A0A087Y7C7_POEFO Loading...

Family with sequence similarity 171 member B

AlphaFold DB , UniProt , Accession A0A087Y7C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 800 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.4Very low35.2Very low241 Ų241141.1 Ų141.1100%1.18782%0.815SS**  0175.10-72.4136.874.600108.3
2S30.6Very low34.8Very low116 Ų116141.6 Ų141.681%0.81181%0.812SS**  trans-45133.5179.3-59.30000113.2
3A36.1Very low34.4Very low98 Ų98143.2 Ų143.281%0.8181%0.813SS**  81.7150.980.300000112.4
4A38.2Very low34.3Very low83 Ų83143.3 Ų143.369%0.68681%0.809SS**  cis-148178.55.700000112.3
5D34.5Very low34Very low127 Ų127147.1 Ų147.168%0.67981%0.814SS**  trans19.3122.9156.1-65.7-60.2000121.2
6R35.4Very low33.6Very low233 Ų233148.1 Ų148.188%0.87982%0.817SS**  78.5112.864.5-78.2-171.9173.5158-12.8115.6
7S27.2Very low33.5Very low122 Ų122146.6 Ų146.685%0.85382%0.815SS**  trans-160.4150.8138.257.60000111.6
8L27.7Very low33.3Very low166 Ų166144.9 Ų144.987%0.86982%0.815SS**  trans-164.1160177.3-85.4175.7000107.4
9P56.6Low33.1Very low110 Ų110143.6 Ų143.671%0.71482%0.816SS**  cis-119.5-141.9-31.935.5-14.4000108.3
10P42Very low32.9Very low111 Ų111144.4 Ų144.472%0.72182%0.817SS**  cis-135.5150.545.436.6-16.6000117.7
11L30.9Very low32.8Very low145 Ų145144.6 Ų144.676%0.75982%0.815SS**  trans47.7106.6140-63.2168.1000121.5
12L29.4Very low32.7Very low147 Ų147140.8 Ų140.877%0.7780%0.798SS**  16.6115.1114.7-86.3155.8000117.6L14L12-L14 HydrophobicContact CD2-CG 4.41Å
13I30.5Very low32.4Very low163 Ų163140.1 Ų140.184%0.83679%0.792SS**  trans-114.4123.8149.8-64.4176.3000106.7
14L32.4Very low32.1Very low144 Ų144142.5 Ų142.575%0.75479%0.791SS**  trans-100.8151.3171.9-98.6167.3000110.4L12L12-L14 HydrophobicContact CD2-CG 4.41Å
15F30.2Very low31.7Very low200 Ų200145.9 Ų145.988%0.87780%0.797SS**  trans-66.6138.7-168.8-70.1-103000114.2
16L26.8Very low31.3Very low164 Ų164143.4 Ų143.486%0.85980%0.802SS**  trans-138.3143.8139.5-93.4170.4000108.1
17P32.5Very low31.6Very low123 Ų123138 Ų13880%0.79980%0.796SS**  trans-81.7144.5-169.231.9-34.9000113.5
18S29.6Very low31.6Very low116 Ų116139.4 Ų139.481%0.81179%0.794SS**  trans-74.2142.6-176.9-45.50000113.7
19S30Very low31.5Very low120 Ų120142.9 Ų142.984%0.83980%0.796SS**  trans-163.689.6152.6-84.10000112.2
20L29Very low30.2Very low159 Ų159142 Ų14283%0.83280%0.797SS**  trans179.8134.3142.5-99.6161.7000112.2
21L30.1Very low29.6Very low148 Ų148141.6 Ų141.678%0.77580%0.803SS**  trans58.9117.6154.7-68.6163.7000122.1
22I27.8Very low29.5Very low162 Ų162138.9 Ų138.983%0.83180%0.802SS**  trans-174.6119.6134.3-94.7150.6000105.2
23C24.3Very low29.5Very low101 Ų101141.4 Ų141.468%0.68281%0.81SS**  84.395.261-77.20000116.1
24L28.9Very low29.4Very low148 Ų148137.6 Ų137.678%0.77581%0.811SS**  trans63.6123.2135.4-68.8161.7000123.7
25D29.4Very low29.1Very low154 Ų154134.9 Ų134.982%0.82482%0.817SS**  trans73.7112133.8-69.6-6.2000125.2
26G27.8Very low28.9Very low75 Ų75129 Ų12977%0.77381%0.814SS**  trans106.9169.3132.600000118.5
27P40.2Very low29Very low119 Ų119129.4 Ų129.477%0.77382%0.816SS**  cis-144.9178.5-3.743.8-25.6000118.2
28L27.3Very low28.8Very low153 Ų153129.6 Ų129.680%0.80182%0.82SS**  trans76.1106.5144-83.6164.4000125.3
29R25.1Very low28.8Very low239 Ų239129.2 Ų129.290%0.90282%0.817SS**  164.6135.2122.6-93.3173.6163.5162.7-5.5109
30A29.6Very low29.5Very low90 Ų90129.3 Ų129.374%0.74482%0.815SS**  cis80.6134.828.600000115.5
31A29.2Very low29.9Very low103 Ų103127.7 Ų127.785%0.85181%0.814SS**  cis-171.7148.3-17.400000111.5
32A28.8Very low30Very low89 Ų89125.8 Ų125.874%0.73681%0.813SS**  trans-177.3127.7159.500000107.3
