarHBondContact OD1-N 2.77Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 VanDerWaalsContact CG1-O 3.28Å; V417-N419 WeakPolarHBondContact CG1-O 3.08Å; V417-N419 PolarHBondContact O-N 3.03Å
418I65.9Low85.6Confident160 Ų16068.6 Ų68.682%0.82135%0.345SS*.SBendtrans-70.7-21.9179.2-58.1170.4000112.7
419N64.9Low85.5Confident134 Ų13469.6 Ų69.672%0.71736%0.36SS*.SBendtrans-117.1111.9-176.9-75.7-22.7000112.4V417 S421V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 VanDerWaalsContact CG1-O 3.28Å; V417-N419 WeakPolarHBondContact CG1-O 3.08Å; V417-N419 PolarHBondContact O-N 3.03Å; N419-S421 PolarHBondContact O-N 3.34Å
420N60.9Low85.5Confident136 Ų13665.9 Ų65.973%0.72734%0.343SS*.  trans-46.880.1-176-62.1-6.7000116.5
421S76.9Confident85.5Confident33 Ų3366.4 Ų66.423%0.23135%0.346CS..  trans-10137.4168.679.80000112.5N419 L468N419-S421 PolarHBondContact O-N 3.34Å; S421-L468 VanDerWaalsContact O-CB 3.25Å; S421-L468 WeakPolarHBondContact O-CB 3.29Å; S421-L468 PolarHBondContact O-N 3.16Å
422I88.4Confident85.5Confident14 Ų1468.6 Ų68.67%0.07236%0.359CS..EExtended strand (participates in β ladder)trans-87.1138.9-178.1-58165.7000109.7P386 A412 D414 Y424 A465P386-I422 HydrophobicContact CB-CD1 4.22Å; P386-I422 HydrophobicContact CB-CG1 4.43Å; P386-I422 HydrophobicContact CB-CG2 4.35Å; P386-I422 HydrophobicContact CG-CG1 4.36Å; P386-I422 HydrophobicContact CG-CG2 4.41Å; A412-I422 HydrophobicContact CB-CD1 4.31Å; A412-I422 HydrophobicContact CB-CG2 4.4Å; A412-I422 VanDerWaalsContact O-CD1 3.29Å; A412-I422 WeakPolarHBondContact O-CD1 3.44Å; D414-I422 HydrophobicContact CB-CD1 4.18Å; D414-I422 HydrophobicContact CB-CG1 4.47Å; I422-Y424 HydrophobicContact CG2-CE1 4.19Å; I422-Y424 HydrophobicContact CG2-CE2 4.33Å; I422-A465 HydrophobicContact CG2-CB 3.74Å
423R90.1Very high85.4Confident116 Ų11669.3 Ų69.344%0.43837%0.366SS..EExtended strand (participates in β ladder)trans-111.8135.5173.3-69.8178.2165.9178.20.6110.7I440 A465 M466R423-I440 WeakPolarHBondContact CA-O 3.35Å; R423-I440 HydrophobicContact CB-CD1 4.39Å; R423-I440 HydrophobicContact CB-CG1 3.91Å; R423-I440 HydrophobicContact CG-CD1 4.22Å; R423-I440 HydrophobicContact CG-CG1 3.97Å; R423-A465 WeakPolarHBondContact O-CA 3.34Å; R423-M466 HydrophobicContact CB-CG 4.04Å; R423-M466 PolarHBondContact N-O 3.11Å; R423-M466 PolarHBondContact O-N 2.78Å
424Y92.9Very high85.6Confident19 Ų1970.5 Ų70.58%0.07537%0.367CS..EExtended strand (participates in β ladder)trans-102.1145177.7-57.4-84000111.9F388 A412 I422 I440 L464 A465F388-Y424 HydrophobicContact CE1-CD1 4.16Å; F388-Y424 AromaticContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CZ-CD1 4.47Å; F388-Y424 HydrophobicContact CZ-CE1 4.47Å; A412-Y424 HydrophobicContact CB-CE1 3.98Å; A412-Y424 PolarHBondContact N-OH 3.28Å; A412-Y424 PolarHBondContact O-OH 2.9Å; I422-Y424 HydrophobicContact CG2-CE1 4.19Å; I422-Y424 HydrophobicContact CG2-CE2 4.33Å; Y424-I440 PolarHBondContact N-O 2.91Å; Y424-L464 CarbonylContact C-O 3.37Å; Y424-L464 WeakPolarHBondContact CA-O 3.47Å; Y424-A465 HydrophobicContact CD1-CB 4.16Å; Y424-A465 HydrophobicContact CE1-CB 4.09Å
425S93.6Very high85.8Confident39 Ų3972.6 Ų72.627%0.27338%0.376SS..EExtended strand (participates in β ladder)trans-150.9160.2171.662.20000110.6V463 L464S425-V463 CarbonylContact O-C 3.59Å; S425-V463 WeakPolarHBondContact O-CA 3.21Å; S425-L464 PolarHBondContact N-O 2.99Å; S425-L464 PolarHBondContact O-N 3.07Å
426I95.1Very high86.3Confident31 Ų3171.1 Ų71.116%0.15937%0.365CS..EExtended strand (participates in β ladder)trans-99.8136.1173.8-59.7172.9000107.9R428 D431 F436 V438 L445 I461 V463I426-R428 PolarHBondContact O-N 3.23Å; I426-D431 HydrophobicContact CG2-CB 4.17Å; I426-F436 HydrophobicContact CD1-CB 3.89Å; I426-V438 HydrophobicContact CD1-CB 4.21Å; I426-V438 HydrophobicContact CD1-CG1 4.36Å; I426-V438 HydrophobicContact CG1-CB 4.02Å; I426-V438 HydrophobicContact CG1-CG1 3.73Å; I426-L445 HydrophobicContact CD1-CD1 3.92Å; I426-I461 HydrophobicContact CG2-CB 4.45Å; I426-V463 HydrophobicContact CG1-CG2 4.32Å
427D94.8Very high86.8Confident54 Ų5475.1 Ų75.129%0.28938%0.379SS..  trans-66121170.4-17911.1000109.8S429 S430 D431 T462 L464D427-S429 PolarHBondContact O-N 2.87Å; D427-S429 PolarHBondContact OD1-N 3.36Å; D427-S429 PolarHBondContact OD2-OG 2.88Å; D427-S430 PolarHBondContact O-N 2.8Å; D427-S430 PolarHBondContact O-OG 2.95Å; D427-D431 PolarHBondContact O-N 2.87Å; D427-T462 WeakPolarHBondContact CB-OG1 3.44Å; D427-T462 PolarHBondContact N-O 3.02Å; D427-L464 HydrophobicContact CB-CD1 4.23Å; D427-L464 HydrophobicContact CB-CG 4.4Å
428R91.2Very high87.8Confident198 Ų19873.6 Ų73.675%0.74737%0.37SS*.THydrogen-bonded Turntrans-61.8-24.6-179.8-66.6-176.7177.7163.22.6112.9I426 S430 D431I426-R428 PolarHBondContact O-N 3.23Å; R428-S430 VanDerWaalsContact C-N 3.31Å; R428-D431 CarbonylContact O-C 3.4Å
429S92.1Very high89.2Confident92 Ų9267.9 Ų67.964%0.64334%0.341SS*.THydrogen-bonded Turntrans-69.7-33177.188.10000111.8D427D427-S429 PolarHBondContact O-N 2.87Å; D427-S429 PolarHBondContact OD1-N 3.36Å; D427-S429 PolarHBondContact OD2-OG 2.88Å
430S93.3Very high90.4Very high27 Ų2765.2 Ų65.219%0.18933%0.326CS..THydrogen-bonded Turntrans-83.2-24.3-177.9710000114D427 R428 T462D427-S430 PolarHBondContact O-N 2.8Å; D427-S430 PolarHBondContact O-OG 2.95Å; R428-S430 VanDerWaalsContact C-N 3.31Å; S430-T462 WeakPolarHBondContact CB-OG1 3.24Å; S430-T462 PolarHBondContact OG-N 3.12Å; S430-T462 PolarHBondContact OG-OG1 2.86Å; S430-T462 VanDerWaalsContact OG-OG1 3.1Å
431D92.9Very high91.8Very high11 Ų1164 Ų646%0.05932%0.323CS..  trans-128.373.2174-17615.7000111.3I426 D427 R428 G433 R434 F435 F436 I461I426-D431 HydrophobicContact CG2-CB 4.17Å; D427-D431 PolarHBondContact O-N 2.87Å; R428-D431 CarbonylContact O-C 3.4Å; D431-G433 PolarHBondContact O-N 3.46Å; D431-R434 PolarHBondContact O-N 2.88Å; D431-R434 PolarHBondContact OD1-N 3.06Å; D431-R434 VanDerWaalsContact OD2-C 3.32Å; D431-R434 VanDerWaalsContact OD2-CA 3.23Å; D431-R434 WeakPolarHBondContact OD2-CA 3.32Å; D431-F435 PolarHBondContact OD1-N 3.4Å; D431-F435 VanDerWaalsContact OD1-N 3.08Å; D431-F435 PolarHBondContact OD2-N 3.39Å; D431-F436 PolarHBondContact OD2-N 2.86Å; D431-I461 HydrophobicContact CB-CG2 4Å
432P89.9Confident92.4Very high112 Ų11265.5 Ų65.573%0.72733%0.333SS*.THydrogen-bonded Turntrans-64.3-28.3-18026.1-34.3000112.3R434P432-R434 VanDerWaalsContact C-N 3.33Å
433G88.9Confident92.5Very high19 Ų1964.8 Ų64.820%0.19633%0.33CS..THydrogen-bonded Turntrans-78.1-13.9179.400000114.2D431 F435 R449D431-G433 PolarHBondContact O-N 3.46Å; G433-F435 VanDerWaalsContact C-N 3.28Å; G433-F435 PolarHBondContact O-N 3.49Å; G433-R449 WeakPolarHBondContact O-CD 3.37Å; G433-R449 PolarHBondContact O-NH1 2.89Å
434R92.9Very high92.7Very high163 Ų16359.8 Ų59.862%0.61531%0.313SS*.  trans54.345.7-174-55.9-176.5-178.4-179.21.1111.7D431 P432 F436D431-R434 PolarHBondContact O-N 2.88Å; D431-R434 PolarHBondContact OD1-N 3.06Å; D431-R434 VanDerWaalsContact OD2-C 3.32Å; D431-R434 VanDerWaalsContact OD2-CA 3.23Å; D431-R434 WeakPolarHBondContact OD2-CA 3.32Å; P432-R434 VanDerWaalsContact C-N 3.33Å; R434-F436 VanDerWaalsContact C-N 3.27Å
435F93.8Very high92.8Very high49 Ų4958.9 Ų58.922%0.21531%0.31CS..  trans-71.8-25.5177-69.5-80.3000112.3D431 G433 A448 R449 L451 H459D431-F435 PolarHBondContact OD1-N 3.4Å; D431-F435 VanDerWaalsContact OD1-N 3.08Å; D431-F435 PolarHBondContact OD2-N 3.39Å; G433-F435 VanDerWaalsContact C-N 3.28Å; G433-F435 PolarHBondContact O-N 3.49Å; F435-A448 PolarHBondContact O-N 2.94Å; F435-R449 HydrophobicContact CD1-CB 3.91Å; F435-R449 HydrophobicContact CE1-CB 4.5Å; F435-R449 PolarHBondContact O-N 3.48Å; F435-L451 HydrophobicContact CB-CD2 4.05Å; F435-L451 HydrophobicContact CD1-CD2 4.07Å; F435-L451 HydrophobicContact CG-CD2 4.37Å; F435-H459 AromaticContact CD2-CE1 3.78Å
436F95.5Very high92.9Very high10 Ų1059.2 Ų59.24%0.04431%0.307CS..EExtended strand (participates in β ladder)trans-121.9155.6-176.4-54-81.9000112.5I407 I426 D431 R434 L445 M446 L451 H459 I461 V481I407-F436 HydrophobicContact CD1-CD1 3.85Å; I407-F436 HydrophobicContact CD1-CE1 3.82Å; I426-F436 HydrophobicContact CD1-CB 3.89Å; D431-F436 PolarHBondContact OD2-N 2.86Å; R434-F436 VanDerWaalsContact C-N 3.27Å; F436-L445 HydrophobicContact CB-CD1 3.98Å; F436-M446 CarbonylContact C-O 3.49Å; F436-M446 WeakPolarHBondContact CA-O 3.46Å; F436-L451 HydrophobicContact CE1-CD1 4.32Å; F436-L451 HydrophobicContact CE1-CD2 4.23Å; F436-L451 HydrophobicContact CZ-CD1 4.44Å; F436-L451 HydrophobicContact CZ-CD2 3.88Å; F436-H459 HydrophobicContact CE2-CB 3.55Å; F436-H459 AromaticContact CE2-CG 3.58Å; F436-H459 AromaticContact CE2-ND1 3.89Å; F436-H459 HydrophobicContact CZ-CB 3.94Å; F436-H459 AromaticContact CZ-CD2 3.93Å; F436-H459 AromaticContact CZ-CG 3.89Å; F436-I461 HydrophobicContact CB-CD1 4.17Å; F436-I461 HydrophobicContact CD2-CD1 4.16Å; F436-I461 HydrophobicContact CD2-CG2 3.82Å; F436-I461 HydrophobicContact CE2-CG2 4.18Å; F436-I461 HydrophobicContact CG-CD1 4.11Å; F436-V481 HydrophobicContact CE1-CB 4.39Å; F436-V481 HydrophobicContact CE1-CG1 4.03Å; F436-V481 HydrophobicContact CE1-CG2 4.14Å; F436-V481 HydrophobicContact CZ-CB 4.04Å; F436-V481 HydrophobicContact CZ-CG1 3.96Å; F436-V481 HydrophobicContact CZ-CG2 4.09Å
437Y94.6Very high92.9Very high119 Ų11957.9 Ų57.947%0.46730%0.301SS..EExtended strand (participates in β ladder)trans-133.3136.8174.1170.5-98.2000109.1D439 L445 M446Y437-D439 HydrophobicContact CE1-CB 4.41Å; Y437-L445 CarbonylContact O-C 3.52Å; Y437-M446 HydrophobicContact CD1-SD 4.23Å; Y437-M446 PolarHBondContact N-O 3.37Å; Y437-M446 PolarHBondContact O-N 2.85Å
438V95.7Very high92.8Very high10 Ų1057.3 Ų57.36%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-112.2131.5172.471.80000109.6I426 I440 A444 L445I426-V438 HydrophobicContact CD1-CB 4.21Å; I426-V438 HydrophobicContact CD1-CG1 4.36Å; I426-V438 HydrophobicContact CG1-CB 4.02Å; I426-V438 HydrophobicContact CG1-CG1 3.73Å; V438-I440 PolarHBondContact O-N 2.93Å; V438-A444 WeakPolarHBondContact CA-O 2.99Å; V438-L445 HydrophobicContact CB-CD1 4.44Å
439D94.1Very high92.9Very high40 Ų4054.1 Ų54.121%0.21429%0.292CS..  trans-68.8129173.9-179.467.7000111Y437 T441 S442 G443 A444Y437-D439 HydrophobicContact CE1-CB 4.41Å; D439-T441 VanDerWaalsContact C-N 3.26Å; D439-T441 PolarHBondContact O-N 2.84Å; D439-T441 PolarHBondContact OD2-N 3.48Å; D439-T441 PolarHBondContact OD2-OG1 3.48Å; D439-T441 VanDerWaalsContact OD2-OG1 3.13Å; D439-S442 VanDerWaalsContact CB-OG 3.24Å; D439-S442 WeakPolarHBondContact CB-OG 3.48Å; D439-S442 VanDerWaalsContact CG-OG 3.23Å; D439-S442 WeakPolarHBondContact OD2-CB 3.24Å; D439-S442 PolarHBondContact OD2-N 2.79Å; D439-S442 PolarHBondContact OD2-OG 3.23Å; D439-G443 WeakPolarHBondContact O-CA 3.37Å; D439-G443 PolarHBondContact O-N 3.08Å; D439-A444 HydrophobicContact CB-CB 4.24Å; D439-A444 PolarHBondContact N-O 3.22Å
440I91.1Very high93Very high78 Ų7853.9 Ų53.940%0.429%0.288SS..THydrogen-bonded Turntrans-62.6-29.9-170-170.2171.3000113.4R423 Y424 V438R423-I440 WeakPolarHBondContact CA-O 3.35Å; R423-I440 HydrophobicContact CB-CD1 4.39Å; R423-I440 HydrophobicContact CB-CG1 3.91Å; R423-I440 HydrophobicContact CG-CD1 4.22Å; R423-I440 HydrophobicContact CG-CG1 3.97Å; Y424-I440 PolarHBondContact N-O 2.91Å; V438-I440 PolarHBondContact O-N 2.93Å
441T89.7Confident93Very high111 Ų11153 Ų5368%0.68128%0.281SS*.THydrogen-bonded Turntrans-105-36.9-176.8530000114.5D439D439-T441 VanDerWaalsContact C-N 3.26Å; D439-T441 PolarHBondContact O-N 2.84Å; D439-T441 PolarHBondContact OD2-N 3.48Å; D439-T441 PolarHBondContact OD2-OG1 3.48Å; D439-T441 VanDerWaalsContact OD2-OG1 3.13Å
442S90.1Very high93Very high63 Ų6356.2 Ų56.244%0.44130%0.298SS..THydrogen-bonded Turntrans-92.2-17-175.763.10000113.1D439 A444D439-S442 VanDerWaalsContact CB-OG 3.24Å; D439-S442 WeakPolarHBondContact CB-OG 3.48Å; D439-S442 VanDerWaalsContact CG-OG 3.23Å; D439-S442 WeakPolarHBondContact OD2-CB 3.24Å; D439-S442 PolarHBondContact OD2-N 2.79Å; D439-S442 PolarHBondContact OD2-OG 3.23Å; S442-A444 PolarHBondContact O-N 2.89Å; S442-A444 WeakPolarHBondContact OG-CB 3.24Å; S442-A444 PolarHBondContact OG-N 2.98Å
443G90.8Very high93.2Very high0 Ų052.9 Ų52.90%027%0.271CS..  trans68.515.3-17500000113.4I410 D439 L445I410-G443 PolarHBondContact N-O 2.8Å; I410-G443 WeakPolarHBondContact O-CA 3.32Å; D439-G443 WeakPolarHBondContact O-CA 3.37Å; D439-G443 PolarHBondContact O-N 3.08Å; G443-L445 PolarHBondContact O-N 2.71Å
444A94.4Very high93.3Very high10 Ų1054.5 Ų54.58%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-70.2114.8176.100000110.4T406 V438 D439 S442T406-A444 HydrophobicContact CG2-CB 3.87Å; V438-A444 WeakPolarHBondContact CA-O 2.99Å; D439-A444 HydrophobicContact CB-CB 4.24Å; D439-A444 PolarHBondContact N-O 3.22Å; S442-A444 PolarHBondContact O-N 2.89Å; S442-A444 WeakPolarHBondContact OG-CB 3.24Å; S442-A444 PolarHBondContact OG-N 2.98Å
445L95.4Very high93.2Very high0 Ų052.6 Ų52.60%028%0.275CS..EExtended strand (participates in β ladder)trans-83.2126.3174-176.268.6000109.6I407 Q408 I410 I426 F436 Y437 V438 G443 I461 V479I407-L445 PolarHBondContact N-O 3.33Å; Q408-L445 WeakPolarHBondContact O-CB 3.47Å; Q408-L445 PolarHBondContact O-N 2.75Å; I410-L445 HydrophobicContact CD1-CB 4.22Å; I410-L445 HydrophobicContact CD1-CD2 4.34Å; I426-L445 HydrophobicContact CD1-CD1 3.92Å; F436-L445 HydrophobicContact CB-CD1 3.98Å; Y437-L445 CarbonylContact O-C 3.52Å; V438-L445 HydrophobicContact CB-CD1 4.44Å; G443-L445 PolarHBondContact O-N 2.71Å; L445-I461 HydrophobicContact CD1-CD1 3.81Å; L445-I461 HydrophobicContact CD2-CD1 3.92Å; L445-V479 HydrophobicContact CD2-CG1 4.04Å
446M94.8Very high93.1Very high46 Ų4652.6 Ų52.623%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-131.1152.7-172.9-54.1172.876.400111.2G404 T405 F436 Y437G404-M446 WeakPolarHBondContact O-CE 3.28Å; T405-M446 WeakPolarHBondContact O-CA 3.21Å; T405-M446 WeakPolarHBondContact O-CB 3.36Å; F436-M446 CarbonylContact C-O 3.49Å; F436-M446 WeakPolarHBondContact CA-O 3.46Å; Y437-M446 HydrophobicContact CD1-SD 4.23Å; Y437-M446 PolarHBondContact N-O 3.37Å; Y437-M446 PolarHBondContact O-N 2.85Å
447T95.1Very high92.9Very high3 Ų354.4 Ų54.42%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-73.2130.2170.554.50000110.4V401 E402 I403 G404 T405 I407 L451V401-T447 HydrophobicContact CG1-CG2 3.8Å; E402-T447 PolarHBondContact O-OG1 2.86Å; I403-T447 WeakPolarHBondContact CA-OG1 3.36Å; G404-T447 WeakPolarHBondContact CA-O 3.39Å; G404-T447 PolarHBondContact N-O 3.07Å; G404-T447 PolarHBondContact N-OG1 2.9Å; G404-T447 VanDerWaalsContact N-OG1 3.16Å; T405-T447 PolarHBondContact N-OG1 2.91Å; T405-T447 PolarHBondContact O-N 3Å; T405-T447 PolarHBondContact OG1-OG1 2.84Å; T405-T447 VanDerWaalsContact OG1-OG1 3.12Å; I407-T447 HydrophobicContact CD1-CG2 3.53Å; I407-T447 HydrophobicContact CG1-CG2 4.02Å; T447-L451 HydrophobicContact CG2-CD1 4.28Å
448A93.7Very high92.9Very high42 Ų4254.8 Ų54.835%0.34729%0.294SS..  trans-108.2-22.717900000112.7F435F435-A448 PolarHBondContact O-N 2.94Å
449R93.2Very high92.8Very high132 Ų13255.1 Ų55.150%0.49830%0.295SS..SBendtrans-136.1159.5176.2-72.2-177.4162.7-170.9-10.7110G433 F435G433-R449 WeakPolarHBondContact O-CD 3.37Å; G433-R449 PolarHBondContact O-NH1 2.89Å; F435-R449 HydrophobicContact CD1-CB 3.91Å; F435-R449 HydrophobicContact CE1-CB 4.5Å; F435-R449 PolarHBondContact O-N 3.48Å
450P92.6Very high92.9Very high87 Ų8758.2 Ų58.257%0.56531%0.311SS*.  trans-58.7141.2170.727.1-35.1000109.8
451L93.7Very high93.1Very high9 Ų954.6 Ų54.65%0.04729%0.293CS..  trans-95147.4172.8-58.3177.4000107.7V397 E399 V401 F435 F436 T447 V483V397-L451 HydrophobicContact CB-CD1 4.48Å; V397-L451 HydrophobicContact CG1-CD1 4.2Å; E399-L451 HydrophobicContact CB-CB 4.5Å; V401-L451 HydrophobicContact CG1-CD1 4.1Å; F435-L451 HydrophobicContact CB-CD2 4.05Å; F435-L451 HydrophobicContact CD1-CD2 4.07Å; F435-L451 HydrophobicContact CG-CD2 4.37Å; F436-L451 HydrophobicContact CE1-CD1 4.32Å; F436-L451 HydrophobicContact CE1-CD2 4.23Å; F436-L451 HydrophobicContact CZ-CD1 4.44Å; F436-L451 HydrophobicContact CZ-CD2 3.88Å; T447-L451 HydrophobicContact CG2-CD1 4.28Å; L451-V483 HydrophobicContact CB-CG1 4.28Å; L451-V483 HydrophobicContact CD1-CG2 4.47Å
452D93.1Very high93.4Very high77 Ų7751.5 Ų51.541%0.41227%0.274SS..  trans-139.9111.8179.7176.3-20.1000105.9E454 D455 V456D452-E454 VanDerWaalsContact C-N 3.33Å; D452-E454 WeakPolarHBondContact OD1-CB 3.45Å; D452-E454 PolarHBondContact OD1-N 3.32Å; D452-E454 VanDerWaalsContact OD1-N 3.08Å; D452-D455 HydrophobicContact CB-CB 4.33Å; D452-D455 PolarHBondContact OD1-N 2.68Å; D452-D455 VanDerWaalsContact OD1-N 3.17Å; D452-V456 PolarHBondContact O-N 3.45Å
453R93.3Very high93.6Very high42 Ų4248.5 Ų48.516%0.15825%0.253CS..THydrogen-bonded Turntrans-73-31.5-172.8-174.5-110.3167.3153.6-6.3111E399 D455 V456 S457 V483 D485 D521E399-R453 HydrophobicContact CB-CB 4.43Å; E399-R453 WeakPolarHBondContact OE2-CB 3.49Å; E399-R453 PolarHBondContact OE2-N 2.76Å; R453-D455 VanDerWaalsContact C-N 3.3Å; R453-V456 CarbonylContact O-C 3.56Å; R453-S457 PolarHBondContact O-N 2.78Å; R453-V483 HydrophobicContact CB-CB 4.24Å; R453-V483 HydrophobicContact CB-CG1 3.78Å; R453-V483 HydrophobicContact CG-CB 4.23Å; R453-V483 HydrophobicContact CG-CG1 4.23Å; R453-D485 IonicContact CZ-OD1 3.72Å; R453-D485 IonicContact NH1-OD1 3.87Å; R453-D485 PolarHBondContact NH1-OD1 3.22Å; R453-D485 IonicContact NH1-OD2 3.83Å; R453-D521 IonicContact CZ-OD2 3.48Å; R453-D521 VanDerWaalsContact NH1-CA 3.31Å; R453-D521 PolarHBondContact NH1-O 2.83Å; R453-D521 IonicContact NH1-OD2 2.71Å; R453-D521 IonicContact NH2-OD2 3.48Å; R453-D521 PolarHBondContact NH2-OD2 3.34Å
454E92.4Very high93.8Very high53 Ų5350.3 Ų50.325%0.24826%0.262CS..THydrogen-bonded Turntrans-69.8-28178.6-74.456.7-115.300111.9D452 R519D452-E454 VanDerWaalsContact C-N 3.33Å; D452-E454 WeakPolarHBondContact OD1-CB 3.45Å; D452-E454 PolarHBondContact OD1-N 3.32Å; D452-E454 VanDerWaalsContact OD1-N 3.08Å; E454-R519 HydrophobicContact CG-CB 3.73Å
455D91.2Very high93.7Very high123 Ų12349.9 Ų49.966%0.65826%0.258SS*.THydrogen-bonded Turntrans-82.3-57.3169.6-166.429.2000111.4D452 R453D452-D455 HydrophobicContact CB-CB 4.33Å; D452-D455 PolarHBondContact OD1-N 2.68Å; D452-D455 VanDerWaalsContact OD1-N 3.17Å; R453-D455 VanDerWaalsContact C-N 3.3Å
456V91.3Very high93.5Very high50 Ų5052 Ų5230%0.30327%0.269SS..  trans-139.2101.5-176.6-174.70000111.6D452 R453 W458D452-V456 PolarHBondContact O-N 3.45Å; R453-V456 CarbonylContact O-C 3.56Å; V456-W458 VanDerWaalsContact CG1-O 3.32Å; V456-W458 WeakPolarHBondContact CG1-O 3.09Å; V456-W458 PolarHBondContact O-N 2.96Å
457S91.8Very high93.1Very high47 Ų4750.6 Ų50.633%0.32926%0.262SS..SBendtrans-75.7-17.7179.650.20000115.4R453 V483R453-S457 PolarHBondContact O-N 2.78Å; S457-V483 PolarHBondContact O-N 3.05Å
458W94.1Very high92.3Very high127 Ų12754.2 Ų54.248%0.48128%0.281SS..EExtended strand (participates in β ladder)trans-138.8124.7-178.4-64.881.1000111.4F394 V456 T480 K482F394-W458 HydrophobicContact CE2-CH2 4.17Å; F394-W458 AromaticContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CZ-CZ3 4.4Å; V456-W458 VanDerWaalsContact CG1-O 3.32Å; V456-W458 WeakPolarHBondContact CG1-O 3.09Å; V456-W458 PolarHBondContact O-N 2.96Å; W458-T480 HydrophobicContact CE3-CG2 3.6Å; W458-T480 HydrophobicContact CZ3-CG2 3.82Å; W458-K482 HydrophobicContact CD2-CB 4.35Å; W458-K482 HydrophobicContact CD2-CG 4.27Å; W458-K482 HydrophobicContact CE3-CB 3.97Å; W458-K482 HydrophobicContact CE3-CG 4.3Å; W458-K482 HydrophobicContact CH2-CB 4.09Å; W458-K482 HydrophobicContact CH2-CD 3.59Å; W458-K482 HydrophobicContact CH2-CG 3.87Å; W458-K482 HydrophobicContact CZ2-CB 4.41Å; W458-K482 HydrophobicContact CZ2-CD 3.69Å; W458-K482 HydrophobicContact CZ2-CG 3.78Å; W458-K482 HydrophobicContact CZ3-CB 3.88Å; W458-K482 HydrophobicContact CZ3-CD 4.23Å; W458-K482 HydrophobicContact CZ3-CG 4.15Å
459H94Very high91.6Very high18 Ų1858 Ų588%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-109.2121.4171.8-62.6-91.8000110.3F435 F436 I461 V481F435-H459 AromaticContact CD2-CE1 3.78Å; F436-H459 HydrophobicContact CE2-CB 3.55Å; F436-H459 AromaticContact CE2-CG 3.58Å; F436-H459 AromaticContact CE2-ND1 3.89Å; F436-H459 HydrophobicContact CZ-CB 3.94Å; F436-H459 AromaticContact CZ-CD2 3.93Å; F436-H459 AromaticContact CZ-CG 3.89Å; H459-I461 HydrophobicContact CB-CG2 4.5Å; H459-V481 HydrophobicContact CB-CB 4.27Å; H459-V481 PolarHBondContact N-O 2.81Å; H459-V481 PolarHBondContact O-N 2.87Å
460N95.1Very high90.9Very high105 Ų10554 Ų5456%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans-105.2100.8172.5-70.2-37.4000108.5T480N460-T480 WeakPolarHBondContact OD1-CB 3.48Å; N460-T480 WeakPolarHBondContact OD1-CG2 3.45Å; N460-T480 PolarHBondContact OD1-OG1 2.91Å
461I95.1Very high90.3Very high2 Ų254 Ų541%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-106.1151.7179.468.2178.4000109.9I426 D431 F436 L445 H459 V463 V479I426-I461 HydrophobicContact CG2-CB 4.45Å; D431-I461 HydrophobicContact CB-CG2 4Å; F436-I461 HydrophobicContact CB-CD1 4.17Å; F436-I461 HydrophobicContact CD2-CD1 4.16Å; F436-I461 HydrophobicContact CD2-CG2 3.82Å; F436-I461 HydrophobicContact CE2-CG2 4.18Å; F436-I461 HydrophobicContact CG-CD1 4.11Å; L445-I461 HydrophobicContact CD1-CD1 3.81Å; L445-I461 HydrophobicContact CD2-CD1 3.92Å; H459-I461 HydrophobicContact CB-CG2 4.5Å; I461-V463 HydrophobicContact CD1-CG2 4.5Å; I461-V479 HydrophobicContact CD1-CB 4.27Å; I461-V479 HydrophobicContact CD1-CG1 4.49Å; I461-V479 HydrophobicContact CG1-CB 3.72Å; I461-V479 HydrophobicContact CG1-CG1 4.35Å; I461-V479 HydrophobicContact CG1-CG2 4.48Å; I461-V479 WeakPolarHBondContact CG1-O 3.37Å; I461-V479 PolarHBondContact N-O 3.35Å; I461-V479 PolarHBondContact O-N 2.84Å
462T95.7Very high89.8Confident45 Ų4557.9 Ų57.928%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-114.8126173.653.80000109.3D427 S430 V477D427-T462 WeakPolarHBondContact CB-OG1 3.44Å; D427-T462 PolarHBondContact N-O 3.02Å; S430-T462 WeakPolarHBondContact CB-OG1 3.24Å; S430-T462 PolarHBondContact OG-N 3.12Å; S430-T462 PolarHBondContact OG-OG1 2.86Å; S430-T462 VanDerWaalsContact OG-OG1 3.1Å; T462-V477 CarbonylContact C-O 3.46Å; T462-V477 WeakPolarHBondContact CA-O 3.47Å
463V95.4Very high89.5Confident0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-104.6130.9-180-179.30000108.3I410 S425 I426 I461 S476 V477 V479I410-V463 HydrophobicContact CD1-CB 4.1Å; I410-V463 HydrophobicContact CD1-CG1 4.09Å; I410-V463 HydrophobicContact CD1-CG2 3.61Å; I410-V463 HydrophobicContact CG2-CG1 4.39Å; S425-V463 CarbonylContact O-C 3.59Å; S425-V463 WeakPolarHBondContact O-CA 3.21Å; I426-V463 HydrophobicContact CG1-CG2 4.32Å; I461-V463 HydrophobicContact CD1-CG2 4.5Å; V463-S476 CarbonylContact O-C 3.56Å; V463-S476 WeakPolarHBondContact O-CA 3.42Å; V463-V477 HydrophobicContact CB-CG1 3.98Å; V463-V477 PolarHBondContact N-O 2.77Å; V463-V477 PolarHBondContact O-N 2.87Å; V463-V479 HydrophobicContact CB-CG2 4.45Å; V463-V479 HydrophobicContact CG2-CG2 3.79Å
464L94.4Very high89.4Confident39 Ų3958 Ų5820%0.20432%0.315CS..EExtended strand (participates in β ladder)trans-105136.6-177.8-52.9178.6000109.5Y424 S425 D427 V474 G475Y424-L464 CarbonylContact C-O 3.37Å; Y424-L464 WeakPolarHBondContact CA-O 3.47Å; S425-L464 PolarHBondContact N-O 2.99Å; S425-L464 PolarHBondContact O-N 3.07Å; D427-L464 HydrophobicContact CB-CD1 4.23Å; D427-L464 HydrophobicContact CB-CG 4.4Å; L464-V474 HydrophobicContact CB-CG1 3.95Å; L464-V474 HydrophobicContact CD1-CG1 4.44Å; L464-V474 HydrophobicContact CD2-CG1 4.11Å; L464-V474 HydrophobicContact CG-CG1 4.39Å; L464-G475 CarbonylContact C-O 3.33Å; L464-G475 VanDerWaalsContact CA-O 3.26Å; L464-G475 WeakPolarHBondContact CA-O 3.47Å
465A92.9Very high89.4Confident0 Ų055.9 Ų55.90%031%0.308CS..EExtended strand (participates in β ladder)trans-116.7131.917000000109P386 F388 A412 I422 R423 Y424 V474 G475P386-A465 HydrophobicContact CB-CB 3.97Å; F388-A465 HydrophobicContact CE1-CB 4.03Å; F388-A465 HydrophobicContact CE2-CB 3.67Å; F388-A465 HydrophobicContact CZ-CB 3.29Å; A412-A465 HydrophobicContact CB-CB 3.62Å; I422-A465 HydrophobicContact CG2-CB 3.74Å; R423-A465 WeakPolarHBondContact O-CA 3.34Å; Y424-A465 HydrophobicContact CD1-CB 4.16Å; Y424-A465 HydrophobicContact CE1-CB 4.09Å; A465-V474 CarbonylContact O-C 3.52Å; A465-V474 WeakPolarHBondContact O-CA 3.44Å; A465-G475 PolarHBondContact N-O 2.89Å; A465-G475 PolarHBondContact O-N 2.97Å
466M90.1Very high89.5Confident46 Ų4654.1 Ų54.123%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-137.5148.3179.562-171.267.200110.3R423 V474R423-M466 HydrophobicContact CB-CG 4.04Å; R423-M466 PolarHBondContact N-O 3.11Å; R423-M466 PolarHBondContact O-N 2.78Å; M466-V474 HydrophobicContact CB-CG2 4.4Å
467E87.1Confident89.7Confident16 Ų1652 Ų528%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-75.1149.8178.3-153.5-128167.100111N469 N470E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.21Å; E467-N469 PolarHBondContact OE1-ND2 3.16Å; E467-N469 WeakPolarHBondContact OE2-CB 3.46Å; E467-N469 PolarHBondContact OE2-N 3.38Å; E467-N470 WeakPolarHBondContact OE2-CB 3.37Å; E467-N470 PolarHBondContact OE2-N 2.97Å
468L79Confident89.9Confident78 Ų7852.6 Ų52.641%0.40830%0.297SS..SBendtrans-63.6-38-178.5177.465000112.3S421S421-L468 VanDerWaalsContact O-CB 3.25Å; S421-L468 WeakPolarHBondContact O-CB 3.29Å; S421-L468 PolarHBondContact O-N 3.16Å
469N78.2Confident90Very high123 Ų12346.6 Ų46.666%0.65827%0.274SS*.SBendtrans-95.4-30.2-171.9-50.4-51.8000111.3E467 P471E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.21Å; E467-N469 PolarHBondContact OE1-ND2 3.16Å; E467-N469 WeakPolarHBondContact OE2-CB 3.46Å; E467-N469 PolarHBondContact OE2-N 3.38Å; N469-P471 WeakPolarHBondContact O-CD 3.19Å
470N78.8Confident90Very high46 Ų4647.4 Ų47.425%0.24628%0.28CS..  trans-11986.9175.4-163.7-5.1000113.4D383 E467 S472 Q473D383-N470 PolarHBondContact OD2-ND2 2.96Å; E467-N470 WeakPolarHBondContact OE2-CB 3.37Å; E467-N470 PolarHBondContact OE2-N 2.97Å; N470-S472 PolarHBondContact O-N 2.74Å; N470-S472 VanDerWaalsContact O-N 3.12Å; N470-S472 WeakPolarHBondContact OD1-CB 3.37Å; N470-S472 PolarHBondContact OD1-N 3.23Å; N470-S472 PolarHBondContact OD1-OG 3.24Å; N470-Q473 PolarHBondContact O-N 2.96Å
471P79.6Confident90.1Very high88 Ų8842.4 Ų42.457%0.57125%0.253SS*.THydrogen-bonded Turntrans-73-1.5179.531.6-36.4000113.9N469N469-P471 WeakPolarHBondContact O-CD 3.19Å
472S84.1Confident90.1Very high90 Ų9044.9 Ų44.963%0.62926%0.264SS*.THydrogen-bonded Turntrans-81.2-25.1178.172.10000112.9N470N470-S472 PolarHBondContact O-N 2.74Å; N470-S472 VanDerWaalsContact O-N 3.12Å; N470-S472 WeakPolarHBondContact OD1-CB 3.37Å; N470-S472 PolarHBondContact OD1-N 3.23Å; N470-S472 PolarHBondContact OD1-OG 3.24Å
473Q86.1Confident90Very high59 Ų5943 Ų4328%0.27625%0.252SS..  trans-90.6113.2177.1-69-67.97.200109.6D383 P385 N470D383-Q473 PolarHBondContact O-NE2 3.15Å; P385-Q473 HydrophobicContact CB-CB 4.06Å; N470-Q473 PolarHBondContact O-N 2.96Å
474V90.5Very high89.9Confident63 Ų6345.3 Ų45.338%0.38227%0.265SS..EExtended strand (participates in β ladder)trans-126.7115.5-173.8-174.80000110.3L464 A465 M466L464-V474 HydrophobicContact CB-CG1 3.95Å; L464-V474 HydrophobicContact CD1-CG1 4.44Å; L464-V474 HydrophobicContact CD2-CG1 4.11Å; L464-V474 HydrophobicContact CG-CG1 4.39Å; A465-V474 CarbonylContact O-C 3.52Å; A465-V474 WeakPolarHBondContact O-CA 3.44Å; M466-V474 HydrophobicContact CB-CG2 4.4Å
475G92.4Very high89.8Confident8 Ų845.5 Ų45.58%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-80.8147.7163.900000110.7P386 L464 A465P386-G475 VanDerWaalsContact O-CA 3.29Å; P386-G475 WeakPolarHBondContact O-CA 3.36Å; L464-G475 CarbonylContact C-O 3.33Å; L464-G475 VanDerWaalsContact CA-O 3.26Å; L464-G475 WeakPolarHBondContact CA-O 3.47Å; A465-G475 PolarHBondContact N-O 2.89Å; A465-G475 PolarHBondContact O-N 2.97Å
476S94.3Very high89.7Confident86 Ų8647 Ų4760%0.60128%0.275SS*.EExtended strand (participates in β ladder)trans-134.2146.117463.90000111.6V463V463-S476 CarbonylContact O-C 3.56Å; V463-S476 WeakPolarHBondContact O-CA 3.42Å
477V95.8Very high89.8Confident6 Ų645.7 Ų45.74%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-137.5139.7175.4670000110.9F388 S391 Y393 I410 T462 V463 V479F388-V477 HydrophobicContact CB-CB 3.99Å; F388-V477 HydrophobicContact CB-CG1 4.41Å; F388-V477 HydrophobicContact CB-CG2 4.18Å; F388-V477 HydrophobicContact CD1-CB 4.07Å; F388-V477 HydrophobicContact CD1-CG1 3.57Å; F388-V477 HydrophobicContact CD2-CB 3.61Å; F388-V477 HydrophobicContact CD2-CG1 3.85Å; F388-V477 HydrophobicContact CE1-CB 4.42Å; F388-V477 HydrophobicContact CE1-CG1 3.59Å; F388-V477 HydrophobicContact CE2-CB 3.99Å; F388-V477 HydrophobicContact CE2-CG1 3.85Å; F388-V477 HydrophobicContact CG-CB 3.63Å; F388-V477 HydrophobicContact CG-CG1 3.69Å; F388-V477 HydrophobicContact CG-CG2 4.32Å; F388-V477 HydrophobicContact CZ-CB 4.36Å; F388-V477 HydrophobicContact CZ-CG1 3.71Å; S391-V477 WeakPolarHBondContact O-CG2 3.46Å; Y393-V477 HydrophobicContact CD2-CG1 4.37Å; Y393-V477 HydrophobicContact CD2-CG2 3.8Å; Y393-V477 HydrophobicContact CE2-CG1 4.33Å; Y393-V477 HydrophobicContact CE2-CG2 3.98Å; I410-V477 HydrophobicContact CG2-CG1 4.04Å; T462-V477 CarbonylContact C-O 3.46Å; T462-V477 WeakPolarHBondContact CA-O 3.47Å; V463-V477 HydrophobicContact CB-CG1 3.98Å; V463-V477 PolarHBondContact N-O 2.77Å; V463-V477 PolarHBondContact O-N 2.87Å; V477-V479 HydrophobicContact CG1-CG2 4.46Å
478S94.8Very high89.9Confident60 Ų6049.2 Ų49.242%0.4229%0.288SS..EExtended strand (participates in β ladder)trans-84.1129.9173.559.80000111Y393Y393-S478 PolarHBondContact N-O 3.44Å; Y393-S478 VanDerWaalsContact N-O 3.13Å
479V95.8Very high90.5Very high0 Ų047.7 Ų47.70%028%0.28CS..EExtended strand (participates in β ladder)trans-119.1117.6173.9-173.60000108.2Y393 V395 I410 L445 I461 V463 V477 V481Y393-V479 HydrophobicContact CD2-CG2 4.37Å; Y393-V479 WeakPolarHBondContact O-CA 3.18Å; V395-V479 HydrophobicContact CG2-CG1 4.37Å; I410-V479 HydrophobicContact CD1-CG2 3.68Å; L445-V479 HydrophobicContact CD2-CG1 4.04Å; I461-V479 HydrophobicContact CD1-CB 4.27Å; I461-V479 HydrophobicContact CD1-CG1 4.49Å; I461-V479 HydrophobicContact CG1-CB 3.72Å; I461-V479 HydrophobicContact CG1-CG1 4.35Å; I461-V479 HydrophobicContact CG1-CG2 4.48Å; I461-V479 WeakPolarHBondContact CG1-O 3.37Å; I461-V479 PolarHBondContact N-O 3.35Å; I461-V479 PolarHBondContact O-N 2.84Å; V463-V479 HydrophobicContact CB-CG2 4.45Å; V463-V479 HydrophobicContact CG2-CG2 3.79Å; V477-V479 HydrophobicContact CG1-CG2 4.46Å; V479-V481 HydrophobicContact CG1-CG2 4.22Å
480T95.9Very high91.2Very high35 Ų3543.7 Ų43.722%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-99.8117.5175-64.70000108.8Y393 F394 V395 W458 N460Y393-T480 PolarHBondContact O-N 3.22Å; F394-T480 WeakPolarHBondContact CA-O 3.39Å; F394-T480 HydrophobicContact CD2-CG2 4.05Å; F394-T480 HydrophobicContact CE2-CG2 4.25Å; V395-T480 PolarHBondContact N-O 2.71Å; W458-T480 HydrophobicContact CE3-CG2 3.6Å; W458-T480 HydrophobicContact CZ3-CG2 3.82Å; N460-T480 WeakPolarHBondContact OD1-CB 3.48Å; N460-T480 WeakPolarHBondContact OD1-CG2 3.45Å; N460-T480 PolarHBondContact OD1-OG1 2.91Å
481V95.7Very high91.9Very high0 Ų041.5 Ų41.50%025%0.253CS..EExtended strand (participates in β ladder)trans-104.4116.3175.7-172.30000108.1V395 V397 F436 H459 V479V395-V481 CarbonylContact O-C 3.59Å; V395-V481 WeakPolarHBondContact O-CA 3.26Å; V397-V481 HydrophobicContact CB-CG1 4.33Å; V397-V481 HydrophobicContact CG2-CG1 3.64Å; F436-V481 HydrophobicContact CE1-CB 4.39Å; F436-V481 HydrophobicContact CE1-CG1 4.03Å; F436-V481 HydrophobicContact CE1-CG2 4.14Å; F436-V481 HydrophobicContact CZ-CB 4.04Å; F436-V481 HydrophobicContact CZ-CG1 3.96Å; F436-V481 HydrophobicContact CZ-CG2 4.09Å; H459-V481 HydrophobicContact CB-CB 4.27Å; H459-V481 PolarHBondContact N-O 2.81Å; H459-V481 PolarHBondContact O-N 2.87Å; V479-V481 HydrophobicContact CG1-CG2 4.22Å
482K95.1Very high92.5Very high55 Ų5542 Ų4224%0.23925%0.247CC..EExtended strand (participates in β ladder)trans-95122.5173.1178.9-174.3169.7-1630108.7F394 V395 E396 V397 W458F394-K482 HydrophobicContact CE2-CB 4Å; F394-K482 HydrophobicContact CZ-CB 4.01Å; F394-K482 HydrophobicContact CZ-CD 3.98Å; V395-K482 PolarHBondContact O-N 3.31Å; E396-K482 WeakPolarHBondContact CA-O 3.36Å; E396-K482 HydrophobicContact CG-CB 4.32Å; E396-K482 HydrophobicContact CG-CD 4.22Å; E396-K482 WeakPolarHBondContact OE1-CD 3.47Å; E396-K482 IonicContact OE1-NZ 2.75Å; E396-K482 PolarHBondContact OE1-NZ 3.04Å; V397-K482 PolarHBondContact N-O 2.93Å; W458-K482 HydrophobicContact CD2-CB 4.35Å; W458-K482 HydrophobicContact CD2-CG 4.27Å; W458-K482 HydrophobicContact CE3-CB 3.97Å; W458-K482 HydrophobicContact CE3-CG 4.3Å; W458-K482 HydrophobicContact CH2-CB 4.09Å; W458-K482 HydrophobicContact CH2-CD 3.59Å; W458-K482 HydrophobicContact CH2-CG 3.87Å; W458-K482 HydrophobicContact CZ2-CB 4.41Å; W458-K482 HydrophobicContact CZ2-CD 3.69Å; W458-K482 HydrophobicContact CZ2-CG 3.78Å; W458-K482 HydrophobicContact CZ3-CB 3.88Å; W458-K482 HydrophobicContact CZ3-CD 4.23Å; W458-K482 HydrophobicContact CZ3-CG 4.15Å
483V94.7Very high93Very high5 Ų539.1 Ų39.13%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-81.9126.8176.4-168.10000108.4V397 E399 L451 R453 S457V397-V483 CarbonylContact O-C 3.57Å; V397-V483 VanDerWaalsContact O-CA 3.26Å; V397-V483 WeakPolarHBondContact O-CA 3.25Å; E399-V483 HydrophobicContact CB-CG1 3.65Å; L451-V483 HydrophobicContact CB-CG1 4.28Å; L451-V483 HydrophobicContact CD1-CG2 4.47Å; R453-V483 HydrophobicContact CB-CB 4.24Å; R453-V483 HydrophobicContact CB-CG1 3.78Å; R453-V483 HydrophobicContact CG-CB 4.23Å; R453-V483 HydrophobicContact CG-CG1 4.23Å; S457-V483 PolarHBondContact O-N 3.05Å
484L92.9Very high93.1Very high49 Ų4938.7 Ų38.726%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-90.5133.8175.8-57.2176.5000109.1E396 V397 P398 E399E396-L484 HydrophobicContact CB-CD1 4.04Å; E396-L484 HydrophobicContact CB-CD2 4.13Å; E396-L484 HydrophobicContact CB-CG 4.09Å; V397-L484 PolarHBondContact O-N 2.75Å; P398-L484 WeakPolarHBondContact CA-O 3.13Å; P398-L484 HydrophobicContact CB-CB 4.46Å; E399-L484 PolarHBondContact N-O 3.37Å; E399-L484 VanDerWaalsContact N-O 3.14Å
485D91.3Very high93.2Very high43 Ų4343.6 Ų43.623%0.2324%0.242CC..PPolyproline II helixtrans-58.1131.7175.7-167.565.2000112.5R453 D521 P522R453-D485 IonicContact CZ-OD1 3.72Å; R453-D485 IonicContact NH1-OD1 3.87Å; R453-D485 PolarHBondContact NH1-OD1 3.22Å; R453-D485 IonicContact NH1-OD2 3.83Å; D485-D521 PolarHBondContact OD1-N 2.98Å; D485-D521 VanDerWaalsContact OD1-N 3.1Å; D485-D521 VanDerWaalsContact OD2-C 3.23Å; D485-D521 PolarHBondContact OD2-N 3.06Å; D485-P522 WeakPolarHBondContact OD2-CA 3.37Å
486V91.8Very high93Very high32 Ų3250 Ų5019%0.19427%0.267CS..  trans-130.4131.4169.7-179.90000107.6P398 E399 D400 D488P398-V486 HydrophobicContact CB-CG2 3.88Å; E399-V486 HydrophobicContact CG-CB 3.9Å; E399-V486 HydrophobicContact CG-CG2 4.1Å; E399-V486 PolarHBondContact OE1-N 3.19Å; E399-V486 VanDerWaalsContact OE1-O 3.08Å; D400-V486 HydrophobicContact CB-CB 4.37Å; D400-V486 HydrophobicContact CB-CG1 4.07Å; D400-V486 HydrophobicContact CB-CG2 4.18Å; V486-D488 PolarHBondContact O-N 3.16Å
487N91.3Very high92.8Very high17 Ų1746 Ų469%0.09124%0.239CC..  trans-68.493.4-173.5-166.799.1000112.4D520 D577 G579 P581 L583N487-D520 VanDerWaalsContact CA-OD2 3.23Å; N487-D520 WeakPolarHBondContact CA-OD2 3.36Å; N487-D520 PolarHBondContact OD1-OD2 3.32Å; N487-D577 PolarHBondContact ND2-OD2 3.44Å; N487-G579 WeakPolarHBondContact OD1-CA 3.21Å; N487-P581 PolarHBondContact ND2-O 2.88Å; N487-L583 WeakPolarHBondContact O-CD1 3.32Å
488D90.8Very high92.5Very high91 Ų9150.1 Ų50.149%0.48726%0.258SS..  trans-120.4-10.6-178.685.6-24.7000113.3V486 D520 L583V486-D488 PolarHBondContact O-N 3.16Å; D488-D520 PolarHBondContact N-OD2 3.13Å; D488-L583 VanDerWaalsContact C-CD1 3.42Å; D488-L583 WeakPolarHBondContact O-CD1 2.9Å
489N91.6Very high92.1Very high45 Ų4547.3 Ų47.324%0.24124%0.239CC..SBendtrans-97.9144.8170.5-63.6-84.2000111.1D518 R519 D520 L583N489-D518 WeakPolarHBondContact CB-OD1 3.45Å; N489-R519 HydrophobicContact CB-CB 4.29Å; N489-D520 VanDerWaalsContact CB-OD1 3.23Å; N489-D520 WeakPolarHBondContact CB-OD1 2.99Å; N489-D520 PolarHBondContact N-OD1 3.22Å; N489-D520 PolarHBondContact N-OD2 2.85Å; N489-D520 PolarHBondContact ND2-OD1 2.85Å; N489-L583 WeakPolarHBondContact O-CD1 3.22Å
490A92Very high91.8Very high40 Ų4051.9 Ų51.933%0.33126%0.258SS..PPolyproline II helixtrans-98.7143.3174.300000109.3E492 L583A490-E492 PolarHBondContact O-N 2.76Å; A490-L583 HydrophobicContact CB-CB 3.91Å
491P93.9Very high91.4Very high0 Ų050.3 Ų50.30%025%0.249CC..PPolyproline II helixtrans-68.4131-17625.8-34.7000110.5A516 D518 F528 I575 D577 S585P491-A516 HydrophobicContact CB-CB 4.38Å; P491-D518 WeakPolarHBondContact CA-OD2 3.23Å; P491-D518 HydrophobicContact CB-CB 4.37Å; P491-D518 WeakPolarHBondContact CB-OD2 3.39Å; P491-D518 VanDerWaalsContact CD-OD2 3.3Å; P491-D518 WeakPolarHBondContact CD-OD2 3.36Å; P491-D518 VanDerWaalsContact N-OD2 3.16Å; P491-F528 HydrophobicContact CB-CD1 3.65Å; P491-F528 HydrophobicContact CB-CE1 3.55Å; P491-F528 HydrophobicContact CB-CZ 4.35Å; P491-F528 HydrophobicContact CG-CD1 4.15Å; P491-F528 HydrophobicContact CG-CE1 4.38Å; P491-I575 HydrophobicContact CB-CG2 3.91Å; P491-I575 HydrophobicContact CG-CB 4.37Å; P491-I575 HydrophobicContact CG-CG2 3.83Å; P491-D577 HydrophobicContact CG-CB 4.06Å; P491-S585 VanDerWaalsContact O-CB 3.31Å; P491-S585 WeakPolarHBondContact O-CB 3.35Å; P491-S585 PolarHBondContact O-OG 3.08Å
492E92.4Very high90.9Very high97 Ų9750.7 Ų50.745%0.45325%0.251SS..EExtended strand (participates in β ladder)trans-111.8163.9178.864.9177.717700111.6A490 A494 A516 I517A490-E492 PolarHBondContact O-N 2.76Å; E492-A494 PolarHBondContact O-N 3.12Å; E492-A516 CarbonylContact O-C 3.53Å; E492-A516 WeakPolarHBondContact O-CA 3.48Å; E492-A516 VanDerWaalsContact O-CB 3.26Å; E492-A516 WeakPolarHBondContact O-CB 3.36Å; E492-I517 HydrophobicContact CG-CG2 3.85Å; E492-I517 PolarHBondContact N-O 2.89Å; E492-I517 PolarHBondContact O-N 2.91Å
493F92.9Very high90.3Very high31 Ų3151.1 Ų51.114%0.13625%0.254CS..EExtended strand (participates in β ladder)trans-63133.1173.6-80.4-45.4000110.5R495 Y497 V514 I573 I575F493-R495 WeakPolarHBondContact CB-O 3.18Å; F493-R495 PolarHBondContact O-N 2.78Å; F493-Y497 HydrophobicContact CB-CD2 4.04Å; F493-Y497 HydrophobicContact CB-CE2 4.04Å; F493-Y497 AromaticContact CD1-CD2 3.78Å; F493-Y497 HydrophobicContact CD1-CD2 3.78Å; F493-Y497 AromaticContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD2-CD2 4.28Å; F493-Y497 HydrophobicContact CE1-CD2 4.27Å; F493-Y497 HydrophobicContact CE1-CE2 4.49Å; F493-Y497 AromaticContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CE2 4.07Å; F493-V514 HydrophobicContact CD1-CB 4.48Å; F493-V514 HydrophobicContact CE1-CB 3.9Å; F493-V514 HydrophobicContact CE1-CG1 4.35Å; F493-V514 HydrophobicContact CE1-CG2 4.11Å; F493-I573 HydrophobicContact CZ-CB 3.92Å; F493-I573 HydrophobicContact CZ-CD1 3.91Å; F493-I573 HydrophobicContact CZ-CG1 4.47Å; F493-I573 HydrophobicContact CZ-CG2 4.19Å; F493-I575 HydrophobicContact CD1-CD1 3.44Å; F493-I575 VanDerWaalsContact CD1-CD1 3.44Å; F493-I575 HydrophobicContact CE1-CD1 3.51Å; F493-I575 HydrophobicContact CE1-CG1 4.25Å; F493-I575 HydrophobicContact CG-CD1 3.97Å; F493-I575 HydrophobicContact CZ-CD1 4.14Å
494A90.2Very high89.6Confident49 Ų4954.9 Ų54.941%0.40527%0.274SS..SBendtrans-58.5-19.4179.400000113.5E492 S515 I517E492-A494 PolarHBondContact O-N 3.12Å; A494-S515 PolarHBondContact N-O 2.98Å; A494-I517 HydrophobicContact CB-CB 4.32Å; A494-I517 HydrophobicContact CB-CG2 4.49Å
495R91.3Very high89.2Confident166 Ų16652.6 Ų52.663%0.62626%0.263SS*.SBendtrans-161.9167.6175.255.1-177.5151.7-167.7-6.9110F493 Y497F493-R495 WeakPolarHBondContact CB-O 3.18Å; F493-R495 PolarHBondContact O-N 2.78Å; R495-Y497 HydrophobicContact CG-CD1 4.33Å; R495-Y497 HydrophobicContact CG-CD2 4.4Å; R495-Y497 HydrophobicContact CG-CE1 3.91Å; R495-Y497 HydrophobicContact CG-CE2 3.96Å; R495-Y497 WeakPolarHBondContact O-CD2 3.22Å; R495-Y497 WeakPolarHBondContact O-CE2 3.3Å; R495-Y497 PolarHBondContact O-N 2.97Å
496F88.9Confident88.8Confident142 Ų14258.3 Ų58.362%0.62329%0.286SS*.  trans-64.2121.2165.2-169.4-104.8000110E498 T590F496-E498 HydrophobicContact CD1-CG 3.78Å; F496-E498 HydrophobicContact CE1-CG 3.42Å; F496-E498 VanDerWaalsContact CE1-CG 3.42Å; F496-E498 WeakPolarHBondContact CE1-OE1 3.21Å; F496-E498 HydrophobicContact CZ-CG 4.46Å; F496-T590 HydrophobicContact CZ-CG2 4.13Å
497Y89.2Confident88.5Confident4 Ų459.7 Ų59.72%0.01630%0.3CS..  trans-100.5126.3178.7-73.5-76.7000110.6F493 R495 Q512 V514 S515 L589 T590F493-Y497 HydrophobicContact CB-CD2 4.04Å; F493-Y497 HydrophobicContact CB-CE2 4.04Å; F493-Y497 AromaticContact CD1-CD2 3.78Å; F493-Y497 HydrophobicContact CD1-CD2 3.78Å; F493-Y497 AromaticContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD2-CD2 4.28Å; F493-Y497 HydrophobicContact CE1-CD2 4.27Å; F493-Y497 HydrophobicContact CE1-CE2 4.49Å; F493-Y497 AromaticContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CE2 4.07Å; R495-Y497 HydrophobicContact CG-CD1 4.33Å; R495-Y497 HydrophobicContact CG-CD2 4.4Å; R495-Y497 HydrophobicContact CG-CE1 3.91Å; R495-Y497 HydrophobicContact CG-CE2 3.96Å; R495-Y497 WeakPolarHBondContact O-CD2 3.22Å; R495-Y497 WeakPolarHBondContact O-CE2 3.3Å; R495-Y497 PolarHBondContact O-N 2.97Å; Y497-Q512 HydrophobicContact CD1-CG 4.31Å; Y497-V514 HydrophobicContact CD1-CG1 4.14Å; Y497-V514 HydrophobicContact CD2-CB 4.21Å; Y497-V514 HydrophobicContact CD2-CG1 4.03Å; Y497-V514 HydrophobicContact CE1-CG1 4.49Å; Y497-V514 HydrophobicContact CE2-CB 4.13Å; Y497-V514 HydrophobicContact CE2-CG1 4.41Å; Y497-V514 HydrophobicContact CG-CG1 3.91Å; Y497-S515 WeakPolarHBondContact CE2-O 3.45Å; Y497-S515 PolarHBondContact OH-N 3.24Å; Y497-S515 VanDerWaalsContact OH-N 3.08Å; Y497-S515 PolarHBondContact OH-O 3.01Å; Y497-S515 PolarHBondContact OH-OG 2.97Å; Y497-L589 VanDerWaalsContact CB-CD1 3.41Å; Y497-L589 WeakPolarHBondContact O-CD1 3.31Å; Y497-T590 PolarHBondContact O-OG1 2.92Å
498E89.1Confident88.1Confident92 Ų9261.4 Ų61.443%0.4332%0.322SS..EExtended strand (participates in β ladder)trans-118.8139.4165.3-54.9-163.2137.300108.8F496 T590F496-E498 HydrophobicContact CD1-CG 3.78Å; F496-E498 HydrophobicContact CE1-CG 3.42Å; F496-E498 VanDerWaalsContact CE1-CG 3.42Å; F496-E498 WeakPolarHBondContact CE1-OE1 3.21Å; F496-E498 HydrophobicContact CZ-CG 4.46Å; E498-T590 WeakPolarHBondContact CA-O 3.41Å; E498-T590 WeakPolarHBondContact CG-OG1 3.26Å
499A88.3Confident88Confident1 Ų160.9 Ų60.91%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-127.2147.3-178.400000110.6I511 Q512 L589 T590 V591 H592A499-I511 HydrophobicContact CB-CG2 3.81Å; A499-Q512 HydrophobicContact CB-CB 3.74Å; A499-Q512 HydrophobicContact CB-CG 4.23Å; A499-L589 HydrophobicContact CB-CD1 4.11Å; A499-L589 HydrophobicContact CB-CD2 4.45Å; A499-L589 HydrophobicContact CB-CG 4.46Å; A499-T590 PolarHBondContact N-O 3.24Å; A499-V591 HydrophobicContact CB-CG1 4.32Å; A499-V591 HydrophobicContact CB-CG2 4.23Å; A499-V591 CarbonylContact O-C 3.56Å; A499-V591 VanDerWaalsContact O-CA 3.29Å; A499-V591 WeakPolarHBondContact O-CA 3.27Å; A499-H592 PolarHBondContact O-N 2.91Å
500F87.5Confident87.8Confident95 Ų9562.5 Ų62.542%0.41733%0.325SS..EExtended strand (participates in β ladder)trans-120.3129.8-178.5-58.5-79.6000110.6I511 H592 V602 C605F500-I511 VanDerWaalsContact O-CG2 3.3Å; F500-I511 WeakPolarHBondContact O-CG2 3.43Å; F500-H592 CarbonylContact C-O 3.57Å; F500-H592 WeakPolarHBondContact CA-O 3.11Å; F500-H592 HydrophobicContact CD1-CB 3.74Å; F500-H592 HydrophobicContact CE1-CB 3.98Å; F500-H592 AromaticContact CE1-CD2 3.91Å; F500-V602 HydrophobicContact CB-CG2 4.3Å; F500-C605 HydrophobicContact CD1-CB 4.47Å; F500-C605 WeakPolarHBondContact CD1-SG 3.21Å; F500-C605 HydrophobicContact CE1-CB 4.5Å
501V88.7Confident87.7Confident3 Ų361.8 Ų61.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-120.8125.7-178.4177.90000109.7A505 I511 F542 T556 F561 V591 H592 V593 C594V501-A505 HydrophobicContact CG1-CB 3.82Å; V501-I511 HydrophobicContact CG2-CB 4.25Å; V501-I511 HydrophobicContact CG2-CD1 3.36Å; V501-I511 HydrophobicContact CG2-CG1 3.75Å; V501-I511 HydrophobicContact CG2-CG2 3.46Å; V501-I511 VanDerWaalsContact CG2-CG2 3.46Å; V501-F542 HydrophobicContact CG2-CE1 4Å; V501-T556 HydrophobicContact CG1-CG2 4.19Å; V501-F561 HydrophobicContact CG1-CD1 4.37Å; V501-F561 HydrophobicContact CG1-CD2 3.64Å; V501-F561 HydrophobicContact CG1-CE2 3.85Å; V501-F561 HydrophobicContact CG1-CG 3.93Å; V501-F561 HydrophobicContact CG1-CZ 4.29Å; V501-V591 HydrophobicContact CB-CG1 4.23Å; V501-V591 HydrophobicContact CG2-CG1 3.31Å; V501-H592 PolarHBondContact N-O 2.74Å; V501-V593 CarbonylContact O-C 3.58Å; V501-V593 VanDerWaalsContact O-CA 3.31Å; V501-V593 WeakPolarHBondContact O-CA 3.12Å; V501-C594 PolarHBondContact O-N 3.49Å
502C84.9Confident87.5Confident7 Ų764.5 Ų64.55%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-71.9146175.2-66.30000112.5N504 A505 C594 C596 G600C502-N504 WeakPolarHBondContact CB-OD1 3.41Å; C502-N504 PolarHBondContact O-N 2.8Å; C502-A505 HydrophobicContact CB-CB 4.5Å; C502-A505 WeakPolarHBondContact O-CB 3.38Å; C502-A505 PolarHBondContact O-N 2.94Å; C502-C594 WeakPolarHBondContact CA-O 3.43Å; C502-C596 WeakPolarHBondContact CA-SG 3.39Å; C502-C596 HydrophobicContact CB-CB 3.58Å; C502-C596 WeakPolarHBondContact CB-SG 3.41Å; C502-C596 WeakPolarHBondContact SG-CB 3.15Å; C502-C596 CovalentContact SG-SG 2.02Å; C502-C596 PolarHBondContact SG-SG 2.9Å; C502-G600 PolarHBondContact SG-O 2.84Å
503E82.6Confident87.5Confident64 Ų6462.4 Ų62.430%0.29932%0.321SS..THydrogen-bonded Turntrans-57.5-35.2174.1-68.2-167131.800112.9A505 F561 Q563 V593 C594E503-A505 VanDerWaalsContact C-N 3.28Å; E503-A505 PolarHBondContact O-N 3.44Å; E503-F561 WeakPolarHBondContact CA-O 3.39Å; E503-F561 WeakPolarHBondContact CB-O 3.44Å; E503-F561 WeakPolarHBondContact CG-O 3.27Å; E503-F561 PolarHBondContact O-N 3.02Å; E503-Q563 HydrophobicContact CG-CB 4.41Å; E503-Q563 WeakPolarHBondContact OE1-CB 3.17Å; E503-Q563 PolarHBondContact OE1-N 2.79Å; E503-V593 HydrophobicContact CG-CG1 3.94Å; E503-C594 PolarHBondContact N-O 3.04Å; E503-C594 VanDerWaalsContact N-O 3.1Å
504N80.4Confident87.5Confident84 Ų8460.9 Ų60.945%0.44932%0.315SS..THydrogen-bonded Turntrans-84.59.2176.868-3.9000113.9C502 K506 D597C502-N504 WeakPolarHBondContact CB-OD1 3.41Å; C502-N504 PolarHBondContact O-N 2.8Å; N504-K506 PolarHBondContact O-N 3.42Å; N504-D597 PolarHBondContact ND2-O 2.78Å
505A83.3Confident87.7Confident2 Ų260.1 Ų60.12%0.01731%0.307CS..PPolyproline II helixtrans-58.4134.9-178.800000111.9V501 C502 E503 T556 S559 F561V501-A505 HydrophobicContact CG1-CB 3.82Å; C502-A505 HydrophobicContact CB-CB 4.5Å; C502-A505 WeakPolarHBondContact O-CB 3.38Å; C502-A505 PolarHBondContact O-N 2.94Å; E503-A505 VanDerWaalsContact C-N 3.28Å; E503-A505 PolarHBondContact O-N 3.44Å; A505-T556 HydrophobicContact CB-CG2 4.26Å; A505-S559 WeakPolarHBondContact O-CA 3.4Å; A505-S559 WeakPolarHBondContact O-CB 3.45Å; A505-F561 HydrophobicContact CB-CD2 4.27Å; A505-F561 HydrophobicContact CB-CE2 4.49Å
506K83.7Confident87.7Confident163 Ų16352.9 Ų52.971%0.70928%0.282SS*.PPolyproline II helixtrans-83.5156.6178.3-64.4177.6-174.7170.30109.7N504 Q509 T556N504-K506 PolarHBondContact O-N 3.42Å; K506-Q509 WeakPolarHBondContact O-CB 3.26Å; K506-Q509 PolarHBondContact O-N 3.32Å; K506-T556 PolarHBondContact O-OG1 2.9Å
507A85.4Confident87.9Confident60 Ų6050.2 Ų50.250%0.49627%0.273SS..THydrogen-bonded Turntrans-66.8138171.900000110.4
508G83.6Confident88.1Confident53 Ų5350.5 Ų50.555%0.54628%0.275SS..THydrogen-bonded Turntrans82.910.8-177.500000114.8T556G508-T556 WeakPolarHBondContact CA-O 3.48Å; G508-T556 PolarHBondContact N-O 3.2Å; G508-T556 PolarHBondContact N-OG1 2.61Å
509Q87.4Confident88.2Confident81 Ų8154.3 Ų54.338%0.37929%0.285SS..  trans-78133.8178.1-177.9173.6-12.200110.5K506 L555 T556K506-Q509 WeakPolarHBondContact O-CB 3.26Å; K506-Q509 PolarHBondContact O-N 3.32Å; Q509-L555 VanDerWaalsContact O-CA 3.3Å; Q509-L555 WeakPolarHBondContact O-CA 2.9Å; Q509-T556 PolarHBondContact N-OG1 2.84Å; Q509-T556 PolarHBondContact O-N 2.83Å; Q509-T556 PolarHBondContact O-OG1 3.35Å
510L89.1Confident88.3Confident79 Ų7954.3 Ų54.341%0.41429%0.285SS..EExtended strand (participates in β ladder)trans-72.4124.3173.4178.665.2000109.7W553 L555L510-W553 HydrophobicContact CD1-CB 3.54Å; L510-W553 HydrophobicContact CD1-CD2 4.3Å; L510-W553 HydrophobicContact CD1-CG 3.54Å; L510-W553 HydrophobicContact CD2-CG 4.5Å; L510-L555 HydrophobicContact CB-CD2 4.12Å; L510-L555 HydrophobicContact CD1-CD2 4.37Å
511I88.9Confident88.3Confident25 Ų2554.1 Ų54.113%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-103.6-48.6-179.1-51.2161.9000110.1A499 F500 V501 F542 I554 T556A499-I511 HydrophobicContact CB-CG2 3.81Å; F500-I511 VanDerWaalsContact O-CG2 3.3Å; F500-I511 WeakPolarHBondContact O-CG2 3.43Å; V501-I511 HydrophobicContact CG2-CB 4.25Å; V501-I511 HydrophobicContact CG2-CD1 3.36Å; V501-I511 HydrophobicContact CG2-CG1 3.75Å; V501-I511 HydrophobicContact CG2-CG2 3.46Å; V501-I511 VanDerWaalsContact CG2-CG2 3.46Å; I511-F542 HydrophobicContact CD1-CD1 3.6Å; I511-F542 HydrophobicContact CD1-CE1 3.59Å; I511-I554 PolarHBondContact N-O 2.83Å; I511-T556 HydrophobicContact CD1-CG2 3.54Å; I511-T556 HydrophobicContact CG1-CG2 3.85Å
512Q90.1Very high88.1Confident57 Ų5755.9 Ų55.927%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-149.7146.4-175.2-171.161.615.300110.2Y497 A499 V514 I554Y497-Q512 HydrophobicContact CD1-CG 4.31Å; A499-Q512 HydrophobicContact CB-CB 3.74Å; A499-Q512 HydrophobicContact CB-CG 4.23Å; Q512-V514 HydrophobicContact CG-CG1 4.32Å; Q512-I554 PolarHBondContact O-N 2.85Å
513T92.5Very high87.9Confident52 Ų5264.5 Ų64.532%0.31934%0.34SS..EExtended strand (participates in β ladder)trans-104.1124.5166.3-550000108T551 A552 W553T513-T551 HydrophobicContact CG2-CG2 4.34Å; T513-A552 WeakPolarHBondContact CA-O 3.25Å; T513-W553 VanDerWaalsContact OG1-CD1 3.31Å
514V92.9Very high87.8Confident0 Ų070 Ų700%037%0.365CS..EExtended strand (participates in β ladder)trans-105.9149.9177.9-610000110.1F493 Y497 Q512 Y530 T551 A552 I554 L589F493-V514 HydrophobicContact CD1-CB 4.48Å; F493-V514 HydrophobicContact CE1-CB 3.9Å; F493-V514 HydrophobicContact CE1-CG1 4.35Å; F493-V514 HydrophobicContact CE1-CG2 4.11Å; Y497-V514 HydrophobicContact CD1-CG1 4.14Å; Y497-V514 HydrophobicContact CD2-CB 4.21Å; Y497-V514 HydrophobicContact CD2-CG1 4.03Å; Y497-V514 HydrophobicContact CE1-CG1 4.49Å; Y497-V514 HydrophobicContact CE2-CB 4.13Å; Y497-V514 HydrophobicContact CE2-CG1 4.41Å; Y497-V514 HydrophobicContact CG-CG1 3.91Å; Q512-V514 HydrophobicContact CG-CG1 4.32Å; V514-Y530 HydrophobicContact CG2-CD1 4.41Å; V514-Y530 HydrophobicContact CG2-CE1 4.4Å; V514-T551 VanDerWaalsContact O-CA 3.3Å; V514-T551 WeakPolarHBondContact O-CA 3.23Å; V514-T551 WeakPolarHBondContact O-CB 3.47Å; V514-A552 HydrophobicContact CG2-CB 3.88Å; V514-A552 PolarHBondContact N-O 3.08Å; V514-A552 PolarHBondContact O-N 3Å; V514-I554 HydrophobicContact CG1-CG1 4.12Å; V514-I554 HydrophobicContact CG2-CD1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.41Å; V514-L589 HydrophobicContact CG1-CD1 4.42Å
515S93.7Very high87.9Confident33 Ų3367.6 Ų67.623%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-140.7155.4174.973.80000110.2A494 Y497 Y530A494-S515 PolarHBondContact N-O 2.98Å; Y497-S515 WeakPolarHBondContact CE2-O 3.45Å; Y497-S515 PolarHBondContact OH-N 3.24Å; Y497-S515 VanDerWaalsContact OH-N 3.08Å; Y497-S515 PolarHBondContact OH-O 3.01Å; Y497-S515 PolarHBondContact OH-OG 2.97Å; S515-Y530 WeakPolarHBondContact CA-OH 3.32Å
516A92.1Very high88.1Confident13 Ų1370.1 Ų70.111%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-112.5162.2179.400000111.3P491 E492 F528 Y530 I575P491-A516 HydrophobicContact CB-CB 4.38Å; E492-A516 CarbonylContact O-C 3.53Å; E492-A516 WeakPolarHBondContact O-CA 3.48Å; E492-A516 VanDerWaalsContact O-CB 3.26Å; E492-A516 WeakPolarHBondContact O-CB 3.36Å; A516-F528 HydrophobicContact CB-CD2 3.79Å; A516-F528 HydrophobicContact CB-CE2 4.01Å; A516-F528 HydrophobicContact CB-CG 4.08Å; A516-F528 HydrophobicContact CB-CZ 4.49Å; A516-F528 WeakPolarHBondContact O-CE2 3.36Å; A516-Y530 HydrophobicContact CB-CE1 4.2Å; A516-Y530 WeakPolarHBondContact CB-OH 3.32Å; A516-Y530 PolarHBondContact N-OH 3.12Å; A516-I575 HydrophobicContact CB-CD1 4.16Å; A516-I575 HydrophobicContact CB-CG2 3.68Å
517I92.1Very high88.3Confident86 Ų8666.6 Ų66.644%0.44136%0.358SS..EExtended strand (participates in β ladder)trans-129.9141.3168.7-167.6166.1000107.6E492 A494E492-I517 HydrophobicContact CG-CG2 3.85Å; E492-I517 PolarHBondContact N-O 2.89Å; E492-I517 PolarHBondContact O-N 2.91Å; A494-I517 HydrophobicContact CB-CB 4.32Å; A494-I517 HydrophobicContact CB-CG2 4.49Å
518D93.1Very high88.7Confident11 Ų1164.2 Ų64.26%0.05934%0.337CS..  trans-120.7149.4170-147.1-40.1000108.8N489 P491 D520 Q526 F528N489-D518 WeakPolarHBondContact CB-OD1 3.45Å; P491-D518 WeakPolarHBondContact CA-OD2 3.23Å; P491-D518 HydrophobicContact CB-CB 4.37Å; P491-D518 WeakPolarHBondContact CB-OD2 3.39Å; P491-D518 VanDerWaalsContact CD-OD2 3.3Å; P491-D518 WeakPolarHBondContact CD-OD2 3.36Å; P491-D518 VanDerWaalsContact N-OD2 3.16Å; D518-D520 PolarHBondContact OD1-N 3.05Å; D518-Q526 HydrophobicContact CB-CG 4.5Å; D518-Q526 PolarHBondContact O-NE2 2.78Å; D518-F528 HydrophobicContact CB-CE1 3.76Å; D518-F528 HydrophobicContact CB-CZ 3.79Å
519R91.1Very high89Confident171 Ų17167 Ų6765%0.64533%0.331SS*.SBendtrans-83.2-28.5176.7-64.4-170.8-178.6-1752.5111.4E454 N489E454-R519 HydrophobicContact CG-CB 3.73Å; N489-R519 HydrophobicContact CB-CB 4.29Å
520D92Very high89.3Confident1 Ų163.7 Ų63.71%0.00532%0.316CS..  trans-62.6139.6175.1-60.1-11.4000109.9N487 D488 N489 D518 P522 Q526N487-D520 VanDerWaalsContact CA-OD2 3.23Å; N487-D520 WeakPolarHBondContact CA-OD2 3.36Å; N487-D520 PolarHBondContact OD1-OD2 3.32Å; D488-D520 PolarHBondContact N-OD2 3.13Å; N489-D520 VanDerWaalsContact CB-OD1 3.23Å; N489-D520 WeakPolarHBondContact CB-OD1 2.99Å; N489-D520 PolarHBondContact N-OD1 3.22Å; N489-D520 PolarHBondContact N-OD2 2.85Å; N489-D520 PolarHBondContact ND2-OD1 2.85Å; D518-D520 PolarHBondContact OD1-N 3.05Å; D520-P522 WeakPolarHBondContact O-CD 3.38Å; D520-Q526 PolarHBondContact O-NE2 2.99Å
521D87.2Confident89.4Confident91 Ų9162.3 Ų62.349%0.48731%0.312SS..  trans-124.679.1-179.7167.455.7000110.6R453 D485R453-D521 IonicContact CZ-OD2 3.48Å; R453-D521 VanDerWaalsContact NH1-CA 3.31Å; R453-D521 PolarHBondContact NH1-O 2.83Å; R453-D521 IonicContact NH1-OD2 2.71Å; R453-D521 IonicContact NH2-OD2 3.48Å; R453-D521 PolarHBondContact NH2-OD2 3.34Å; D485-D521 PolarHBondContact OD1-N 2.98Å; D485-D521 VanDerWaalsContact OD1-N 3.1Å; D485-D521 VanDerWaalsContact OD2-C 3.23Å; D485-D521 PolarHBondContact OD2-N 3.06Å
522P84.9Confident89.5Confident41 Ų4162.5 Ų62.527%0.26631%0.314SS..  trans-72.2149-176.728.4-35.6000111.4D485 D520 E524 G525 Q526D485-P522 WeakPolarHBondContact OD2-CA 3.37Å; D520-P522 WeakPolarHBondContact O-CD 3.38Å; P522-E524 PolarHBondContact O-N 3.25Å; P522-E524 VanDerWaalsContact O-N 3.07Å; P522-G525 PolarHBondContact O-N 3.39Å; P522-Q526 HydrophobicContact CG-CG 4.38Å
523Q79.4Confident89.5Confident188 Ų18860 Ų6088%0.87930%0.303SS*.THydrogen-bonded Turntrans-58.1-28.5-174.2-65.4-169.72.200115.2G525Q523-G525 VanDerWaalsContact C-N 3.34Å
524E81.8Confident89.1Confident178 Ų17862.9 Ų62.983%0.83232%0.322SS*.THydrogen-bonded Turntrans-90.21.2179.1-63.5-169.4169.100113.2P522P522-E524 PolarHBondContact O-N 3.25Å; P522-E524 VanDerWaalsContact O-N 3.07Å
525G82.3Confident88.7Confident34 Ų3471.8 Ų71.835%0.35136%0.364SS..  trans84.6158.3-173.700000113.1P522 Q523P522-G525 PolarHBondContact O-N 3.39Å; Q523-G525 VanDerWaalsContact C-N 3.34Å
526Q86.1Confident88.3Confident55 Ų5570.6 Ų70.626%0.25736%0.356SS..  trans-71.9136.6-178.6-63.6175-1.100111.1D518 D520 P522 F528 N550D518-Q526 HydrophobicContact CB-CG 4.5Å; D518-Q526 PolarHBondContact O-NE2 2.78Å; D520-Q526 PolarHBondContact O-NE2 2.99Å; P522-Q526 HydrophobicContact CG-CG 4.38Å; Q526-F528 HydrophobicContact CB-CE1 4.17Å; Q526-F528 HydrophobicContact CB-CE2 4.3Å; Q526-F528 HydrophobicContact CB-CZ 3.76Å; Q526-F528 HydrophobicContact CG-CZ 4.33Å; Q526-F528 VanDerWaalsContact OE1-CZ 3.29Å; Q526-N550 PolarHBondContact O-ND2 2.71Å
527H89.6Confident87.7Confident90 Ų9072.6 Ų72.642%0.41737%0.373SS..  trans-133.6123.8174.9-75.5-66.2000110.6N550 D577 N578H527-N550 WeakPolarHBondContact CA-OD1 3.28Å; H527-D577 CarbonylContact O-C 3.38Å; H527-N578 HydrophobicContact CB-CB 3.91Å; H527-N578 PolarHBondContact O-N 3.04Å; H527-N578 VanDerWaalsContact O-N 3.17Å
528F92.1Very high87.2Confident10 Ų1075.5 Ų75.54%0.04439%0.389CS..  trans-114.3138.5-176.1-53-51.2000112.1P491 A516 D518 Q526 Y530 N550 I575 S576P491-F528 HydrophobicContact CB-CD1 3.65Å; P491-F528 HydrophobicContact CB-CE1 3.55Å; P491-F528 HydrophobicContact CB-CZ 4.35Å; P491-F528 HydrophobicContact CG-CD1 4.15Å; P491-F528 HydrophobicContact CG-CE1 4.38Å; A516-F528 HydrophobicContact CB-CD2 3.79Å; A516-F528 HydrophobicContact CB-CE2 4.01Å; A516-F528 HydrophobicContact CB-CG 4.08Å; A516-F528 HydrophobicContact CB-CZ 4.49Å; A516-F528 WeakPolarHBondContact O-CE2 3.36Å; D518-F528 HydrophobicContact CB-CE1 3.76Å; D518-F528 HydrophobicContact CB-CZ 3.79Å; Q526-F528 HydrophobicContact CB-CE1 4.17Å; Q526-F528 HydrophobicContact CB-CE2 4.3Å; Q526-F528 HydrophobicContact CB-CZ 3.76Å; Q526-F528 HydrophobicContact CG-CZ 4.33Å; Q526-F528 VanDerWaalsContact OE1-CZ 3.29Å; F528-Y530 HydrophobicContact CB-CE2 3.87Å; F528-N550 HydrophobicContact CD2-CB 3.95Å; F528-N550 PolarHBondContact N-OD1 2.9Å; F528-I575 HydrophobicContact CB-CG2 4.39Å; F528-S576 WeakPolarHBondContact CA-O 3.3Å
529Y91.6Very high86.8Confident110 Ų11076.2 Ų76.243%0.43139%0.393SS..EExtended strand (participates in β ladder)trans-109.1131.7170.8-56-78.9000110.1D546 S576 N578 M582Y529-D546 WeakPolarHBondContact CA-OD2 3.5Å; Y529-S576 PolarHBondContact N-O 3.4Å; Y529-S576 PolarHBondContact O-N 2.84Å; Y529-S576 PolarHBondContact O-OG 2.85Å; Y529-N578 HydrophobicContact CE2-CB 3.99Å; Y529-N578 PolarHBondContact OH-OD1 3Å; Y529-M582 HydrophobicContact CD2-CE 4.12Å
530Y92.8Very high86.4Confident12 Ų1272 Ų725%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-110.9132.2-179-61.6-92.1000111.2V514 S515 A516 F528 L544 D546 N550 A552 I573 I575V514-Y530 HydrophobicContact CG2-CD1 4.41Å; V514-Y530 HydrophobicContact CG2-CE1 4.4Å; S515-Y530 WeakPolarHBondContact CA-OH 3.32Å; A516-Y530 HydrophobicContact CB-CE1 4.2Å; A516-Y530 WeakPolarHBondContact CB-OH 3.32Å; A516-Y530 PolarHBondContact N-OH 3.12Å; F528-Y530 HydrophobicContact CB-CE2 3.87Å; Y530-L544 WeakPolarHBondContact O-CD2 3.24Å; Y530-D546 PolarHBondContact N-OD2 3.42Å; Y530-N550 WeakPolarHBondContact CE2-O 3.43Å; Y530-N550 PolarHBondContact OH-O 2.86Å; Y530-A552 HydrophobicContact CD1-CB 4.01Å; Y530-A552 HydrophobicContact CD2-CB 3.73Å; Y530-A552 HydrophobicContact CE2-CB 4.37Å; Y530-A552 HydrophobicContact CG-CB 3.51Å; Y530-I573 HydrophobicContact CD1-CG2 4.31Å; Y530-I575 HydrophobicContact CD1-CG1 4.04Å; Y530-I575 HydrophobicContact CD1-CG2 4.22Å; Y530-I575 HydrophobicContact CE1-CD1 4.34Å; Y530-I575 HydrophobicContact CE1-CG1 4.06Å; Y530-I575 HydrophobicContact CE1-CG2 3.89Å
531S91.7Very high86.2Confident50 Ų5072.7 Ų72.735%0.3539%0.391SS..EExtended strand (participates in β ladder)trans-142158.717362.80000111.1I573 L574S531-I573 CarbonylContact O-C 3.56Å; S531-L574 PolarHBondContact N-O 3.22Å; S531-L574 PolarHBondContact O-N 3Å
532L90.9Very high86.4Confident29 Ų2968.4 Ų68.415%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-71.5136.5168.2-67.7178.1000108.4A536 N539 L544 L571 I573L532-A536 WeakPolarHBondContact CD1-O 3.4Å; L532-N539 HydrophobicContact CD1-CB 4.48Å; L532-L544 HydrophobicContact CD2-CB 3.95Å; L532-L544 HydrophobicContact CD2-CD1 4.44Å; L532-L544 HydrophobicContact CG-CB 3.96Å; L532-L571 HydrophobicContact CD2-CD1 3.69Å; L532-L571 HydrophobicContact CD2-CD2 3.99Å; L532-L571 HydrophobicContact CD2-CG 3.85Å; L532-I573 HydrophobicContact CD2-CG1 4.34Å
533A89.1Confident86.6Confident5 Ų568.4 Ų68.44%0.04137%0.368CS..  trans-54.9151.7176.500000110.3E535 A536 A537 P572 T586A533-E535 PolarHBondContact O-N 3.28Å; A533-A536 CarbonylContact O-C 3.58Å; A533-A536 WeakPolarHBondContact O-CA 3.25Å; A533-A536 PolarHBondContact O-N 2.79Å; A533-A537 PolarHBondContact O-N 2.78Å; A533-P572 HydrophobicContact CB-CB 3.8Å; A533-P572 HydrophobicContact CB-CG 4.02Å; A533-P572 WeakPolarHBondContact CB-O 3.42Å; A533-P572 PolarHBondContact N-O 2.98Å; A533-T586 HydrophobicContact CB-CG2 4.2Å
534P85.2Confident87.2Confident112 Ų11261 Ų6173%0.72733%0.334SS*.G310 helixtrans-51.6-34.1-176.6-28.735000114A536P534-A536 VanDerWaalsContact C-N 3.3Å; P534-A536 PolarHBondContact O-N 3.24Å
535E85.1Confident87.7Confident188 Ų18859.7 Ų59.788%0.87932%0.321SS*.G310 helixtrans-66.1-29.1176.1-59.2178.2-174.600113.5A533A533-E535 PolarHBondContact O-N 3.28Å
536A83.4Confident88.1Confident8 Ų860 Ų607%0.06632%0.315CS..G310 helixtrans-109.66.4-179.100000113.5L532 A533 P534 N538 N539 L571 P572L532-A536 WeakPolarHBondContact CD1-O 3.4Å; A533-A536 CarbonylContact O-C 3.58Å; A533-A536 WeakPolarHBondContact O-CA 3.25Å; A533-A536 PolarHBondContact O-N 2.79Å; P534-A536 VanDerWaalsContact C-N 3.3Å; P534-A536 PolarHBondContact O-N 3.24Å; A536-N538 PolarHBondContact O-N 3.11Å; A536-N538 VanDerWaalsContact O-N 3.16Å; A536-N539 WeakPolarHBondContact O-CB 3.2Å; A536-N539 PolarHBondContact O-N 2.71Å; A536-L571 HydrophobicContact CB-CD1 4.4Å; A536-P572 HydrophobicContact CB-CG 3.72Å
537A79.8Confident88.2Confident55 Ų5558.8 Ų58.846%0.45531%0.31SS..THydrogen-bonded Turntrans-57.3-34.3-177.400000113.2A533A533-A537 PolarHBondContact O-N 2.78Å
538N81.3Confident88Confident147 Ų14763.2 Ų63.279%0.78633%0.331SS*.THydrogen-bonded Turntrans-101.329.8175.4-80.6-22000113.3A536 P540A536-N538 PolarHBondContact O-N 3.11Å; A536-N538 VanDerWaalsContact O-N 3.16Å; N538-P540 WeakPolarHBondContact O-CD 3.47Å
539N84.5Confident87.7Confident25 Ų2567.4 Ų67.413%0.13435%0.354CS..  trans-56.2124.1179.3-166.6-55.3000110.6L532 A536 N541 F542 R557 L571L532-N539 HydrophobicContact CD1-CB 4.48Å; A536-N539 WeakPolarHBondContact O-CB 3.2Å; A536-N539 PolarHBondContact O-N 2.71Å; N539-N541 VanDerWaalsContact C-N 3.31Å; N539-N541 WeakPolarHBondContact OD1-CA 3.25Å; N539-N541 WeakPolarHBondContact OD1-CB 3.26Å; N539-N541 PolarHBondContact OD1-N 3.38Å; N539-F542 PolarHBondContact OD1-N 2.85Å; N539-R557 VanDerWaalsContact O-CD 3.29Å; N539-R557 WeakPolarHBondContact O-CD 3.37Å; N539-R557 PolarHBondContact O-NH1 2.94Å; N539-L571 HydrophobicContact CB-CD1 4.46Å; N539-L571 WeakPolarHBondContact ND2-CD1 3.48Å
540P84.1Confident87.6Confident83 Ų8364.3 Ų64.354%0.53935%0.345SS..SBendtrans-79.8-14.9-178.330.9-34.6000113N538N538-P540 WeakPolarHBondContact O-CD 3.47Å
541N87.6Confident87.6Confident15 Ų1565.3 Ų65.38%0.0835%0.352CS..SBendtrans-100.8-40.2-170.7-59.8-21.4000112.2N539 R557 R558 F561 F569N539-N541 VanDerWaalsContact C-N 3.31Å; N539-N541 WeakPolarHBondContact OD1-CA 3.25Å; N539-N541 WeakPolarHBondContact OD1-CB 3.26Å; N539-N541 PolarHBondContact OD1-N 3.38Å; N541-R557 PolarHBondContact O-N 2.83Å; N541-R558 VanDerWaalsContact OD1-CD 3.3Å; N541-R558 WeakPolarHBondContact OD1-CD 3.38Å; N541-R558 PolarHBondContact OD1-NH1 3.22Å; N541-F561 HydrophobicContact CB-CE1 4.12Å; N541-F569 WeakPolarHBondContact ND2-CE1 2.98Å
542F90.4Very high87.7Confident1 Ų162.9 Ų62.90%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-129.4152.1-175.4-53.7-68.9000112V501 I511 N539 L555 F561 F569 L571 V591V501-F542 HydrophobicContact CG2-CE1 4Å; I511-F542 HydrophobicContact CD1-CD1 3.6Å; I511-F542 HydrophobicContact CD1-CE1 3.59Å; N539-F542 PolarHBondContact OD1-N 2.85Å; F542-L555 WeakPolarHBondContact CA-O 3.38Å; F542-F561 AromaticContact CE1-CE1 3.86Å; F542-F561 HydrophobicContact CE1-CE1 3.86Å; F542-F561 AromaticContact CE1-CZ 3.85Å; F542-F561 HydrophobicContact CE1-CZ 3.85Å; F542-F561 AromaticContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CZ 4.2Å; F542-F569 HydrophobicContact CE2-CB 3.61Å; F542-F569 HydrophobicContact CE2-CD1 4.16Å; F542-F569 AromaticContact CE2-CD2 3.88Å; F542-F569 HydrophobicContact CE2-CD2 3.88Å; F542-F569 AromaticContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CZ-CB 4.32Å; F542-F569 AromaticContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CG 4.15Å; F542-L571 HydrophobicContact CB-CD1 4.22Å; F542-L571 HydrophobicContact CB-CD2 3.89Å; F542-L571 HydrophobicContact CG-CD2 4.43Å; F542-V591 HydrophobicContact CE1-CG1 3.97Å; F542-V591 HydrophobicContact CE2-CB 4.36Å; F542-V591 HydrophobicContact CE2-CG1 4.44Å; F542-V591 HydrophobicContact CE2-CG2 4.41Å; F542-V591 HydrophobicContact CZ-CB 4.08Å; F542-V591 HydrophobicContact CZ-CG1 3.69Å; F542-V591 HydrophobicContact CZ-CG2 4.38Å
543T90.6Very high87.8Confident41 Ų4165.9 Ų65.925%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-131.6149.6172.144.50000109.3L555 R557T543-L555 PolarHBondContact N-O 2.9Å; T543-L555 PolarHBondContact O-N 3.36Å; T543-L555 PolarHBondContact OG1-O 2.96Å; T543-R557 HydrophobicContact CG2-CB 3.87Å; T543-R557 HydrophobicContact CG2-CG 3.63Å
544L91.7Very high88Confident34 Ų3465.7 Ų65.718%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-109.5139.6175.9-176.4150000109.4Y530 L532 A552 I554 I573Y530-L544 WeakPolarHBondContact O-CD2 3.24Å; L532-L544 HydrophobicContact CD2-CB 3.95Å; L532-L544 HydrophobicContact CD2-CD1 4.44Å; L532-L544 HydrophobicContact CG-CB 3.96Å; L544-A552 HydrophobicContact CD1-CB 4.28Å; L544-A552 HydrophobicContact CD2-CB 4.11Å; L544-A552 HydrophobicContact CG-CB 4.17Å; L544-I554 HydrophobicContact CB-CD1 4.23Å; L544-I554 HydrophobicContact CD1-CD1 3.59Å; L544-I554 HydrophobicContact CG-CD1 3.88Å; L544-I573 HydrophobicContact CD1-CB 4.47Å; L544-I573 HydrophobicContact CD1-CD1 4.2Å; L544-I573 HydrophobicContact CD1-CG1 4.04Å; L544-I573 HydrophobicContact CD1-CG2 3.66Å
545R91.2Very high88.3Confident149 Ų14961.8 Ų61.856%0.56232%0.316SS*.EExtended strand (participates in β ladder)trans-123.3120.9168.2178.4179.3174.6-171.9-3.5108.9A552 W553 L555R545-A552 WeakPolarHBondContact O-CA 3.46Å; R545-W553 PolarHBondContact N-O 2.9Å; R545-W553 PolarHBondContact O-N 2.93Å; R545-L555 HydrophobicContact CB-CD1 3.94Å
546D90.6Very high88.5Confident40 Ų4052.9 Ų52.921%0.21427%0.274CS..EExtended strand (participates in β ladder)trans-73129.5170.6-165.4-25.7000109.5Y529 Y530 Q548Y529-D546 WeakPolarHBondContact CA-OD2 3.5Å; Y530-D546 PolarHBondContact N-OD2 3.42Å; D546-Q548 PolarHBondContact OD1-N 3.11Å
547N89Confident88.7Confident30 Ų3058.6 Ų58.616%0.1629%0.294CS..  trans-90.3-6-178.7-64.4-27.2000112.9D549 T551 W553N547-D549 WeakPolarHBondContact CB-OD1 3.27Å; N547-D549 PolarHBondContact O-N 3.01Å; N547-T551 WeakPolarHBondContact CB-O 3.11Å; N547-T551 PolarHBondContact N-O 2.81Å; N547-T551 VanDerWaalsContact N-O 3.08Å; N547-T551 PolarHBondContact ND2-OG1 2.86Å; N547-W553 VanDerWaalsContact ND2-CE2 3.33Å; N547-W553 PolarHBondContact ND2-NE1 2.8Å
548Q85.1Confident89Confident183 Ų18360.5 Ų60.586%0.85529%0.29SS*.SBendtrans6117.3-177.1-52.7-179.5-20.700114.3D546D546-Q548 PolarHBondContact OD1-N 3.11Å
549D87Confident89.1Confident99 Ų9957.1 Ų57.153%0.52928%0.278SS..SBendtrans-120.929.2178.866.6-3.3000111.5N547 T551N547-D549 WeakPolarHBondContact CB-OD1 3.27Å; N547-D549 PolarHBondContact O-N 3.01Å; D549-T551 PolarHBondContact O-N 3.47Å; D549-T551 WeakPolarHBondContact OD1-CB 3.22Å; D549-T551 PolarHBondContact OD1-N 2.96Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å
550N89.3Confident88.8Confident45 Ų4557.8 Ų57.824%0.24129%0.291CS..SBendtrans61.413.8-170.4-66.8-14.4000114.7Q526 H527 F528 Y530Q526-N550 PolarHBondContact O-ND2 2.71Å; H527-N550 WeakPolarHBondContact CA-OD1 3.28Å; F528-N550 HydrophobicContact CD2-CB 3.95Å; F528-N550 PolarHBondContact N-OD1 2.9Å; Y530-N550 WeakPolarHBondContact CE2-O 3.43Å; Y530-N550 PolarHBondContact OH-O 2.86Å
551T91.9Very high88.7Confident32 Ų3254.1 Ų54.120%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-121159.5169.877.10000111.9T513 V514 N547 D549T513-T551 HydrophobicContact CG2-CG2 4.34Å; V514-T551 VanDerWaalsContact O-CA 3.3Å; V514-T551 WeakPolarHBondContact O-CA 3.23Å; V514-T551 WeakPolarHBondContact O-CB 3.47Å; N547-T551 WeakPolarHBondContact CB-O 3.11Å; N547-T551 PolarHBondContact N-O 2.81Å; N547-T551 VanDerWaalsContact N-O 3.08Å; N547-T551 PolarHBondContact ND2-OG1 2.86Å; D549-T551 PolarHBondContact O-N 3.47Å; D549-T551 WeakPolarHBondContact OD1-CB 3.22Å; D549-T551 PolarHBondContact OD1-N 2.96Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å
552A93Very high88.3Confident0 Ų060.8 Ų60.80%029%0.29CS..EExtended strand (participates in β ladder)trans-131141.2171.600000111.8T513 V514 Y530 L544 R545T513-A552 WeakPolarHBondContact CA-O 3.25Å; V514-A552 HydrophobicContact CG2-CB 3.88Å; V514-A552 PolarHBondContact N-O 3.08Å; V514-A552 PolarHBondContact O-N 3Å; Y530-A552 HydrophobicContact CD1-CB 4.01Å; Y530-A552 HydrophobicContact CD2-CB 3.73Å; Y530-A552 HydrophobicContact CE2-CB 4.37Å; Y530-A552 HydrophobicContact CG-CB 3.51Å; L544-A552 HydrophobicContact CD1-CB 4.28Å; L544-A552 HydrophobicContact CD2-CB 4.11Å; L544-A552 HydrophobicContact CG-CB 4.17Å; R545-A552 WeakPolarHBondContact O-CA 3.46Å
553W93.6Very high87.5Confident92 Ų9262.1 Ų62.135%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-91.3127.1174.5-74.9-14.4000111.3L510 T513 R545 N547 L555L510-W553 HydrophobicContact CD1-CB 3.54Å; L510-W553 HydrophobicContact CD1-CD2 4.3Å; L510-W553 HydrophobicContact CD1-CG 3.54Å; L510-W553 HydrophobicContact CD2-CG 4.5Å; T513-W553 VanDerWaalsContact OG1-CD1 3.31Å; R545-W553 PolarHBondContact N-O 2.9Å; R545-W553 PolarHBondContact O-N 2.93Å; N547-W553 VanDerWaalsContact ND2-CE2 3.33Å; N547-W553 PolarHBondContact ND2-NE1 2.8Å; W553-L555 HydrophobicContact CB-CG 4.5Å
554I92.8Very high86.4Confident0 Ų069 Ų690%033%0.326CS..EExtended strand (participates in β ladder)trans-98.5116.9174.2-50.2-59.3000108.6I511 Q512 V514 L544 L571 I573 L589I511-I554 PolarHBondContact N-O 2.83Å; Q512-I554 PolarHBondContact O-N 2.85Å; V514-I554 HydrophobicContact CG1-CG1 4.12Å; V514-I554 HydrophobicContact CG2-CD1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.41Å; L544-I554 HydrophobicContact CB-CD1 4.23Å; L544-I554 HydrophobicContact CD1-CD1 3.59Å; L544-I554 HydrophobicContact CG-CD1 3.88Å; I554-L571 HydrophobicContact CG2-CD2 3.88Å; I554-I573 HydrophobicContact CD1-CD1 3.65Å; I554-I573 HydrophobicContact CG1-CD1 4.44Å; I554-L589 HydrophobicContact CB-CD2 4.19Å; I554-L589 HydrophobicContact CD1-CD2 4.43Å; I554-L589 HydrophobicContact CG1-CD2 3.77Å; I554-L589 HydrophobicContact CG2-CD2 3.82Å
555L91.6Very high85.8Confident30 Ų3073.4 Ų73.416%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-116.8144.4-171-62.2157.8000110.5Q509 L510 F542 T543 R545 W553Q509-L555 VanDerWaalsContact O-CA 3.3Å; Q509-L555 WeakPolarHBondContact O-CA 2.9Å; L510-L555 HydrophobicContact CB-CD2 4.12Å; L510-L555 HydrophobicContact CD1-CD2 4.37Å; F542-L555 WeakPolarHBondContact CA-O 3.38Å; T543-L555 PolarHBondContact N-O 2.9Å; T543-L555 PolarHBondContact O-N 3.36Å; T543-L555 PolarHBondContact OG1-O 2.96Å; R545-L555 HydrophobicContact CB-CD1 3.94Å; W553-L555 HydrophobicContact CB-CG 4.5Å
556T90.2Very high85.2Confident1 Ų170.8 Ų70.81%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-66.9132.8167.851.30000110.4V501 A505 K506 G508 Q509 I511 F561V501-T556 HydrophobicContact CG1-CG2 4.19Å; A505-T556 HydrophobicContact CB-CG2 4.26Å; K506-T556 PolarHBondContact O-OG1 2.9Å; G508-T556 WeakPolarHBondContact CA-O 3.48Å; G508-T556 PolarHBondContact N-O 3.2Å; G508-T556 PolarHBondContact N-OG1 2.61Å; Q509-T556 PolarHBondContact N-OG1 2.84Å; Q509-T556 PolarHBondContact O-N 2.83Å; Q509-T556 PolarHBondContact O-OG1 3.35Å; I511-T556 HydrophobicContact CD1-CG2 3.54Å; I511-T556 HydrophobicContact CG1-CG2 3.85Å; T556-F561 HydrophobicContact CG2-CE2 3.68Å; T556-F561 HydrophobicContact CG2-CZ 4Å
557R88.2Confident84.8Confident129 Ų12972.6 Ų72.649%0.48735%0.349SS..SBendtrans-89.3-31173.5-162.3-179.8-173.4159.11.2112.5N539 N541 T543N539-R557 VanDerWaalsContact O-CD 3.29Å; N539-R557 WeakPolarHBondContact O-CD 3.37Å; N539-R557 PolarHBondContact O-NH1 2.94Å; N541-R557 PolarHBondContact O-N 2.83Å; T543-R557 HydrophobicContact CG2-CB 3.87Å; T543-R557 HydrophobicContact CG2-CG 3.63Å
558R86.2Confident84.7Confident94 Ų9472.2 Ų72.236%0.35535%0.348SS..SBendtrans-124.7168.8-179.272.6-179.8-121.2-159.46.5111.3N541 G560 F561N541-R558 VanDerWaalsContact OD1-CD 3.3Å; N541-R558 WeakPolarHBondContact OD1-CD 3.38Å; N541-R558 PolarHBondContact OD1-NH1 3.22Å; R558-G560 PolarHBondContact NH2-O 3.25Å; R558-F561 HydrophobicContact CG-CE2 4.43Å; R558-F561 HydrophobicContact CG-CZ 4.09Å; R558-F561 VanDerWaalsContact O-CE2 3.25Å; R558-F561 WeakPolarHBondContact O-CE2 3.31Å
559S81.8Confident84.9Confident76 Ų7664.4 Ų64.453%0.53131%0.311SS..SBendtrans-108.9171.716954.90000110.6A505A505-S559 WeakPolarHBondContact O-CA 3.4Å; A505-S559 WeakPolarHBondContact O-CB 3.45Å
560G78.8Confident85Confident40 Ų4067.1 Ų67.141%0.41232%0.315SS..  trans74.655.7176.600000112.8R558R558-G560 PolarHBondContact NH2-O 3.25Å
561F82.6Confident85.1Confident5 Ų565 Ų652%0.02230%0.304CS..  trans-74.7133.9167.9-65.8-90.8000108.2V501 E503 A505 N541 F542 T556 R558 F569 V593V501-F561 HydrophobicContact CG1-CD1 4.37Å; V501-F561 HydrophobicContact CG1-CD2 3.64Å; V501-F561 HydrophobicContact CG1-CE2 3.85Å; V501-F561 HydrophobicContact CG1-CG 3.93Å; V501-F561 HydrophobicContact CG1-CZ 4.29Å; E503-F561 WeakPolarHBondContact CA-O 3.39Å; E503-F561 WeakPolarHBondContact CB-O 3.44Å; E503-F561 WeakPolarHBondContact CG-O 3.27Å; E503-F561 PolarHBondContact O-N 3.02Å; A505-F561 HydrophobicContact CB-CD2 4.27Å; A505-F561 HydrophobicContact CB-CE2 4.49Å; N541-F561 HydrophobicContact CB-CE1 4.12Å; F542-F561 AromaticContact CE1-CE1 3.86Å; F542-F561 HydrophobicContact CE1-CE1 3.86Å; F542-F561 AromaticContact CE1-CZ 3.85Å; F542-F561 HydrophobicContact CE1-CZ 3.85Å; F542-F561 AromaticContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CZ 4.2Å; T556-F561 HydrophobicContact CG2-CE2 3.68Å; T556-F561 HydrophobicContact CG2-CZ 4Å; R558-F561 HydrophobicContact CG-CE2 4.43Å; R558-F561 HydrophobicContact CG-CZ 4.09Å; R558-F561 VanDerWaalsContact O-CE2 3.25Å; R558-F561 WeakPolarHBondContact O-CE2 3.31Å; F561-F569 HydrophobicContact CD1-CE2 4.14Å; F561-F569 HydrophobicContact CE1-CE2 4.48Å; F561-V593 HydrophobicContact CB-CG1 3.87Å; F561-V593 HydrophobicContact CB-CG2 4.28Å; F561-V593 HydrophobicContact CD1-CG2 4.38Å
562R78.3Confident85.1Confident156 Ų15664.6 Ų64.659%0.58930%0.302SS*.  trans-121.5115.8179.3-72.9173.8175.2-179.20.4109.2H564 E565 Q566R562-H564 PolarHBondContact O-N 3.04Å; R562-E565 HydrophobicContact CB-CB 4.25Å; R562-E565 HydrophobicContact CB-CG 4.05Å; R562-E565 VanDerWaalsContact CD-CD 3.5Å; R562-E565 WeakPolarHBondContact CD-OE1 3.42Å; R562-E565 IonicContact CZ-OE1 3.72Å; R562-E565 IonicContact NE-OE1 3.82Å; R562-E565 IonicContact NH1-OE1 2.83Å; R562-E565 PolarHBondContact NH1-OE1 3.25Å; R562-E565 PolarHBondContact O-N 3.39Å; R562-E565 VanDerWaalsContact O-N 3.07Å; R562-Q566 PolarHBondContact O-N 2.76Å
563Q73.2Confident85Confident28 Ų2864.6 Ų64.613%0.13130%0.302CS..THydrogen-bonded Turntrans-58.8-33.4-177.1-170.1-179.618.900112.1E503 N567 V593 C605E503-Q563 HydrophobicContact CG-CB 4.41Å; E503-Q563 WeakPolarHBondContact OE1-CB 3.17Å; E503-Q563 PolarHBondContact OE1-N 2.79Å; Q563-N567 HydrophobicContact CG-CB 4.48Å; Q563-V593 HydrophobicContact CB-CG1 4.19Å; Q563-V593 WeakPolarHBondContact CG-O 3.38Å; Q563-C605 PolarHBondContact NE2-O 2.9Å
564H69.1Low85Confident187 Ų18762.1 Ų62.187%0.86630%0.295SS*.THydrogen-bonded Turntrans-72.9-23179-68.978.4000114.3R562R562-H564 PolarHBondContact O-N 3.04Å
565E78.7Confident85Confident125 Ų12562.1 Ų62.158%0.58430%0.295SS*.THydrogen-bonded Turntrans-86.3-48.6179.3-70.9177.3-173.200110.9R562R562-E565 HydrophobicContact CB-CB 4.25Å; R562-E565 HydrophobicContact CB-CG 4.05Å; R562-E565 VanDerWaalsContact CD-CD 3.5Å; R562-E565 WeakPolarHBondContact CD-OE1 3.42Å; R562-E565 IonicContact CZ-OE1 3.72Å; R562-E565 IonicContact NE-OE1 3.82Å; R562-E565 IonicContact NH1-OE1 2.83Å; R562-E565 PolarHBondContact NH1-OE1 3.25Å; R562-E565 PolarHBondContact O-N 3.39Å; R562-E565 VanDerWaalsContact O-N 3.07Å
566Q79Confident85.1Confident94 Ų9461.2 Ų61.244%0.43929%0.291SS..  trans-152.9116.9175.8-175.6165.8-1.900109.4R562 T568 F569R562-Q566 PolarHBondContact O-N 2.76Å; Q566-T568 WeakPolarHBondContact CG-O 3.44Å; Q566-T568 PolarHBondContact NE2-O 3.23Å; Q566-F569 HydrophobicContact CB-CE1 4.22Å; Q566-F569 HydrophobicContact CB-CE2 4.39Å; Q566-F569 HydrophobicContact CB-CZ 3.82Å; Q566-F569 HydrophobicContact CG-CD1 4.21Å; Q566-F569 HydrophobicContact CG-CE1 3.74Å; Q566-F569 HydrophobicContact CG-CE2 4.14Å; Q566-F569 HydrophobicContact CG-CZ 3.71Å; Q566-F569 VanDerWaalsContact NE2-CD1 3.25Å
567N81.3Confident85.2Confident78 Ų7861.4 Ų61.442%0.41729%0.292SS..SBendtrans-90-24-175.762.5-12.3000113.8Q563 H592 V593Q563-N567 HydrophobicContact CG-CB 4.48Å; N567-H592 WeakPolarHBondContact O-CA 3.22Å; N567-V593 PolarHBondContact O-N 3.29Å
568T87.3Confident85.2Confident23 Ų2359.4 Ų59.414%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-136134.3-179.2-53.40000110.7Q566 Y570 V591 H592Q566-T568 WeakPolarHBondContact CG-O 3.44Å; Q566-T568 PolarHBondContact NE2-O 3.23Å; T568-Y570 HydrophobicContact CG2-CE1 4.32Å; T568-Y570 HydrophobicContact CG2-CE2 4.22Å; T568-V591 CarbonylContact C-O 3.57Å; T568-V591 WeakPolarHBondContact CA-O 3.35Å; T568-H592 PolarHBondContact OG1-CE1 3.13Å; T568-H592 PolarHBondContact OG1-ND1 2.93Å; T568-H592 VanDerWaalsContact OG1-ND1 3.1Å
569F88.1Confident85.1Confident19 Ų1955.8 Ų55.88%0.08328%0.283CS..EExtended strand (participates in β ladder)trans-116.2141.9171.2-63-87.6000110.1N541 F542 F561 Q566 V591 V593N541-F569 WeakPolarHBondContact ND2-CE1 2.98Å; F542-F569 HydrophobicContact CE2-CB 3.61Å; F542-F569 HydrophobicContact CE2-CD1 4.16Å; F542-F569 AromaticContact CE2-CD2 3.88Å; F542-F569 HydrophobicContact CE2-CD2 3.88Å; F542-F569 AromaticContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CZ-CB 4.32Å; F542-F569 AromaticContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CG 4.15Å; F561-F569 HydrophobicContact CD1-CE2 4.14Å; F561-F569 HydrophobicContact CE1-CE2 4.48Å; Q566-F569 HydrophobicContact CB-CE1 4.22Å; Q566-F569 HydrophobicContact CB-CE2 4.39Å; Q566-F569 HydrophobicContact CB-CZ 3.82Å; Q566-F569 HydrophobicContact CG-CD1 4.21Å; Q566-F569 HydrophobicContact CG-CE1 3.74Å; Q566-F569 HydrophobicContact CG-CE2 4.14Å; Q566-F569 HydrophobicContact CG-CZ 3.71Å; Q566-F569 VanDerWaalsContact NE2-CD1 3.25Å; F569-V591 HydrophobicContact CB-CB 4.25Å; F569-V591 PolarHBondContact N-O 3.21Å; F569-V591 PolarHBondContact O-N 2.88Å; F569-V593 HydrophobicContact CD2-CG2 4.03Å; F569-V593 HydrophobicContact CE2-CG2 3.57Å
570Y90.1Very high85.1Confident156 Ų15663.3 Ų63.361%0.61230%0.3SS*.EExtended strand (participates in β ladder)trans-108.8117.5172.1-58.9-82.1000107.8T568 P572 T590T568-Y570 HydrophobicContact CG2-CE1 4.32Å; T568-Y570 HydrophobicContact CG2-CE2 4.22Å; Y570-P572 WeakPolarHBondContact O-CD 3.36Å; Y570-T590 HydrophobicContact CD1-CG2 3.78Å; Y570-T590 HydrophobicContact CE1-CG2 3.71Å
571L90.6Very high85.5Confident0 Ų065.7 Ų65.70%031%0.308CS..EExtended strand (participates in β ladder)trans-108.8101.6-179.6-172.567.1000108.9L532 A536 N539 F542 I554 I573 L589L532-L571 HydrophobicContact CD2-CD1 3.69Å; L532-L571 HydrophobicContact CD2-CD2 3.99Å; L532-L571 HydrophobicContact CD2-CG 3.85Å; A536-L571 HydrophobicContact CB-CD1 4.4Å; N539-L571 HydrophobicContact CB-CD1 4.46Å; N539-L571 WeakPolarHBondContact ND2-CD1 3.48Å; F542-L571 HydrophobicContact CB-CD1 4.22Å; F542-L571 HydrophobicContact CB-CD2 3.89Å; F542-L571 HydrophobicContact CG-CD2 4.43Å; I554-L571 HydrophobicContact CG2-CD2 3.88Å; L571-I573 HydrophobicContact CD2-CD1 4.37Å; L571-I573 HydrophobicContact CD2-CG1 4.44Å; L571-I573 HydrophobicContact CG-CG1 4.28Å; L571-I573 PolarHBondContact O-N 3.46Å; L571-L589 HydrophobicContact CB-CB 4.3Å; L571-L589 HydrophobicContact CD2-CD2 4.33Å; L571-L589 PolarHBondContact N-O 2.85Å; L571-L589 PolarHBondContact O-N 2.78Å
572P92.3Very high85.9Confident24 Ų2470.7 Ų70.716%0.15633%0.333CS..EExtended strand (participates in β ladder)trans-73.1122.2173.929.6-32.9000109.9A533 A536 Y570 T586 T588A533-P572 HydrophobicContact CB-CB 3.8Å; A533-P572 HydrophobicContact CB-CG 4.02Å; A533-P572 WeakPolarHBondContact CB-O 3.42Å; A533-P572 PolarHBondContact N-O 2.98Å; A536-P572 HydrophobicContact CB-CG 3.72Å; Y570-P572 WeakPolarHBondContact O-CD 3.36Å; P572-T586 HydrophobicContact CB-CG2 3.85Å; P572-T588 HydrophobicContact CB-CG2 4.26Å
573I91.9Very high86.6Confident0 Ų065.5 Ų65.50%032%0.317CS..EExtended strand (participates in β ladder)trans-114.6122.4-179.2-64.3166.2000106.8F493 Y530 S531 L532 L544 I554 L571 I575 T586 G587 L589F493-I573 HydrophobicContact CZ-CB 3.92Å; F493-I573 HydrophobicContact CZ-CD1 3.91Å; F493-I573 HydrophobicContact CZ-CG1 4.47Å; F493-I573 HydrophobicContact CZ-CG2 4.19Å; Y530-I573 HydrophobicContact CD1-CG2 4.31Å; S531-I573 CarbonylContact O-C 3.56Å; L532-I573 HydrophobicContact CD2-CG1 4.34Å; L544-I573 HydrophobicContact CD1-CB 4.47Å; L544-I573 HydrophobicContact CD1-CD1 4.2Å; L544-I573 HydrophobicContact CD1-CG1 4.04Å; L544-I573 HydrophobicContact CD1-CG2 3.66Å; I554-I573 HydrophobicContact CD1-CD1 3.65Å; I554-I573 HydrophobicContact CG1-CD1 4.44Å; L571-I573 HydrophobicContact CD2-CD1 4.37Å; L571-I573 HydrophobicContact CD2-CG1 4.44Å; L571-I573 HydrophobicContact CG-CG1 4.28Å; L571-I573 PolarHBondContact O-N 3.46Å; I573-I575 HydrophobicContact CG2-CG1 4.32Å; I573-T586 CarbonylContact O-C 3.56Å; I573-T586 WeakPolarHBondContact O-CA 3.47Å; I573-G587 PolarHBondContact N-O 3.36Å; I573-G587 PolarHBondContact O-N 2.88Å; I573-L589 HydrophobicContact CD1-CB 3.88Å; I573-L589 HydrophobicContact CD1-CD2 4.19Å
574L93.3Very high87.5Confident39 Ų3967.4 Ų67.420%0.20433%0.333CS..EExtended strand (participates in β ladder)trans-85.4123.6172.8-176.772.7000108.2S531S531-L574 PolarHBondContact N-O 3.22Å; S531-L574 PolarHBondContact O-N 3Å
575I93.6Very high88.7Confident0 Ų060 Ų600%030%0.302CS..EExtended strand (participates in β ladder)trans-111.7130.3176.4-46.5170.4000106P491 F493 A516 F528 Y530 I573 S584 S585P491-I575 HydrophobicContact CB-CG2 3.91Å; P491-I575 HydrophobicContact CG-CB 4.37Å; P491-I575 HydrophobicContact CG-CG2 3.83Å; F493-I575 HydrophobicContact CD1-CD1 3.44Å; F493-I575 VanDerWaalsContact CD1-CD1 3.44Å; F493-I575 HydrophobicContact CE1-CD1 3.51Å; F493-I575 HydrophobicContact CE1-CG1 4.25Å; F493-I575 HydrophobicContact CG-CD1 3.97Å; F493-I575 HydrophobicContact CZ-CD1 4.14Å; A516-I575 HydrophobicContact CB-CD1 4.16Å; A516-I575 HydrophobicContact CB-CG2 3.68Å; F528-I575 HydrophobicContact CB-CG2 4.39Å; Y530-I575 HydrophobicContact CD1-CG1 4.04Å; Y530-I575 HydrophobicContact CD1-CG2 4.22Å; Y530-I575 HydrophobicContact CE1-CD1 4.34Å; Y530-I575 HydrophobicContact CE1-CG1 4.06Å; Y530-I575 HydrophobicContact CE1-CG2 3.89Å; I573-I575 HydrophobicContact CG2-CG1 4.32Å; I575-S584 CarbonylContact O-C 3.52Å; I575-S584 WeakPolarHBondContact O-CA 3.39Å; I575-S584 WeakPolarHBondContact O-CB 3.48Å; I575-S585 PolarHBondContact N-O 2.88Å; I575-S585 PolarHBondContact O-N 2.72Å
576S92.3Very high89.3Confident12 Ų1257.9 Ų57.98%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-133.6141.6178.2570000110.9F528 Y529 M582 L583F528-S576 WeakPolarHBondContact CA-O 3.3Å; Y529-S576 PolarHBondContact N-O 3.4Å; Y529-S576 PolarHBondContact O-N 2.84Å; Y529-S576 PolarHBondContact O-OG 2.85Å; S576-M582 WeakPolarHBondContact OG-CE 3.39Å; S576-L583 VanDerWaalsContact CA-O 3.31Å; S576-L583 WeakPolarHBondContact CA-O 3.15Å
577D92.5Very high89.9Confident4 Ų454 Ų542%0.02128%0.283CS..  trans-79.1-173.617961.740.5000111.6N487 P491 H527 G579 M582 L583N487-D577 PolarHBondContact ND2-OD2 3.44Å; P491-D577 HydrophobicContact CG-CB 4.06Å; H527-D577 CarbonylContact O-C 3.38Å; D577-G579 PolarHBondContact OD1-N 3.44Å; D577-M582 WeakPolarHBondContact O-CE 3.35Å; D577-M582 WeakPolarHBondContact O-CG 3.46Å; D577-M582 VanDerWaalsContact OD1-CA 3.28Å; D577-M582 WeakPolarHBondContact OD1-CA 3.15Å; D577-L583 PolarHBondContact N-O 2.87Å; D577-L583 PolarHBondContact OD1-N 2.84Å; D577-L583 WeakPolarHBondContact OD2-CA 3.49Å; D577-L583 VanDerWaalsContact OD2-CB 3.22Å; D577-L583 WeakPolarHBondContact OD2-CB 3.48Å; D577-L583 PolarHBondContact OD2-N 2.87Å
578N88.1Confident90.4Very high88 Ų8853.8 Ų53.847%0.47129%0.285SS..SBendtrans-112.718.8170.9-167.441.9000111.6H527 Y529H527-N578 HydrophobicContact CB-CB 3.91Å; H527-N578 PolarHBondContact O-N 3.04Å; H527-N578 VanDerWaalsContact O-N 3.17Å; Y529-N578 HydrophobicContact CE2-CB 3.99Å; Y529-N578 PolarHBondContact OH-OD1 3Å
579G84.1Confident90.6Very high18 Ų1852.7 Ų52.719%0.18628%0.278CS..  trans-72.6172.3-177.300000113.2N487 D577 P581 M582N487-G579 WeakPolarHBondContact OD1-CA 3.21Å; D577-G579 PolarHBondContact OD1-N 3.44Å; G579-P581 CarbonylContact C-O 3.58Å; G579-P581 CarbonylContact O-C 3.58Å; G579-M582 WeakPolarHBondContact O-CA 3.49Å; G579-M582 PolarHBondContact O-N 2.75Å
580R81.7Confident90.7Very high234 Ų23452.3 Ų52.388%0.88328%0.277SS*.SBendtrans-128.9109.5174.1-66-171.8-177.9-152.22.7109.2
581P88.2Confident90.7Very high90 Ų9044.9 Ų44.958%0.58425%0.248SC*.SBendcis-66.1153.8-3.531.1-35.5000112.1N487 G579 L583N487-P581 PolarHBondContact ND2-O 2.88Å; G579-P581 CarbonylContact C-O 3.58Å; G579-P581 CarbonylContact O-C 3.58Å; P581-L583 HydrophobicContact CG-CD2 4.49Å; P581-L583 PolarHBondContact O-N 2.87Å
582M89.3Confident90.6Very high109 Ų10947.1 Ų47.154%0.53726%0.258SS..PPolyproline II helixtrans-72.5120.9176.1179.4178.6-179.800109.3Y529 S576 D577 G579Y529-M582 HydrophobicContact CD2-CE 4.12Å; S576-M582 WeakPolarHBondContact OG-CE 3.39Å; D577-M582 WeakPolarHBondContact O-CE 3.35Å; D577-M582 WeakPolarHBondContact O-CG 3.46Å; D577-M582 VanDerWaalsContact OD1-CA 3.28Å; D577-M582 WeakPolarHBondContact OD1-CA 3.15Å; G579-M582 WeakPolarHBondContact O-CA 3.49Å; G579-M582 PolarHBondContact O-N 2.75Å
583L92.9Very high90.3Very high48 Ų4846 Ų4625%0.25125%0.251SS..PPolyproline II helixtrans-102.4153.9176.7-57.1175.5000110.4N487 D488 N489 A490 S576 D577 P581N487-L583 WeakPolarHBondContact O-CD1 3.32Å; D488-L583 VanDerWaalsContact C-CD1 3.42Å; D488-L583 WeakPolarHBondContact O-CD1 2.9Å; N489-L583 WeakPolarHBondContact O-CD1 3.22Å; A490-L583 HydrophobicContact CB-CB 3.91Å; S576-L583 VanDerWaalsContact CA-O 3.31Å; S576-L583 WeakPolarHBondContact CA-O 3.15Å; D577-L583 PolarHBondContact N-O 2.87Å; D577-L583 PolarHBondContact OD1-N 2.84Å; D577-L583 WeakPolarHBondContact OD2-CA 3.49Å; D577-L583 VanDerWaalsContact OD2-CB 3.22Å; D577-L583 WeakPolarHBondContact OD2-CB 3.48Å; D577-L583 PolarHBondContact OD2-N 2.87Å; P581-L583 HydrophobicContact CG-CD2 4.49Å; P581-L583 PolarHBondContact O-N 2.87Å
584S93.1Very high89.9Confident68 Ų6846 Ų4648%0.47625%0.251SS..EExtended strand (participates in β ladder)trans-146.1140.9-178.164.30000111.6I575I575-S584 CarbonylContact O-C 3.52Å; I575-S584 WeakPolarHBondContact O-CA 3.39Å; I575-S584 WeakPolarHBondContact O-CB 3.48Å
585S93.9Very high89.2Confident30 Ų3045.9 Ų45.921%0.2125%0.253CS..EExtended strand (participates in β ladder)trans-124.6154175.993.70000110.1P491 I575P491-S585 VanDerWaalsContact O-CB 3.31Å; P491-S585 WeakPolarHBondContact O-CB 3.35Å; P491-S585 PolarHBondContact O-OG 3.08Å; I575-S585 PolarHBondContact N-O 2.88Å; I575-S585 PolarHBondContact O-N 2.72Å
586T92.6Very high88.4Confident82 Ų8247.1 Ų47.150%0.50326%0.262SS..EExtended strand (participates in β ladder)trans-108.7109.7176-57.80000109.7A533 P572 I573A533-T586 HydrophobicContact CB-CG2 4.2Å; P572-T586 HydrophobicContact CB-CG2 3.85Å; I573-T586 CarbonylContact O-C 3.56Å; I573-T586 WeakPolarHBondContact O-CA 3.47Å
587G90.5Very high87.4Confident12 Ų1249.1 Ų49.112%0.12427%0.272CS..EExtended strand (participates in β ladder)trans-92.4146.2171.100000111.2I573I573-G587 PolarHBondContact N-O 3.36Å; I573-G587 PolarHBondContact O-N 2.88Å
588T91.4Very high86.2Confident74 Ų7456.9 Ų56.945%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-107.6122.8176.453.70000110.9P572P572-T588 HydrophobicContact CB-CG2 4.26Å
589L91.8Very high85Confident0 Ų059.8 Ų59.80%033%0.329CS..EExtended strand (participates in β ladder)trans-92123.8172.7173.271.2000109.5Y497 A499 V514 I554 L571 I573 V591Y497-L589 VanDerWaalsContact CB-CD1 3.41Å; Y497-L589 WeakPolarHBondContact O-CD1 3.31Å; A499-L589 HydrophobicContact CB-CD1 4.11Å; A499-L589 HydrophobicContact CB-CD2 4.45Å; A499-L589 HydrophobicContact CB-CG 4.46Å; V514-L589 HydrophobicContact CG1-CD1 4.42Å; I554-L589 HydrophobicContact CB-CD2 4.19Å; I554-L589 HydrophobicContact CD1-CD2 4.43Å; I554-L589 HydrophobicContact CG1-CD2 3.77Å; I554-L589 HydrophobicContact CG2-CD2 3.82Å; L571-L589 HydrophobicContact CB-CB 4.3Å; L571-L589 HydrophobicContact CD2-CD2 4.33Å; L571-L589 PolarHBondContact N-O 2.85Å; L571-L589 PolarHBondContact O-N 2.78Å; I573-L589 HydrophobicContact CD1-CB 3.88Å; I573-L589 HydrophobicContact CD1-CD2 4.19Å; L589-V591 HydrophobicContact CD2-CG2 4.06Å; L589-V591 HydrophobicContact CG-CG2 4.01Å
590T91.1Very high84Confident11 Ų1160.4 Ų60.47%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-86.7127.9172.454.70000109.6F496 Y497 E498 A499 Y570F496-T590 HydrophobicContact CZ-CG2 4.13Å; Y497-T590 PolarHBondContact O-OG1 2.92Å; E498-T590 WeakPolarHBondContact CA-O 3.41Å; E498-T590 WeakPolarHBondContact CG-OG1 3.26Å; A499-T590 PolarHBondContact N-O 3.24Å; Y570-T590 HydrophobicContact CD1-CG2 3.78Å; Y570-T590 HydrophobicContact CE1-CG2 3.71Å
591V89.6Confident83.2Confident0 Ų055.4 Ų55.40%032%0.323CS..EExtended strand (participates in β ladder)trans-120.5114.7179-169.60000109.2A499 V501 F542 T568 F569 L589A499-V591 HydrophobicContact CB-CG1 4.32Å; A499-V591 HydrophobicContact CB-CG2 4.23Å; A499-V591 CarbonylContact O-C 3.56Å; A499-V591 VanDerWaalsContact O-CA 3.29Å; A499-V591 WeakPolarHBondContact O-CA 3.27Å; V501-V591 HydrophobicContact CB-CG1 4.23Å; V501-V591 HydrophobicContact CG2-CG1 3.31Å; F542-V591 HydrophobicContact CE1-CG1 3.97Å; F542-V591 HydrophobicContact CE2-CB 4.36Å; F542-V591 HydrophobicContact CE2-CG1 4.44Å; F542-V591 HydrophobicContact CE2-CG2 4.41Å; F542-V591 HydrophobicContact CZ-CB 4.08Å; F542-V591 HydrophobicContact CZ-CG1 3.69Å; F542-V591 HydrophobicContact CZ-CG2 4.38Å; T568-V591 CarbonylContact C-O 3.57Å; T568-V591 WeakPolarHBondContact CA-O 3.35Å; F569-V591 HydrophobicContact CB-CB 4.25Å; F569-V591 PolarHBondContact N-O 3.21Å; F569-V591 PolarHBondContact O-N 2.88Å; L589-V591 HydrophobicContact CD2-CG2 4.06Å; L589-V591 HydrophobicContact CG-CG2 4.01Å
592H88.1Confident82.3Confident46 Ų4654.6 Ų54.621%0.21332%0.317CS..EExtended strand (participates in β ladder)trans-95.9132.4178.5-66.3-66000111.1A499 F500 V501 N567 T568A499-H592 PolarHBondContact O-N 2.91Å; F500-H592 CarbonylContact C-O 3.57Å; F500-H592 WeakPolarHBondContact CA-O 3.11Å; F500-H592 HydrophobicContact CD1-CB 3.74Å; F500-H592 HydrophobicContact CE1-CB 3.98Å; F500-H592 AromaticContact CE1-CD2 3.91Å; V501-H592 PolarHBondContact N-O 2.74Å; N567-H592 WeakPolarHBondContact O-CA 3.22Å; T568-H592 PolarHBondContact OG1-CE1 3.13Å; T568-H592 PolarHBondContact OG1-ND1 2.93Å; T568-H592 VanDerWaalsContact OG1-ND1 3.1Å
593V87.1Confident81.3Confident1 Ų156 Ų561%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-88.1125.1173.2-176.30000109.2V501 E503 F561 Q563 N567 F569V501-V593 CarbonylContact O-C 3.58Å; V501-V593 VanDerWaalsContact O-CA 3.31Å; V501-V593 WeakPolarHBondContact O-CA 3.12Å; E503-V593 HydrophobicContact CG-CG1 3.94Å; F561-V593 HydrophobicContact CB-CG1 3.87Å; F561-V593 HydrophobicContact CB-CG2 4.28Å; F561-V593 HydrophobicContact CD1-CG2 4.38Å; Q563-V593 HydrophobicContact CB-CG1 4.19Å; Q563-V593 WeakPolarHBondContact CG-O 3.38Å; N567-V593 PolarHBondContact O-N 3.29Å; F569-V593 HydrophobicContact CD2-CG2 4.03Å; F569-V593 HydrophobicContact CE2-CG2 3.57Å
594C82.8Confident80Confident0 Ų055.6 Ų55.60%033%0.325CS..EExtended strand (participates in β ladder)trans-125.5153.1-177-47.30000111.8V501 C502 E503 V602 C605V501-C594 PolarHBondContact O-N 3.49Å; C502-C594 WeakPolarHBondContact CA-O 3.43Å; E503-C594 PolarHBondContact N-O 3.04Å; E503-C594 VanDerWaalsContact N-O 3.1Å; C594-V602 HydrophobicContact CB-CG1 3.63Å; C594-C605 HydrophobicContact CB-CB 3.92Å; C594-C605 WeakPolarHBondContact CB-SG 3.34Å; C594-C605 WeakPolarHBondContact SG-CA 3.3Å; C594-C605 WeakPolarHBondContact SG-CB 3.34Å; C594-C605 CovalentContact SG-SG 2.02Å; C594-C605 PolarHBondContact SG-SG 2.88Å
595S78.4Confident78.7Confident36 Ų3654.5 Ų54.525%0.25232%0.316SS..EExtended strand (participates in β ladder)trans-73.2139166.359.60000109.8M603 S604S595-M603 PolarHBondContact O-N 3.48Å; S595-S604 PolarHBondContact N-O 2.78Å; S595-S604 PolarHBondContact O-N 2.87Å; S595-S604 WeakPolarHBondContact OG-CB 3.43Å; S595-S604 PolarHBondContact OG-N 3.28Å; S595-S604 PolarHBondContact OG-O 2.96Å
596C76.3Confident77Confident27 Ų2757.8 Ų57.818%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-136.4157.1-175.3-60.70000111.6C502 M601C502-C596 WeakPolarHBondContact CA-SG 3.39Å; C502-C596 HydrophobicContact CB-CB 3.58Å; C502-C596 WeakPolarHBondContact CB-SG 3.41Å; C502-C596 WeakPolarHBondContact SG-CB 3.15Å; C502-C596 CovalentContact SG-SG 2.02Å; C502-C596 PolarHBondContact SG-SG 2.9Å; C596-M601 CarbonylContact C-O 3.6Å; C596-M601 WeakPolarHBondContact CA-O 3.33Å; C596-M601 VanDerWaalsContact CB-O 3.27Å; C596-M601 WeakPolarHBondContact CB-O 3.16Å
597D72Confident75Confident54 Ų5456.6 Ų56.629%0.28933%0.334SS..  trans-77.2177.8174.468.415.5000112.6N504 D599 G600 M601 M603N504-D597 PolarHBondContact ND2-O 2.78Å; D597-D599 PolarHBondContact O-N 3.41Å; D597-D599 WeakPolarHBondContact OD1-CA 3.32Å; D597-D599 PolarHBondContact OD1-N 2.88Å; D597-G600 PolarHBondContact O-N 2.82Å; D597-G600 PolarHBondContact OD1-N 2.81Å; D597-M601 PolarHBondContact N-O 3.26Å; D597-M601 PolarHBondContact OD1-N 3.44Å; D597-M603 HydrophobicContact CB-CG 4.13Å; D597-M603 HydrophobicContact CB-SD 3.81Å
598D67.1Low72.9Confident167 Ų16764 Ų6489%0.89337%0.365SS*.THydrogen-bonded Turntrans-65-19.8-179.7-70.9-36.1000113.2G600D598-G600 VanDerWaalsContact C-N 3.35Å
599D63.8Low70.3Confident148 Ų14864 Ų6479%0.79137%0.373SS*.THydrogen-bonded Turntrans-89.6-0.9175.6-70.1-40.8000112.5D597D597-D599 PolarHBondContact O-N 3.41Å; D597-D599 WeakPolarHBondContact OD1-CA 3.32Å; D597-D599 PolarHBondContact OD1-N 2.88Å
600G62.3Low67.8Low31 Ų3174.3 Ų74.332%0.3241%0.413SS..  trans80.617.1177.300000114C502 D597 D598C502-G600 PolarHBondContact SG-O 2.84Å; D597-G600 PolarHBondContact O-N 2.82Å; D597-G600 PolarHBondContact OD1-N 2.81Å; D598-G600 VanDerWaalsContact C-N 3.35Å
601M65.3Low65.5Low130 Ų13080.1 Ų80.164%0.6445%0.449SS*.  trans-88.5138176-63.4-71.9-86.900110.4C596 D597 M603C596-M601 CarbonylContact C-O 3.6Å; C596-M601 WeakPolarHBondContact CA-O 3.33Å; C596-M601 VanDerWaalsContact CB-O 3.27Å; C596-M601 WeakPolarHBondContact CB-O 3.16Å; D597-M601 PolarHBondContact N-O 3.26Å; D597-M601 PolarHBondContact OD1-N 3.44Å; M601-M603 PolarHBondContact O-N 2.66Å
602V69.9Low63.2Low73 Ų7386.6 Ų86.644%0.44248%0.483SS..EExtended strand (participates in β ladder)trans-70.8121.6-174.3178.60000111F500 C594 C605F500-V602 HydrophobicContact CB-CG2 4.3Å; C594-V602 HydrophobicContact CB-CG1 3.63Å; V602-C605 WeakPolarHBondContact CG1-SG 3.47Å
603M67.6Low61.2Low139 Ų13989.7 Ų89.769%0.68551%0.507SS*.EExtended strand (participates in β ladder)trans-99.4-46.1-179.5-66.1-169.681.700113.1S595 D597 M601S595-M603 PolarHBondContact O-N 3.48Å; D597-M603 HydrophobicContact CB-CG 4.13Å; D597-M603 HydrophobicContact CB-SD 3.81Å; M601-M603 PolarHBondContact O-N 2.66Å
604S66.1Low59.7Low39 Ų3995.3 Ų95.327%0.27354%0.541SS..EExtended strand (participates in β ladder)trans-152.9120.7178.6176.90000111.7S595 T606S595-S604 PolarHBondContact N-O 2.78Å; S595-S604 PolarHBondContact O-N 2.87Å; S595-S604 WeakPolarHBondContact OG-CB 3.43Å; S595-S604 PolarHBondContact OG-N 3.28Å; S595-S604 PolarHBondContact OG-O 2.96Å; S604-T606 PolarHBondContact OG-O 2.9Å; S604-T606 PolarHBondContact OG-OG1 3.38Å
605C65.1Low58.4Low44 Ų44100.3 Ų100.330%0.29758%0.576SS.*  trans-99.7-14.5176.8-66.30000113.5F500 Q563 C594 V602 A607F500-C605 HydrophobicContact CD1-CB 4.47Å; F500-C605 WeakPolarHBondContact CD1-SG 3.21Å; F500-C605 HydrophobicContact CE1-CB 4.5Å; Q563-C605 PolarHBondContact NE2-O 2.9Å; C594-C605 HydrophobicContact CB-CB 3.92Å; C594-C605 WeakPolarHBondContact CB-SG 3.34Å; C594-C605 WeakPolarHBondContact SG-CA 3.3Å; C594-C605 WeakPolarHBondContact SG-CB 3.34Å; C594-C605 CovalentContact SG-SG 2.02Å; C594-C605 PolarHBondContact SG-SG 2.88Å; V602-C605 WeakPolarHBondContact CG1-SG 3.47Å; C605-A607 PolarHBondContact O-N 3.45Å
606T58.5Low57.5Low100 Ų100102.2 Ų102.261%0.61358%0.583SS**SBendtrans-77.3122.7175.9510000107.9S604 E608S604-T606 PolarHBondContact OG-O 2.9Å; S604-T606 PolarHBondContact OG-OG1 3.38Å; T606-E608 PolarHBondContact O-N 3.41Å; T606-E608 VanDerWaalsContact O-N 3.08Å
607A49.8Very low57.3Low57 Ų57105 Ų10547%0.47160%0.602SS.*  trans-52.7121.9154.300000105.6C605 A609C605-A607 PolarHBondContact O-N 3.45Å; A607-A609 PolarHBondContact O-N 2.91Å
608E47.3Very low57.2Low166 Ų166112.8 Ų112.878%0.77663%0.628SS**  trans-61.781.8165.7-71.7-173.5169.500106.7T606 Y610T606-E608 PolarHBondContact O-N 3.41Å; T606-E608 VanDerWaalsContact O-N 3.08Å; E608-Y610 VanDerWaalsContact C-N 3.28Å; E608-Y610 PolarHBondContact O-N 2.82Å
609A36.1Very low57.5Low76 Ų76107 Ų10763%0.62861%0.607SS**  trans-58.8107.9154.700000103.1A607 V611A607-A609 PolarHBondContact O-N 2.91Å; A609-V611 WeakPolarHBondContact O-CG2 3.22Å; A609-V611 PolarHBondContact O-N 3.09Å
610Y39.5Very low57.7Low215 Ų215101.7 Ų101.784%0.84359%0.585SS**  trans-43.5100.4163.9-84.8-98.3000106.7E608 L612E608-Y610 VanDerWaalsContact C-N 3.28Å; E608-Y610 PolarHBondContact O-N 2.82Å; Y610-L612 PolarHBondContact O-N 3.26Å
611V42.4Very low58.2Low133 Ų133104.7 Ų104.781%0.80659%0.593SS**  trans-73.781.3169.9-163.90000103.2A609A609-V611 WeakPolarHBondContact O-CG2 3.22Å; A609-V611 PolarHBondContact O-N 3.09Å
612L40.6Very low58.7Low136 Ų136104 Ų10471%0.71259%0.591SS**  trans-47.3124.6151.6-81.7162000104.2Y610 V614Y610-L612 PolarHBondContact O-N 3.26Å; L612-V614 VanDerWaalsContact C-N 3.27Å; L612-V614 PolarHBondContact O-N 2.71Å
613P47.2Very low59.1Low112 Ų112103.3 Ų103.373%0.72759%0.592SS**  trans-58.4105.817224.2-30.1000104.8S615P613-S615 PolarHBondContact O-N 3Å
614V54.5Low59.6Low118 Ų118100.8 Ų100.872%0.71558%0.581SS**  trans-67.685.9166179.20000103.1L612 L616L612-V614 VanDerWaalsContact C-N 3.27Å; L612-V614 PolarHBondContact O-N 2.71Å; V614-L616 HydrophobicContact CG1-CD1 4.39Å; V614-L616 PolarHBondContact O-N 3.29Å
615S57Low60.4Low105 Ų105104.2 Ų104.273%0.73460%0.595SS**  trans-59.9101.916158.80000104.2P613 S617P613-S615 PolarHBondContact O-N 3Å; S615-S617 PolarHBondContact O-N 3.38Å
616L59.1Low61.2Low76 Ų76104.5 Ų104.540%0.39860%0.6SS.*  trans-51.7116.5167.4-101.982.5000106.3V614 R618 A620 L621 I624V614-L616 HydrophobicContact CG1-CD1 4.39Å; V614-L616 PolarHBondContact O-N 3.29Å; L616-R618 PolarHBondContact O-N 2.85Å; L616-A620 HydrophobicContact CB-CB 4.23Å; L616-A620 HydrophobicContact CD2-CB 3.81Å; L616-A620 HydrophobicContact CG-CB 3.91Å; L616-L621 HydrophobicContact CB-CD1 4.3Å; L616-L621 HydrophobicContact CB-CG 4.44Å; L616-L621 HydrophobicContact CD2-CG 4.41Å; L616-I624 HydrophobicContact CD2-CD1 3.4Å; L616-I624 VanDerWaalsContact CD2-CD1 3.4Å
617S71.2Confident62.4Low85 Ų85103.5 Ų103.559%0.59460%0.597SS**  trans-46.4142.2168.3163.10000108.4S615 G619 A620 L621S615-S617 PolarHBondContact O-N 3.38Å; S617-G619 CarbonylContact O-C 3.6Å; S617-G619 PolarHBondContact O-N 3.42Å; S617-G619 PolarHBondContact OG-N 3.06Å; S617-A620 PolarHBondContact O-N 2.76Å; S617-L621 PolarHBondContact O-N 3.02Å
618R70.8Confident64.1Low218 Ų218105.4 Ų105.482%0.82360%0.598SS**Hα-helixtrans-48.5-29.1175.9-72.5-175.1-173.2-179.12.2111.7L616 I622L616-R618 PolarHBondContact O-N 2.85Å; R618-I622 WeakPolarHBondContact O-CB 3.34Å; R618-I622 WeakPolarHBondContact O-CD1 3.25Å; R618-I622 WeakPolarHBondContact O-CG1 3.38Å; R618-I622 PolarHBondContact O-N 2.76Å
619G72.3Confident65.8Low45 Ų45104.3 Ų104.346%0.46459%0.591SS.*Hα-helixtrans-66.3-38.2173.300000115S617 A623S617-G619 CarbonylContact O-C 3.6Å; S617-G619 PolarHBondContact O-N 3.42Å; S617-G619 PolarHBondContact OG-N 3.06Å; G619-A623 VanDerWaalsContact O-CB 3.28Å; G619-A623 WeakPolarHBondContact O-CB 3.38Å; G619-A623 PolarHBondContact O-N 3.01Å
620A67.9Low68.2Low38 Ų38104.9 Ų104.931%0.31459%0.587SS.*Hα-helixtrans-72.9-3617700000111.8L616 S617 A623 I624L616-A620 HydrophobicContact CB-CB 4.23Å; L616-A620 HydrophobicContact CD2-CB 3.81Å; L616-A620 HydrophobicContact CG-CB 3.91Å; S617-A620 PolarHBondContact O-N 2.76Å; A620-A623 PolarHBondContact O-N 3.21Å; A620-I624 WeakPolarHBondContact O-CB 3.32Å; A620-I624 VanDerWaalsContact O-CG1 3.26Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.84Å
621L73.3Confident70.4Confident94 Ų9499.6 Ų99.649%0.49257%0.572SS.*Hα-helixtrans-66.8-40.6173.9-114.3154.9000111.8L616 S617 L625L616-L621 HydrophobicContact CB-CD1 4.3Å; L616-L621 HydrophobicContact CB-CG 4.44Å; L616-L621 HydrophobicContact CD2-CG 4.41Å; S617-L621 PolarHBondContact O-N 3.02Å; L621-L625 HydrophobicContact CD2-CD1 4.38Å; L621-L625 WeakPolarHBondContact O-CB 3.17Å; L621-L625 PolarHBondContact O-N 3.29Å
622I77.3Confident72.4Confident116 Ų11698 Ų9860%0.59556%0.559SS**Hα-helixtrans-66.4-39.4172.7-68.1164.6000110.9R618 L625 A626R618-I622 WeakPolarHBondContact O-CB 3.34Å; R618-I622 WeakPolarHBondContact O-CD1 3.25Å; R618-I622 WeakPolarHBondContact O-CG1 3.38Å; R618-I622 PolarHBondContact O-N 2.76Å; I622-L625 PolarHBondContact O-N 2.79Å; I622-A626 WeakPolarHBondContact O-CB 3.24Å; I622-A626 PolarHBondContact O-N 3.25Å
623A76.7Confident74.6Confident57 Ų5794.6 Ų94.647%0.47154%0.543SS..Hα-helixtrans-66.7-40.3177.600000112.3G619 A620 A626 C627G619-A623 VanDerWaalsContact O-CB 3.28Å; G619-A623 WeakPolarHBondContact O-CB 3.38Å; G619-A623 PolarHBondContact O-N 3.01Å; A620-A623 PolarHBondContact O-N 3.21Å; A623-A626 PolarHBondContact O-N 3.16Å; A623-C627 VanDerWaalsContact O-CB 3.3Å; A623-C627 WeakPolarHBondContact O-CB 3.36Å; A623-C627 PolarHBondContact O-N 3.47Å
624I79.5Confident76.3Confident87 Ų8793.8 Ų93.845%0.44653%0.532SS..Hα-helixtrans-69.5-42.6176-67.4169.1000110.7L616 A620 A626 C627 I628L616-I624 HydrophobicContact CD2-CD1 3.4Å; L616-I624 VanDerWaalsContact CD2-CD1 3.4Å; A620-I624 WeakPolarHBondContact O-CB 3.32Å; A620-I624 VanDerWaalsContact O-CG1 3.26Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.84Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 3.32Å; I624-C627 PolarHBondContact O-N 2.8Å; I624-I628 HydrophobicContact CG2-CD1 3.8Å; I624-I628 HydrophobicContact CG2-CG1 4.37Å; I624-I628 WeakPolarHBondContact O-CB 3.45Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.19Å; I624-I628 PolarHBondContact O-N 2.8Å
625L81.8Confident77.6Confident111 Ų11191.7 Ų91.758%0.58152%0.52SS*.Hα-helixtrans-62.4-38.5173.1-89.9158.2000112.1L621 I622 F629L621-L625 HydrophobicContact CD2-CD1 4.38Å; L621-L625 WeakPolarHBondContact O-CB 3.17Å; L621-L625 PolarHBondContact O-N 3.29Å; I622-L625 PolarHBondContact O-N 2.79Å; L625-F629 VanDerWaalsContact O-CB 3.26Å; L625-F629 WeakPolarHBondContact O-CB 3.28Å; L625-F629 PolarHBondContact O-N 3.47Å
626A82.3Confident78.7Confident49 Ų4991.6 Ų91.641%0.40551%0.51SS..Hα-helixtrans-67-39.1173.600000111.5I622 A623 I624 F629 V630I622-A626 WeakPolarHBondContact O-CB 3.24Å; I622-A626 PolarHBondContact O-N 3.25Å; A623-A626 PolarHBondContact O-N 3.16Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 3.32Å; A626-F629 PolarHBondContact O-N 3.13Å; A626-V630 WeakPolarHBondContact O-CB 3.47Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.84Å
627C83.8Confident79.7Confident80 Ų8092.5 Ų92.554%0.54152%0.515SS..Hα-helixtrans-68.6-41177.9-143.50000111.5A623 I624 V630 L631A623-C627 VanDerWaalsContact O-CB 3.3Å; A623-C627 WeakPolarHBondContact O-CB 3.36Å; A623-C627 PolarHBondContact O-N 3.47Å; I624-C627 PolarHBondContact O-N 2.8Å; C627-V630 PolarHBondContact O-N 3.38Å; C627-L631 WeakPolarHBondContact O-CB 3.38Å; C627-L631 PolarHBondContact O-N 2.88Å
628I84.8Confident80Confident96 Ų9692.8 Ų92.849%0.49251%0.509SS..Hα-helixtrans-64.2-42.6173.1-67.6168.3000110.2I624 L631 L632I624-I628 HydrophobicContact CG2-CD1 3.8Å; I624-I628 HydrophobicContact CG2-CG1 4.37Å; I624-I628 WeakPolarHBondContact O-CB 3.45Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.19Å; I624-I628 PolarHBondContact O-N 2.8Å; I628-L631 PolarHBondContact O-N 3.35Å; I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.38Å; I628-L632 PolarHBondContact O-N 3.48Å
629F84.5Confident80.2Confident143 Ų14386.9 Ų86.963%0.62749%0.493SS*.Hα-helixtrans-63.3-41.4175.7-173-97.6000112L625 A626 L632 V633L625-F629 VanDerWaalsContact O-CB 3.26Å; L625-F629 WeakPolarHBondContact O-CB 3.28Å; L625-F629 PolarHBondContact O-N 3.47Å; A626-F629 PolarHBondContact O-N 3.13Å; F629-L632 PolarHBondContact O-N 2.83Å; F629-V633 HydrophobicContact CD1-CG2 4.21Å; F629-V633 HydrophobicContact CE1-CG2 3.92Å; F629-V633 HydrophobicContact CZ-CG2 4.24Å; F629-V633 WeakPolarHBondContact O-CB 3.43Å; F629-V633 VanDerWaalsContact O-CG2 3.29Å; F629-V633 WeakPolarHBondContact O-CG2 3.26Å; F629-V633 PolarHBondContact O-N 2.78Å
630V86.1Confident80.1Confident89 Ų8987.5 Ų87.554%0.53949%0.491SS..Hα-helixtrans-65.5-41.6175170.50000111.3A626 C627 L632 V633 L634A626-V630 WeakPolarHBondContact O-CB 3.47Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.84Å; C627-V630 PolarHBondContact O-N 3.38Å; V630-L632 VanDerWaalsContact C-N 3.35Å; V630-V633 PolarHBondContact O-N 3.16Å; V630-L634 VanDerWaalsContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CB 3.18Å; V630-L634 PolarHBondContact O-N 3.23Å
631L85.6Confident80Confident103 Ų10390.4 Ų90.454%0.53950%0.499SS..Hα-helixtrans-63.2-39.6174-100.8160.5000112C627 I628 L634 V635C627-L631 WeakPolarHBondContact O-CB 3.38Å; C627-L631 PolarHBondContact O-N 2.88Å; I628-L631 PolarHBondContact O-N 3.35Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-V635 WeakPolarHBondContact O-CB 3.25Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.14Å; L631-V635 PolarHBondContact O-N 2.89Å
632L84.8Confident79.5Confident100 Ų10095.4 Ų95.452%0.52451%0.511SS..Hα-helixtrans-70.1-38.5179-146156.2000111.1I628 F629 V630 L636I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.38Å; I628-L632 PolarHBondContact O-N 3.48Å; F629-L632 PolarHBondContact O-N 2.83Å; V630-L632 VanDerWaalsContact C-N 3.35Å; L632-L636 HydrophobicContact CD2-CD1 3.74Å; L632-L636 HydrophobicContact CD2-CG 4.21Å; L632-L636 WeakPolarHBondContact O-CB 3.27Å; L632-L636 VanDerWaalsContact O-CG 3.3Å; L632-L636 WeakPolarHBondContact O-CG 3.35Å; L632-L636 PolarHBondContact O-N 2.89Å
633V85.3Confident78.6Confident64 Ų64100.5 Ų100.539%0.38852%0.523SS..Hα-helixtrans-62.9-42.4169.4170.80000110.7F629 V630 L636 L637F629-V633 HydrophobicContact CD1-CG2 4.21Å; F629-V633 HydrophobicContact CE1-CG2 3.92Å; F629-V633 HydrophobicContact CZ-CG2 4.24Å; F629-V633 WeakPolarHBondContact O-CB 3.43Å; F629-V633 VanDerWaalsContact O-CG2 3.29Å; F629-V633 WeakPolarHBondContact O-CG2 3.26Å; F629-V633 PolarHBondContact O-N 2.78Å; V630-V633 PolarHBondContact O-N 3.16Å; V633-L636 PolarHBondContact O-N 3.49Å; V633-L637 WeakPolarHBondContact O-CB 3.23Å; V633-L637 PolarHBondContact O-N 2.96Å
634L83.1Confident77.4Confident95 Ų95104.6 Ų104.650%0.49753%0.532SS..Hα-helixtrans-67.8-39.1179.7-158.2122.1000112.1V630 L631 L637 I638V630-L634 VanDerWaalsContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CB 3.18Å; V630-L634 PolarHBondContact O-N 3.23Å; L631-L634 PolarHBondContact O-N 2.91Å; L634-L637 WeakPolarHBondContact O-CB 3.32Å; L634-L637 PolarHBondContact O-N 2.88Å; L634-I638 HydrophobicContact CD2-CD1 3.76Å; L634-I638 WeakPolarHBondContact O-CB 3.5Å; L634-I638 VanDerWaalsContact O-CG1 3.24Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 2.67Å
635V83.5Confident76.1Confident74 Ų74110.5 Ų110.545%0.44855%0.549SS..Hα-helixtrans-66-42.3172.91700000110.8L631 L637 I638 L639L631-V635 WeakPolarHBondContact O-CB 3.25Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.14Å; L631-V635 PolarHBondContact O-N 2.89Å; V635-L637 VanDerWaalsContact C-N 3.31Å; V635-L637 PolarHBondContact O-N 2.88Å; V635-I638 PolarHBondContact O-N 2.85Å; V635-L639 HydrophobicContact CG1-CD1 4.04Å; V635-L639 WeakPolarHBondContact O-CB 3.33Å; V635-L639 VanDerWaalsContact O-CG 3.29Å; V635-L639 WeakPolarHBondContact O-CG 3.45Å; V635-L639 PolarHBondContact O-N 2.78Å
636L79.4Confident74.3Confident103 Ų103114.1 Ų114.154%0.53956%0.56SS.*Hα-helixtrans-64.9-33.9172.8-75.3170.7000112.2L632 V633 S640L632-L636 HydrophobicContact CD2-CD1 3.74Å; L632-L636 HydrophobicContact CD2-CG 4.21Å; L632-L636 WeakPolarHBondContact O-CB 3.27Å; L632-L636 VanDerWaalsContact O-CG 3.3Å; L632-L636 WeakPolarHBondContact O-CG 3.35Å; L632-L636 PolarHBondContact O-N 2.89Å; V633-L636 PolarHBondContact O-N 3.49Å; L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.38Å
637L79.1Confident72.2Confident96 Ų96119.3 Ų119.350%0.50358%0.576SS.*Hα-helixtrans-69.2-41.6174.1-127.6154.3000111.4V633 L634 V635 S640 M641V633-L637 WeakPolarHBondContact O-CB 3.23Å; V633-L637 PolarHBondContact O-N 2.96Å; L634-L637 WeakPolarHBondContact O-CB 3.32Å; L634-L637 PolarHBondContact O-N 2.88Å; V635-L637 VanDerWaalsContact C-N 3.31Å; V635-L637 PolarHBondContact O-N 2.88Å; L637-S640 PolarHBondContact O-N 3.35Å; L637-M641 HydrophobicContact CD2-CG 4.13Å; L637-M641 HydrophobicContact CD2-SD 4.09Å; L637-M641 WeakPolarHBondContact O-CB 3.43Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.37Å; L637-M641 PolarHBondContact O-N 3.47Å
638I78.9Confident70.2Confident90 Ų90121.6 Ų121.646%0.46259%0.59SS.*Hα-helixtrans-65.3-40.3174.6-70.2166.2000110.8L634 V635 M641 R642L634-I638 HydrophobicContact CD2-CD1 3.76Å; L634-I638 WeakPolarHBondContact O-CB 3.5Å; L634-I638 VanDerWaalsContact O-CG1 3.24Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 2.67Å; V635-I638 PolarHBondContact O-N 2.85Å; I638-M641 PolarHBondContact O-N 2.91Å; I638-R642 WeakPolarHBondContact O-CB 3.48Å; I638-R642 PolarHBondContact O-N 2.89Å
639L74.2Confident68.1Low94 Ų94127.4 Ų127.449%0.49261%0.607SS.*Hα-helixtrans-69.2-36.9175.5-71.5171.2000112.3V635 R643V635-L639 HydrophobicContact CG1-CD1 4.04Å; V635-L639 WeakPolarHBondContact O-CB 3.33Å; V635-L639 VanDerWaalsContact O-CG 3.29Å; V635-L639 WeakPolarHBondContact O-CG 3.45Å; V635-L639 PolarHBondContact O-N 2.78Å; L639-R643 PolarHBondContact O-N 2.89Å; L639-R643 VanDerWaalsContact O-N 3.08Å
640S69.5Low66.1Low58 Ų58127.6 Ų127.641%0.40662%0.619SS.*Hα-helixtrans-66.7-43.5172.4174.80000112L636 L637 R643 H644L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.38Å; L637-S640 PolarHBondContact O-N 3.35Å; S640-R643 CarbonylContact O-C 3.5Å; S640-R643 WeakPolarHBondContact O-CA 3.5Å; S640-R643 WeakPolarHBondContact O-CB 3.33Å; S640-R643 PolarHBondContact O-N 3.04Å; S640-R643 VanDerWaalsContact O-N 3.12Å; S640-H644 PolarHBondContact O-N 3.14Å
641M67.3Low63.8Low100 Ų100130.4 Ų130.449%0.49363%0.63SS.*Hα-helixtrans-68.8-33.6175.6-75-168.86800112.8L637 I638 R643 H644 R645L637-M641 HydrophobicContact CD2-CG 4.13Å; L637-M641 HydrophobicContact CD2-SD 4.09Å; L637-M641 WeakPolarHBondContact O-CB 3.43Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.37Å; L637-M641 PolarHBondContact O-N 3.47Å; I638-M641 PolarHBondContact O-N 2.91Å; M641-R643 VanDerWaalsContact C-N 3.29Å; M641-H644 PolarHBondContact O-N 2.88Å; M641-R645 PolarHBondContact O-N 2.92Å
642R62.8Low61.5Low199 Ų199133 Ų13375%0.75164%0.644SS**Hα-helixtrans-65.6-31.1169.2-94.7-174169-175.3-2.5112.2I638I638-R642 WeakPolarHBondContact O-CB 3.48Å; I638-R642 PolarHBondContact O-N 2.89Å
643R58.1Low59.1Low222 Ų222137.2 Ų137.284%0.83866%0.661SS**Hα-helixtrans-76.8-28172.4-94-177170.8-178.3-2.4113.6L639 S640 M641L639-R643 PolarHBondContact O-N 2.89Å; L639-R643 VanDerWaalsContact O-N 3.08Å; S640-R643 CarbonylContact O-C 3.5Å; S640-R643 WeakPolarHBondContact O-CA 3.5Å; S640-R643 WeakPolarHBondContact O-CB 3.33Å; S640-R643 PolarHBondContact O-N 3.04Å; S640-R643 VanDerWaalsContact O-N 3.12Å; M641-R643 VanDerWaalsContact C-N 3.29Å
644H51.6Low57Low144 Ų144143 Ų14367%0.66768%0.684SS**Hα-helixtrans-92-4.9178-85.1-69.9000115.5S640 M641 K646S640-H644 PolarHBondContact O-N 3.14Å; M641-H644 PolarHBondContact O-N 2.88Å; H644-K646 VanDerWaalsContact C-N 3.32Å
645R51.1Low55Low210 Ų210147.2 Ų147.279%0.79270%0.701SS**THydrogen-bonded Turntrans-89.719.4171.7-86.3-168.9177.3-178.10.4114.8M641M641-R645 PolarHBondContact O-N 2.92Å
646K44.1Very low52.7Low187 Ų187150 Ų15081%0.81371%0.714SS**  trans-12375.7165.5-70-166.8177.8-169.80109.9H644H644-K646 VanDerWaalsContact C-N 3.32Å
647Q39.4Very low51.2Low158 Ų158151.5 Ų151.574%0.73872%0.721SS**  trans-126.2123.1151.2-77.4-174.7-26.200106.1
648P41.8Very low49.1Very low128 Ų128155.1 Ų155.183%0.83174%0.735SS**PPolyproline II helixtrans-71.6140.8176.227.7-30.5000110.4
649Y39Very low47.2Very low218 Ų218158.6 Ų158.686%0.85575%0.749SS**PPolyproline II helixtrans-68.8130.4167.3-74.3-90.3000109
650V43.3Very low45.4Very low147 Ų147161.5 Ų161.589%0.89177%0.765SS**PPolyproline II helixtrans-73.4117.7164173.50000107.2
651I38.6Very low44.1Very low149 Ų149165.6 Ų165.676%0.76478%0.781SS**  trans-134.2131.3163.4-63-178.6000107.5
652D37.1Very low42.7Very low157 Ų157166.3 Ų166.384%0.8479%0.791SS**  trans-39.8133.7177.7-103.9-40.4000114.9E654D652-E654 PolarHBondContact O-N 3.48Å
653E34.2Very low41.6Very low189 Ų189167.5 Ų167.588%0.88380%0.795SS**  trans-82.192.5163.6-71.9-172.4166.900109.7
654E41.6Very low40.9Very low184 Ų184166.7 Ų166.786%0.8679%0.794SS**  trans-152.382.6151.3-102.9-177.2-168.600107.4D652D652-E654 PolarHBondContact O-N 3.48Å
655E39.8Very low40.3Very low184 Ų184167.8 Ų167.886%0.8681%0.805SS**SBendtrans161.2122.8138.9-90.6179.7163.900112.2
656N35.5Very low40Very low133 Ų133165.6 Ų165.671%0.71181%0.809SS**  trans77.589.4150.4-82.2-32.6000121.3
657I48.2Very low40.1Very low135 Ų135165.4 Ų165.469%0.69281%0.81SS**  15.4111.4117.545.9155.8000116.5
658H35.9Very low40Very low171 Ų171161.8 Ų161.879%0.79282%0.815SS**  -165128.3129.2-100.9-77000110.6
659E39Very low39.9Very low163 Ų163159.9 Ų159.976%0.76282%0.82SS**  trans83.284.9151.2-61.2-177.7-170.500120.2
660N35.7Very low39.8Very low156 Ų156153 Ų15383%0.83482%0.815SS**  trans-84.8101.2150-115.64.6000108.8
661I42.3Very low39.8Very low144 Ų144155.4 Ų155.474%0.73882%0.816SS**  trans-102102.5154-73.1172.5000106.1
662V38.4Very low40Very low115 Ų115157.1 Ų157.170%0.69782%0.821SS**  trans-82.1122.9170.8176.70000107.5
663R37.8Very low40.2Very low224 Ų224156.9 Ų156.985%0.84582%0.82SS**  trans-120.7115.1155.3-83.2-167.1-178.6-157.31.3108.5
664Y43.4Very low40.3Very low205 Ų205155 Ų15580%0.80482%0.821SS**SBendtrans19.395.4149.6-74.7-91.2000116.9
665D40.1Very low40.2Very low167 Ų167155.6 Ų155.689%0.89382%0.824SS**  trans-153.628.2142.5-87.6-28.4000110.6
666D44.2Very low39.9Very low164 Ų164150.7 Ų150.788%0.87782%0.815SS**  trans-125.336.6-176.5-119.38000113.2
667E45.8Very low40Very low182 Ų182154.2 Ų154.285%0.8582%0.824SS**SBendtrans-141.3108.5158.1-88.4-172.1176.700111.1
668G39.2Very low39.6Very low82 Ų82154.5 Ų154.585%0.84583%0.828SS**  trans65.973.4137.700000118
669G38.8Very low40.2Very low89 Ų89153.2 Ų153.292%0.91883%0.825SS**  trans-77.4116.9156.600000110.9
670G36.1Very low40.5Very low73 Ų73149.8 Ų149.875%0.75382%0.824SS**  trans-179.758.5175.600000113.7
671E44.6Very low41Very low198 Ų198146.8 Ų146.893%0.92582%0.821SS**  trans-131.4127153.3-76.7-167.5164.300109.5
672E43.1Very low41.2Very low184 Ų184147.7 Ų147.786%0.8682%0.824SS**  trans-72.1160.5174.7-75.2174.4139.200111.2
673D40.1Very low41.2Very low153 Ų153154.8 Ų154.882%0.81884%0.839SS**  trans8476.9166.7-57.7-13.9000118.9
674T37.3Very low41Very low149 Ų149151.5 Ų151.591%0.91484%0.838SS**  trans-138.997.7140.949.50000111.3
675E39.5Very low41.2Very low196 Ų196147.2 Ų147.292%0.91684%0.835SS**  trans-89.5135.5162.9-76.9-166.1168.400111.6
676A33.7Very low40.9Very low81 Ų81150 Ų15067%0.66983%0.833SS**  trans79.794.5141.900000120.1
677F37.5Very low40.4Very low207 Ų207151.5 Ų151.591%0.90884%0.835SS**  -145.6124.1127.7-85.6-73.2000111
678D39.2Very low39.7Very low142 Ų142146.7 Ų146.776%0.75983%0.826SS**  trans-78.7121.9178.8-176.6-1.2000110.6A680D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 2.87Å; D678-A680 VanDerWaalsContact OD1-N 3.12Å
679I48.2Very low39.4Very low144 Ų144151.3 Ų151.374%0.73883%0.826SS**  trans-93.813-174.2-61.9172.7000111.7A681I679-A681 PolarHBondContact O-N 3.27Å
680A45.3Very low39.2Very low90 Ų90154.7 Ų154.774%0.74482%0.822SS**THydrogen-bonded Turntrans-75.936.3179.300000115.8D678D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 2.87Å; D678-A680 VanDerWaalsContact OD1-N 3.12Å
681A46.1Very low39Very low93 Ų93156.9 Ų156.977%0.76982%0.821SS**THydrogen-bonded Turntrans-132.719.8-178.400000116.5I679I679-A681 PolarHBondContact O-N 3.27Å
682M47.1Very low38.4Very low163 Ų163153 Ų15380%0.80381%0.81SS**  trans-135.247.4-179.9-81.4-166.4-73.800115.8
683W37.5Very low38Very low265 Ų265152.7 Ų152.7100%1.00481%0.806SS**  trans-130.778.4165.9-8962.6000111.4
684N35.1Very low37.5Very low155 Ų155152.6 Ų152.683%0.82981%0.806SS**  trans-175.9131.4131.9-126.1-19.7000112.2
685P46.7Very low37.6Very low115 Ų115157.5 Ų157.575%0.74781%0.807SS**  trans-106.4104.2176.134.7-22.5000111.2
686R34.7Very low37.3Very low226 Ų226156.4 Ų156.485%0.85380%0.802SS**  trans-153.5122.8158.4-72.4-163.1177.1-178.9-2.6111.1
687E32.9Very low37.4Very low195 Ų195158.2 Ų158.291%0.91180%0.8SS**  trans60.9134.1156.3-65.7173.5167.400116.5
688A31Very low37.1Very low81 Ų81157 Ų15767%0.66980%0.8SS**  cis-163.9131.716.400000106.6
689Q33.9Very low37Very low179 Ų179157.8 Ų157.884%0.83680%0.803SS**  44.5110.6110.8-82.1171.2-21.200116.3
690L32.7Very low36.7Very low160 Ų160156.5 Ų156.584%0.83880%0.804SS**  149.4123.1120.8-83.8155.1000112.9
691V32.3Very low36Very low119 Ų119160.2 Ų160.272%0.72181%0.806SS**  trans81.396.3141.3-175.20000118.6
692V33.3Very low35.5Very low117 Ų117163.5 Ų163.571%0.70981%0.809SS**  49.5127.5112.1-177.60000119.9
693K33.7Very low34.8Very low176 Ų176163.8 Ų163.877%0.76581%0.809SS**  trans93.2117.6146.5-91.6170.3-175.4-178.20120.7
694N30.9Very low34.8Very low152 Ų152156.1 Ų156.181%0.81380%0.795SS**  trans57.3124.5130.6-68.95.5000120.9
695R37.3Very low34.6Very low252 Ų252156.7 Ų156.795%0.95180%0.797SS**  trans-66.4136.9162.2-67.8-177.3-178.7-173.50.6112.1
696Q34.3Very low34.1Very low172 Ų172156.3 Ų156.380%0.80480%0.798SS**  trans-164.6147.4153.7-90.8-170.2-72.100104.2
697D34.7Very low33.9Very low119 Ų119157.2 Ų157.264%0.63680%0.801SS**  cis-169.3166.4-0.1-88.4-26.6000106.4
698M31.2Very low33.7Very low181 Ų181157.5 Ų157.589%0.89280%0.795SS**  151.596.6122.1-78.9-163.4-162.800114.7
699L38.3Very low33.7Very low160 Ų160160 Ų16084%0.83880%0.802SS**  2.1156.2124.6-75.8162.2000120.3
700P40.8Very low34.2Very low117 Ų117155.8 Ų155.876%0.7679%0.79SS**  -137.9142.574.424.7-1.8000115.4
701E32.5Very low34.3Very low167 Ų167156.7 Ų156.778%0.7879%0.79SS**  74.7118.184.1-141.5171.3-141.700113.3
702I35.1Very low34.2Very low163 Ų163157.7 Ų157.784%0.83680%0.797SS**  -165.7152.194.6-79.3150.6000113
703E32.4Very low34.1Very low169 Ų169157.7 Ų157.779%0.7980%0.801SS**  trans-49145.2-174.4-70.3171140.500123.3
704S36.4Very low34.2Very low104 Ų104156.1 Ų156.173%0.72781%0.805SS**  trans6.2141.6137.567.50000122.3
705L31.8Very low34.8Very low166 Ų166156.9 Ų156.987%0.86981%0.806SS**  -155.1123.8127.9-104.6163000111
706S34.9Very low35Very low108 Ų108151.6 Ų151.676%0.75580%0.797SS**  trans-81.1142.517047.40000111
707R30.9Very low35.9Very low245 Ų245151.1 Ų151.193%0.92580%0.799SS**  trans-152.5117.7151.7-146.3177.7-78.8-178.2-3.2111.1
708Y29.4Very low36.7Very low201 Ų201150.2 Ų150.279%0.78880%0.795SS**  trans-97.3138.2167.3-162.9-90.2000107.8
709V31.5Very low38.1Very low132 Ų132147 Ų14780%0.879%0.785SS**  -170.8169.5126.5-136.60000109.4
710P43.8Very low39.1Very low91 Ų91145.2 Ų145.259%0.59177%0.772SS**  -125.2171-106.942.8-23.7000116.3
711Q35.4Very low40Very low179 Ų179143.7 Ų143.784%0.83676%0.758SS**  trans15137.7154.5-67.9-177.8-32.200121.9
712T28.8Very low41.5Very low141 Ų141143 Ų14387%0.86575%0.749SS**  -156.7137.311245.40000112.6
713C32.9Very low42.6Very low117 Ų117138.9 Ų138.979%0.79173%0.731SS**  trans-56.9150.9166.8-57.40000113.1
714V35.8Very low44.1Very low143 Ų143135.1 Ų135.187%0.86772%0.716SS**  -159136.6118.1170.40000108.6
715M42.7Very low45.2Very low168 Ų168133 Ų13383%0.82870%0.704SS**  trans-62.9134.7172.2-71.3-87.8-175.900112.1
716D40.7Very low46.6Very low141 Ų141129.8 Ų129.875%0.75468%0.683SS**  trans-156.7125.4136.6-137.1-10.5000111.5N718D716-N718 PolarHBondContact O-N 3.01Å
717N53Low47.9Very low161 Ų161129.2 Ų129.286%0.86167%0.672SS**  trans-81.877.8-174.6-90.9-14.1000110.8
718N52.6Low49.2Very low101 Ų101125.5 Ų125.554%0.5466%0.659SS.*  trans-148114.5168.8-143.4-12.4000112.1D716 H720 N721D716-N718 PolarHBondContact O-N 3.01Å; N718-H720 PolarHBondContact O-N 3.13Å; N718-N721 PolarHBondContact O-N 3.23Å
719V60.8Low50.6Low114 Ų114121.8 Ų121.869%0.69165%0.649SS**Hα-helixtrans-55.1-29.1179.8178.40000111.3N721 Y722 V723V719-N721 PolarHBondContact O-N 3.18Å; V719-Y722 PolarHBondContact O-N 3.48Å; V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 WeakPolarHBondContact O-CG2 3.42Å; V719-V723 PolarHBondContact O-N 3.21Å; V719-V723 VanDerWaalsContact O-N 3.08Å
720H58.3Low51.8Low122 Ų122118.6 Ų118.657%0.56564%0.636SS**Hα-helixtrans-59-41.7176.5-168.371000113.6N718 L724N718-H720 PolarHBondContact O-N 3.13Å; H720-L724 PolarHBondContact O-N 2.96Å; H720-L724 VanDerWaalsContact O-N 3.13Å
721N60.8Low52.3Low84 Ų84120 Ų12045%0.44964%0.638SS.*Hα-helixtrans-77.2-28.7-179.6-73.8-16.1000112.2N718 V719 A725N718-N721 PolarHBondContact O-N 3.23Å; V719-N721 PolarHBondContact O-N 3.18Å; N721-A725 WeakPolarHBondContact O-CB 3.37Å; N721-A725 PolarHBondContact O-N 3.36Å
722Y63.1Low53.1Low154 Ų154117.6 Ų117.660%0.60463%0.628SS**Hα-helixtrans-66.1-42.8172.6179.4-97000111.7V719 A725 K726V719-Y722 PolarHBondContact O-N 3.48Å; Y722-A725 PolarHBondContact O-N 2.82Å; Y722-K726 HydrophobicContact CE1-CG 4.14Å; Y722-K726 WeakPolarHBondContact O-CG 3.15Å; Y722-K726 PolarHBondContact O-N 3.18Å
723V59.5Low54.5Low75 Ų75115.2 Ų115.246%0.45561%0.61SS.*Hα-helixtrans-65.5-42.3176.9174.40000111V719 A725 K726 L727V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 WeakPolarHBondContact O-CG2 3.42Å; V719-V723 PolarHBondContact O-N 3.21Å; V719-V723 VanDerWaalsContact O-N 3.08Å; V723-A725 PolarHBondContact O-N 2.59Å; V723-K726 PolarHBondContact O-N 3.44Å; V723-L727 HydrophobicContact CG1-CD1 4.35Å; V723-L727 PolarHBondContact O-N 2.72Å
724L63.4Low55.4Low91 Ų91117.4 Ų117.448%0.47661%0.614SS.*Hα-helixtrans-64.8-37.6175.7-77.7166.7000112.9H720 L727 Y728H720-L724 PolarHBondContact O-N 2.96Å; H720-L724 VanDerWaalsContact O-N 3.13Å; L724-L727 PolarHBondContact O-N 3.09Å; L724-Y728 PolarHBondContact O-N 2.97Å
725A58.4Low56.2Low58 Ų58121.9 Ų121.948%0.47962%0.615SS.*Hα-helixtrans-65.4-3817500000112.2N721 Y722 V723 Y728 E729N721-A725 WeakPolarHBondContact O-CB 3.37Å; N721-A725 PolarHBondContact O-N 3.36Å; Y722-A725 PolarHBondContact O-N 2.82Å; V723-A725 PolarHBondContact O-N 2.59Å; A725-Y728 PolarHBondContact O-N 2.89Å; A725-E729 PolarHBondContact O-N 3.45Å; A725-E729 VanDerWaalsContact O-N 3.1Å
726K61.5Low56.6Low99 Ų99116.6 Ų116.643%0.4360%0.598SS.*Hα-helixtrans-71.3-33.6175.2-73-72.5163.7-158.30113.1Y722 V723 E729 A730Y722-K726 HydrophobicContact CE1-CG 4.14Å; Y722-K726 WeakPolarHBondContact O-CG 3.15Å; Y722-K726 PolarHBondContact O-N 3.18Å; V723-K726 PolarHBondContact O-N 3.44Å; K726-E729 WeakPolarHBondContact CD-OE2 2.75Å; K726-E729 WeakPolarHBondContact CE-OE2 3.16Å; K726-E729 IonicContact NZ-OE2 2.91Å; K726-E729 PolarHBondContact NZ-OE2 3.35Å; K726-E729 PolarHBondContact O-N 3.32Å; K726-A730 PolarHBondContact O-N 3.48Å; K726-A730 VanDerWaalsContact O-N 3.15Å
727L62.3Low56.6Low97 Ų97115.7 Ų115.751%0.50860%0.6SS.*Hα-helixtrans-65.1-43.5173-125.1115.6000111.4V723 L724 E729 A730 D731V723-L727 HydrophobicContact CG1-CD1 4.35Å; V723-L727 PolarHBondContact O-N 2.72Å; L724-L727 PolarHBondContact O-N 3.09Å; L727-E729 VanDerWaalsContact C-N 3.31Å; L727-E729 PolarHBondContact O-N 3.44Å; L727-A730 PolarHBondContact O-N 3.3Å; L727-D731 PolarHBondContact O-N 3.28Å
728Y58.7Low55.9Low167 Ų167112.7 Ų112.766%0.65559%0.589SS**Hα-helixtrans-68.2-30.4178-158.7-94.7000112.8L724 A725 M732L724-Y728 PolarHBondContact O-N 2.97Å; A725-Y728 PolarHBondContact O-N 2.89Å; Y728-M732 HydrophobicContact CD1-CG 4.46Å; Y728-M732 HydrophobicContact CE1-CG 4.29Å; Y728-M732 WeakPolarHBondContact O-CG 3.3Å; Y728-M732 PolarHBondContact O-N 2.97Å
729E58.8Low55.3Low123 Ų123117.5 Ų117.558%0.57561%0.606SS**Hα-helixtrans-66.9-37.4171.6-121.2176.5178.400112.1A725 K726 L727A725-E729 PolarHBondContact O-N 3.45Å; A725-E729 VanDerWaalsContact O-N 3.1Å; K726-E729 WeakPolarHBondContact CD-OE2 2.75Å; K726-E729 WeakPolarHBondContact CE-OE2 3.16Å; K726-E729 IonicContact NZ-OE2 2.91Å; K726-E729 PolarHBondContact NZ-OE2 3.35Å; K726-E729 PolarHBondContact O-N 3.32Å; L727-E729 VanDerWaalsContact C-N 3.31Å; L727-E729 PolarHBondContact O-N 3.44Å
730A56.1Low54.4Low64 Ų64119.9 Ų119.953%0.52962%0.615SS.*Hα-helixtrans-73.9-36.9177.700000112.7K726 L727 M732 D733K726-A730 PolarHBondContact O-N 3.48Å; K726-A730 VanDerWaalsContact O-N 3.15Å; L727-A730 PolarHBondContact O-N 3.3Å; A730-M732 PolarHBondContact O-N 3.2Å; A730-D733 PolarHBondContact O-N 2.9Å
731D54Low53.3Low120 Ų120119.3 Ų119.364%0.64262%0.624SS**Hα-helixtrans-70.2-15.1177.3-76.1-21.4000113.6L727L727-D731 PolarHBondContact O-N 3.28Å
732M52.5Low52.4Low129 Ų129123.3 Ų123.364%0.63565%0.645SS**THydrogen-bonded Turntrans-100.63.7177.8-69.7-83.477.500113.8Y728 A730 L734Y728-M732 HydrophobicContact CD1-CG 4.46Å; Y728-M732 HydrophobicContact CE1-CG 4.29Å; Y728-M732 WeakPolarHBondContact O-CG 3.3Å; Y728-M732 PolarHBondContact O-N 2.97Å; A730-M732 PolarHBondContact O-N 3.2Å; M732-L734 PolarHBondContact O-N 2.98Å
733D58.3Low50.8Low91 Ų91124.5 Ų124.549%0.48766%0.656SS.*  trans-79.6106.7175.3-169.6-5.2000111.2A730 W735 A736A730-D733 PolarHBondContact O-N 2.9Å; D733-W735 PolarHBondContact O-N 3.02Å; D733-W735 PolarHBondContact OD1-N 3.48Å; D733-A736 HydrophobicContact CB-CB 4.41Å
734L51.1Low49.5Very low164 Ų164126.4 Ų126.486%0.85967%0.668SS**THydrogen-bonded Turntrans-69.9-3.3179-83.4153.3000114M732M732-L734 PolarHBondContact O-N 2.98Å
735W53.6Low48.2Very low237 Ų237132.8 Ų132.890%0.89869%0.687SS**THydrogen-bonded Turntrans-118.96.9-179.1-68.2-25.9000115.1D733D733-W735 PolarHBondContact O-N 3.02Å; D733-W735 PolarHBondContact OD1-N 3.48Å
736A50.3Low46.8Very low57 Ų57138.3 Ų138.347%0.47171%0.705SS.*SBendtrans-76128.1169.800000111D733D733-A736 HydrophobicContact CB-CB 4.41Å
737P40.7Very low45.7Very low121 Ų121142.6 Ų142.679%0.78672%0.724SS**PPolyproline II helixtrans-73139.2-179.627.6-31.9000111.7
738P39.1Very low44.3Very low99 Ų99147.3 Ų147.364%0.64374%0.744SS**PPolyproline II helixtrans-92.2148.8-179.836-30.9000111.4
739F39.8Very low43.2Very low202 Ų202142 Ų14289%0.88674%0.739SS**  trans93.7111.1169.8-50-68.5000117.9
740D42.8Very low42.2Very low164 Ų164144.3 Ų144.388%0.87776%0.756SS**  trans-77.2125.4160.3-154.23.9000108.7
741S33.6Very low41.4Very low110 Ų110144.8 Ų144.877%0.76977%0.767SS**  trans-113.497178.262.10000110.8Q743S741-Q743 PolarHBondContact O-N 2.79Å
742L41.9Very low40.4Very low168 Ų168144.6 Ų144.688%0.8878%0.775SS**  trans-58.9119.8158.1-92156.5000110
743Q31.2Very low40Very low178 Ų178145.8 Ų145.883%0.83279%0.789SS**  trans-147.5120.5154.3-127.5-173.7-25.200113.9S741S741-Q743 PolarHBondContact O-N 2.79Å
744T32.2Very low39.1Very low115 Ų115145.2 Ų145.271%0.70680%0.798SS**  trans79.597.9143.20.40000119.9
745Y35.2Very low38.4Very low225 Ų225146.7 Ų146.788%0.88280%0.8SS**  trans-55.1130.7147.7-72.7-91.1000111.6
746M29.4Very low37.4Very low175 Ų175141.1 Ų141.186%0.86280%0.797SS**  trans-138111.8153.9-94.8-17662.800110.1
747F37.4Very low36.7Very low188 Ų188146.1 Ų146.183%0.82582%0.815SS**  trans52.885.5138.1-154.7-96.6000117.6G749F747-G749 PolarHBondContact O-N 2.98Å
748E33.9Very low36.4Very low197 Ų197146.1 Ų146.192%0.92182%0.818SS**  trans-75.6114.1157.7-98178165.600109.4
749G36.2Very low36.1Very low55 Ų55147.1 Ų147.157%0.56783%0.827SS**  trans-66160.3169.700000111.9F747 G751F747-G749 PolarHBondContact O-N 2.98Å; G749-G751 PolarHBondContact O-N 3.29Å
750N36.2Very low36Very low171 Ų171146 Ų14691%0.91483%0.83SS**SBendtrans-60.7128.5176.3-87.9-9.9000112.1
751G40.8Very low35.5Very low75 Ų75147.2 Ų147.277%0.77383%0.83SS**  trans67.9101.4144.300000116.2G749G749-G751 PolarHBondContact O-N 3.29Å
752S32.6Very low35.4Very low116 Ų116147.7 Ų147.781%0.81183%0.834SS**  trans-115129.1156.4-176.30000109A754S752-A754 VanDerWaalsContact C-N 3.33Å; S752-A754 PolarHBondContact O-N 2.8Å
753V43.6Very low35Very low153 Ų153145.7 Ų145.793%0.92783%0.828SS**  trans-95.444.8-163.9-167.70000110.9
754A39.2Very low35.3Very low80 Ų80143.1 Ų143.166%0.66182%0.824SS**  trans-140.489.5-177.900000110.6S752 S756S752-A754 VanDerWaalsContact C-N 3.33Å; S752-A754 PolarHBondContact O-N 2.8Å; A754-S756 PolarHBondContact O-N 2.74Å; A754-S756 VanDerWaalsContact O-N 3.11Å
755E35.8Very low35.5Very low195 Ų195143.6 Ų143.691%0.91183%0.828SS**  trans-62.5102.9166.8-70176.6160.700109.1
756S33.6Very low36Very low119 Ų119141 Ų14183%0.83283%0.829SS**  trans-105.2115.2168.9-159.40000109.5A754A754-S756 PolarHBondContact O-N 2.74Å; A754-S756 VanDerWaalsContact O-N 3.11Å
757L35.9Very low36.5Very low162 Ų162137.8 Ų137.885%0.84882%0.824SS**  trans-89.4100.9-176.3-70.5165.1000109.8
758S33.8Very low36.9Very low122 Ų122136.5 Ų136.585%0.85383%0.826SS**  trans-162.981.5158.9-82.20000111
759S32.4Very low37.5Very low119 Ų119134.4 Ų134.483%0.83282%0.816SS**  trans-156136.2149.155.50000110.9Q761S759-Q761 PolarHBondContact O-N 3.46Å; S759-Q761 VanDerWaalsContact O-N 3.14Å
760L38Very low38.2Very low179 Ų179135.9 Ų135.994%0.93782%0.817SS**  trans-65.2100.9179.6-81.1151.9000110.9
761Q33.5Very low39.4Very low189 Ų189131.3 Ų131.388%0.88379%0.788SS**  trans-161.3103.9155.2-113.5170.1-1.900109.1S759S759-Q761 PolarHBondContact O-N 3.46Å; S759-Q761 VanDerWaalsContact O-N 3.14Å
762S30.9Very low40.2Very low121 Ų121134 Ų13485%0.84679%0.785SS**  trans-137.794.7163.166.90000109.7
763V32.3Very low41.7Very low126 Ų126134.1 Ų134.176%0.76477%0.768SS**  trans-111.4115.8154.1171.10000105.5
764T38.2Very low42.6Very low123 Ų123128.1 Ų128.176%0.75573%0.731SS**  trans65.4135.6160.166.60000115.8
765T36Very low43.8Very low126 Ų126127.9 Ų127.977%0.77372%0.721SS**  cis-164.1158.744.138.10000109.7S767T765-S767 PolarHBondContact O-N 3.33Å
766D47.2Very low45.2Very low169 Ų169125.2 Ų125.290%0.90471%0.713SS**  trans-40.5124.2165.5-77.3-44.4000114
767S39.3Very low46.6Very low109 Ų109127.5 Ų127.576%0.76270%0.703SS**  trans-159.1112.2147.963.70000110.7T765T765-S767 PolarHBondContact O-N 3.33Å
768D45.1Very low48.1Very low161 Ų161121.1 Ų121.186%0.86168%0.676SS**  trans-7.8125.8165.5-58-37.1000118.9S770D768-S770 PolarHBondContact O-N 3.42Å
769Q47.8Very low49.8Very low152 Ų152121.2 Ų121.271%0.7167%0.674SS**  trans-77.998.6169.4-64.3-178.2-11.600110.4Y771Q769-Y771 HydrophobicContact CB-CD2 4.35Å; Q769-Y771 HydrophobicContact CB-CE2 3.6Å; Q769-Y771 VanDerWaalsContact CD-OH 3.25Å; Q769-Y771 PolarHBondContact OE1-OH 3.36Å
770S50.8Low51.1Low86 Ų86125.9 Ų125.960%0.60167%0.674SS**  trans-89.1118.6170.372.60000111.1D768D768-S770 PolarHBondContact O-N 3.42Å
771Y60.7Low52Low76 Ų76121 Ų12130%0.29865%0.645SS.*  trans-99.69.7-179.5-68.2-75.2000114.2Q769 Y773 L774Q769-Y771 HydrophobicContact CB-CD2 4.35Å; Q769-Y771 HydrophobicContact CB-CE2 3.6Å; Q769-Y771 VanDerWaalsContact CD-OH 3.25Å; Q769-Y771 PolarHBondContact OE1-OH 3.36Å; Y771-Y773 PolarHBondContact O-N 2.84Å; Y771-Y773 VanDerWaalsContact O-N 3.17Å; Y771-L774 HydrophobicContact CD1-CD1 4.08Å; Y771-L774 WeakPolarHBondContact O-CB 3.38Å; Y771-L774 PolarHBondContact O-N 2.79Å; Y771-L774 VanDerWaalsContact O-N 3.17Å
772D58.4Low53.6Low132 Ų132117.4 Ų117.471%0.70663%0.626SS**G310 helixtrans-65-20.5-173.7-73.5-19.9000114.4L774 T775D772-L774 PolarHBondContact O-N 3.02Å; D772-T775 PolarHBondContact O-N 2.76Å; D772-T775 PolarHBondContact O-OG1 3.19Å
773Y63.6Low55.2Low118 Ų118119.1 Ų119.146%0.46362%0.619SS.*G310 helixtrans-72.5-16.5177.970.6-87.7000113.2Y771 T775 D776 W777Y771-Y773 PolarHBondContact O-N 2.84Å; Y771-Y773 VanDerWaalsContact O-N 3.17Å; Y773-T775 PolarHBondContact O-N 3.3Å; Y773-D776 PolarHBondContact O-N 3.29Å; Y773-W777 HydrophobicContact CD2-CZ2 4.37Å; Y773-W777 HydrophobicContact CE2-CZ2 4.27Å; Y773-W777 VanDerWaalsContact O-CD1 3.29Å
774L62Low56.5Low27 Ų27116.9 Ų116.914%0.14160%0.602CS.*G310 helixtrans-68.8-17.8177.7-68.5174.2000112.7Y771 D772 D776 A785Y771-L774 HydrophobicContact CD1-CD1 4.08Å; Y771-L774 WeakPolarHBondContact O-CB 3.38Å; Y771-L774 PolarHBondContact O-N 2.79Å; Y771-L774 VanDerWaalsContact O-N 3.17Å; D772-L774 PolarHBondContact O-N 3.02Å; L774-D776 VanDerWaalsContact C-N 3.32Å; L774-A785 HydrophobicContact CB-CB 3.94Å
775T64.5Low57.8Low74 Ų74111.8 Ų111.845%0.45457%0.572SS.*G310 helixtrans-71.5-26.7174.5-6.40000113D772 Y773 W777D772-T775 PolarHBondContact O-N 2.76Å; D772-T775 PolarHBondContact O-OG1 3.19Å; Y773-T775 PolarHBondContact O-N 3.3Å; T775-W777 VanDerWaalsContact C-N 3.32Å; T775-W777 PolarHBondContact O-N 2.9Å
776D65.8Low59.3Low140 Ų140112 Ų11275%0.74957%0.565SS**THydrogen-bonded Turntrans-82.1-11.7-177-69.8-22.9000113Y773 L774 G778Y773-D776 PolarHBondContact O-N 3.29Å; L774-D776 VanDerWaalsContact C-N 3.32Å; D776-G778 PolarHBondContact O-N 2.84Å
777W62.1Low59.9Low167 Ų167110 Ų11063%0.63355%0.552SS**THydrogen-bonded Turntrans-85.15.3-174.7-7230.8000113.3Y773 T775 F781Y773-W777 HydrophobicContact CD2-CZ2 4.37Å; Y773-W777 HydrophobicContact CE2-CZ2 4.27Å; Y773-W777 VanDerWaalsContact O-CD1 3.29Å; T775-W777 VanDerWaalsContact C-N 3.32Å; T775-W777 PolarHBondContact O-N 2.9Å; W777-F781 HydrophobicContact CB-CB 4.43Å; W777-F781 HydrophobicContact CB-CD2 3.91Å; W777-F781 HydrophobicContact CB-CG 4.31Å; W777-F781 VanDerWaalsContact O-CD2 3.29Å; W777-F781 WeakPolarHBondContact O-CD2 2.88Å
778G67Low60.9Low27 Ų27111.7 Ų111.728%0.27854%0.542SS..  trans101.6171172.600000114.2D776 R780 F781D776-G778 PolarHBondContact O-N 2.84Å; G778-R780 PolarHBondContact O-N 2.83Å; G778-F781 PolarHBondContact O-N 2.93Å; G778-F781 VanDerWaalsContact O-N 3.08Å
779P70.8Confident61.3Low125 Ų125106.4 Ų106.481%0.81253%0.526SS*.THydrogen-bonded Turntrans-64.1-17-163.722-32.4000114.8
780R59.3Low61.1Low217 Ų217102.8 Ų102.882%0.81952%0.522SS*.THydrogen-bonded Turntrans-75.5-23.8-179.9-53.5-169.7-85-154.4-0.3112.9G778G778-R780 PolarHBondContact O-N 2.83Å
781F58Low60.6Low76 Ų76104.3 Ų104.333%0.33353%0.527SS..THydrogen-bonded Turntrans-101.4-5.3-177-59.5-79.3000113.3W777 G778 K783 L784 A785W777-F781 HydrophobicContact CB-CB 4.43Å; W777-F781 HydrophobicContact CB-CD2 3.91Å; W777-F781 HydrophobicContact CB-CG 4.31Å; W777-F781 VanDerWaalsContact O-CD2 3.29Å; W777-F781 WeakPolarHBondContact O-CD2 2.88Å; G778-F781 PolarHBondContact O-N 2.93Å; G778-F781 VanDerWaalsContact O-N 3.08Å; F781-K783 VanDerWaalsContact C-N 3.26Å; F781-K783 PolarHBondContact O-N 3.2Å; F781-L784 HydrophobicContact CD1-CD1 4.36Å; F781-L784 WeakPolarHBondContact O-CB 3.08Å; F781-L784 PolarHBondContact O-N 3.1Å; F781-A785 PolarHBondContact O-N 3.28Å
782K65.3Low59.5Low113 Ų113109.1 Ų109.149%0.49156%0.558SS.*Hα-helixtrans-57.8-37.8177.8-170.1175179.6179.30112.9L784 A785 E786K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 3.33Å; K782-A785 PolarHBondContact O-N 2.6Å; K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 WeakPolarHBondContact O-CG 3.17Å; K782-E786 PolarHBondContact O-N 3.38Å
783K64.6Low58.5Low157 Ų157108.1 Ų108.168%0.68356%0.562SS**Hα-helixtrans-72.4-21.7179.1-152.2176.6-174.4-177.50113.1F781 M787F781-K783 VanDerWaalsContact C-N 3.26Å; F781-K783 PolarHBondContact O-N 3.2Å; K783-M787 WeakPolarHBondContact O-CB 3.39Å; K783-M787 PolarHBondContact O-N 3.26Å
784L59.8Low57.1Low80 Ų80108 Ų10842%0.41958%0.578SS.*Hα-helixtrans-81.3-42.9174-100.9141.8000110.5F781 K782 E786 M787 Y788F781-L784 HydrophobicContact CD1-CD1 4.36Å; F781-L784 WeakPolarHBondContact O-CB 3.08Å; F781-L784 PolarHBondContact O-N 3.1Å; K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 3.33Å; L784-E786 VanDerWaalsContact C-N 3.29Å; L784-E786 PolarHBondContact O-N 3.26Å; L784-M787 PolarHBondContact O-N 3.46Å; L784-M787 VanDerWaalsContact O-N 3.1Å; L784-Y788 HydrophobicContact CD2-CD2 4.05Å; L784-Y788 HydrophobicContact CD2-CE2 3.72Å; L784-Y788 WeakPolarHBondContact O-CD2 3.11Å; L784-Y788 PolarHBondContact O-N 3.34Å; L784-Y788 VanDerWaalsContact O-N 3.14Å
785A66.3Low55.7Low16 Ų16110.4 Ų110.413%0.13261%0.61CS.*Hα-helixtrans-58.2-41.4171.600000111.8L774 F781 K782 M787 G789L774-A785 HydrophobicContact CB-CB 3.94Å; F781-A785 PolarHBondContact O-N 3.28Å; K782-A785 PolarHBondContact O-N 2.6Å; A785-M787 VanDerWaalsContact C-N 3.3Å; A785-M787 PolarHBondContact O-N 3.44Å; A785-G789 PolarHBondContact O-N 2.79Å
786E67.8Low54.4Low130 Ų130111.3 Ų111.361%0.60762%0.624SS**Hα-helixtrans-69.2-21.8175.8-74.9171.1-176.600114K782 L784K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 WeakPolarHBondContact O-CG 3.17Å; K782-E786 PolarHBondContact O-N 3.38Å; L784-E786 VanDerWaalsContact C-N 3.29Å; L784-E786 PolarHBondContact O-N 3.26Å
787M60.3Low53.1Low128 Ų128111.9 Ų111.963%0.63163%0.627SS**Hα-helixtrans-91.2-30.1-176-156.6-178.6-57.300112.8K783 L784 A785K783-M787 WeakPolarHBondContact O-CB 3.39Å; K783-M787 PolarHBondContact O-N 3.26Å; L784-M787 PolarHBondContact O-N 3.46Å; L784-M787 VanDerWaalsContact O-N 3.1Å; A785-M787 VanDerWaalsContact C-N 3.3Å; A785-M787 PolarHBondContact O-N 3.44Å
788Y58.5Low51.9Low144 Ų144118.9 Ų118.957%0.56565%0.653SS**Hα-helixtrans-102.2-16.8178.4-70.7-83.2000113.4L784 A790L784-Y788 HydrophobicContact CD2-CD2 4.05Å; L784-Y788 HydrophobicContact CD2-CE2 3.72Å; L784-Y788 WeakPolarHBondContact O-CD2 3.11Å; L784-Y788 PolarHBondContact O-N 3.34Å; L784-Y788 VanDerWaalsContact O-N 3.14Å; Y788-A790 VanDerWaalsContact C-N 3.28Å; Y788-A790 PolarHBondContact O-N 3.33Å; Y788-A790 VanDerWaalsContact O-N 3.13Å
789G55.1Low51.1Low50 Ų50123.5 Ų123.552%0.51567%0.672SS.*SBendtrans-82.266.6168.100000111.7A785 T791A785-G789 PolarHBondContact O-N 2.79Å; G789-T791 PolarHBondContact O-N 3.42Å
790A42.6Very low50.1Low76 Ų76123.4 Ų123.463%0.62867%0.665SS**  trans-88.7107.7179.200000111.8Y788Y788-A790 VanDerWaalsContact C-N 3.28Å; Y788-A790 PolarHBondContact O-N 3.33Å; Y788-A790 VanDerWaalsContact O-N 3.13Å
791T40.7Very low49.6Very low117 Ų117118.2 Ų118.272%0.71866%0.656SS**  trans52.891.5132.360.20000117.9G789 S793G789-T791 PolarHBondContact O-N 3.42Å; T791-S793 PolarHBondContact O-N 3.48Å
792D36.6Very low49.1Very low177 Ų177120.7 Ų120.795%0.94768%0.675SS**  trans-71.9106.3143.5-98.7-20.3000108.4
793S37.5Very low48.1Very low112 Ų112121.2 Ų121.278%0.78369%0.687SS**  trans-10796.3167.1570000109.6T791T791-S793 PolarHBondContact O-N 3.48Å
794S34Very low47Very low114 Ų114118.8 Ų118.880%0.79769%0.687SS**  trans-144.497.3155.966.30000111.4
795G33.4Very low46.1Very low79 Ų79121.6 Ų121.681%0.81471%0.706SS**  trans84114.1133.300000120.4
796A36.1Very low44.5Very low92 Ų92129.7 Ų129.776%0.7675%0.75SS**  118.5134.8125.500000118.4
797L38.6Very low42.6Very low153 Ų153129.7 Ų129.780%0.80176%0.762SS**  trans79.297.7161.1-60.3153.9000114.1
798W37.4Very low40.9Very low314 Ų314129.8 Ų129.8100%1.18977%0.774SS**  -173.8070-95.677.7000109.5

Retrieved 798 of 798 residues in 409.1 ms (Link to these results)