33E30.9Very low31Very low200 Ų200123.5 Ų123.594%0.93581%0.808SS**  64.9123.666.9-65.7-161.2154.400114.1
34G26.9Very low31.2Very low83 Ų83127.4 Ų127.486%0.85682%0.822SS**  cis-148.5-164.2-6.200000110
35G27Very low31.3Very low86 Ų86123.9 Ų123.989%0.88782%0.822SS**  cis149.8113.90.200000110.7
36G26.3Very low31.2Very low78 Ų78123.2 Ų123.280%0.80482%0.818SS**  trans172140.2178.400000113.8
37L29Very low31.6Very low172 Ų172126.6 Ų126.690%0.90182%0.818SS**  trans-117.5152.1179.9-58.5101.4000111.6
38S27.3Very low31Very low126 Ų126124.3 Ų124.388%0.88182%0.817SS**  177.9167.4126.7390000112.6
39S29.5Very low31.7Very low109 Ų109124.2 Ų124.276%0.76282%0.822SS**  trans-107.7163.1-172.847.40000112.6
40P45.5Very low32.1Very low121 Ų121118.1 Ų118.179%0.78681%0.813SS**  trans-83.4168.3-168.738-39.8000113.5
41P37.7Very low32.2Very low126 Ų126118.1 Ų118.182%0.81881%0.813SS**  -143.717691.540-24.7000116
42S32.4Very low32.3Very low107 Ų107118.1 Ų118.175%0.74881%0.813SS**  trans-78179.9166.856.10000111.6
43P48.3Very low32.6Very low114 Ų114120.4 Ų120.474%0.7482%0.818SS**  cis-143.8-159.315.345.1-24.4000116.5
44L29.1Very low32.7Very low183 Ų183113.6 Ų113.696%0.95880%0.801SS**  trans82.7136.2161.9-147.977.7000117.2
45G29.3Very low32.8Very low75 Ų75117.6 Ų117.677%0.77380%0.803SS**  trans145.453.8168.600000119.5
46D29.1Very low33.2Very low140 Ų140119.6 Ų119.675%0.74980%0.798SS**  trans36.5133.5144.9-142.847.7000124.4
47N34.5Very low33.7Very low145 Ų145121 Ų12178%0.77580%0.796SS**  trans41.8107.8149.6-71.7-41.9000122
48G28.6Very low34Very low72 Ų72116.7 Ų116.774%0.74279%0.785SS**  trans-165110.1158.300000113.3P50G48-P50 WeakPolarHBondContact O-CD 3.19Å
49V41.1Very low34.6Very low150 Ų150117.9 Ų117.991%0.90978%0.781SS**  trans-90.8125.8172.5176.30000110.2
50P35Very low35.1Very low112 Ų112117.2 Ų117.273%0.72778%0.781SS**  trans-119.7159.2147.936.3-28.4000111.8G48G48-P50 WeakPolarHBondContact O-CD 3.19Å
51A30.6Very low35.4Very low89 Ų89117.6 Ų117.674%0.73678%0.782SS**  trans-56.1139.4-176.200000113.4V53A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 3.14Å
52A30.3Very low36.6Very low104 Ų104115.9 Ų115.986%0.8676%0.763SS**  trans-66.692.4164.700000109.3G54A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.15Å
53V37Very low38.9Very low137 Ų137112.1 Ų112.183%0.8374%0.738SS**  trans-57.6116.9159.6175.90000105.9A51 D55A51-V53 VanDerWaalsContact C-N 3.32Å; A51-V53 PolarHBondContact O-N 3.14Å; V53-D55 PolarHBondContact O-N 2.96Å
54G31.4Very low40.8Very low57 Ų57110.9 Ų110.959%0.58872%0.723SS**  trans-62.2112.9-171.900000110.9A52 T56A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.15Å; G54-T56 PolarHBondContact O-N 3.42Å; G54-T56 PolarHBondContact O-OG1 3.24Å
55D29Very low43.6Very low167 Ų167102.3 Ų102.389%0.89368%0.678SS**  trans-58.390.1164-100.1-32.2000107.7V53 S57V53-D55 PolarHBondContact O-N 2.96Å; D55-S57 PolarHBondContact O-N 3.49Å
56T36.1Very low46.6Very low127 Ų12799.7 Ų99.778%0.77965%0.648SS**  trans-78.266.1173.7-51.10000106.6G54 A58G54-T56 PolarHBondContact O-N 3.42Å; G54-T56 PolarHBondContact O-OG1 3.24Å; T56-A58 PolarHBondContact O-N 3Å
57S36.3Very low49.5Very low109 Ų10993 Ų9376%0.76261%0.612SS**  trans-56.789.8153.6-178.20000105.5D55 L59D55-S57 PolarHBondContact O-N 3.49Å; S57-L59 PolarHBondContact O-N 3.27Å
58A36.3Very low52.4Low81 Ų8189.4 Ų89.467%0.66959%0.589SS**  trans-65.392.1178.800000106.4T56 A60T56-A58 PolarHBondContact O-N 3Å; A58-A60 PolarHBondContact O-N 3.43Å
59L38.7Very low55.5Low151 Ų15186 Ų8679%0.79155%0.554SS**  trans-49.2105.7174.6-166.392.5000106.1S57 T61S57-L59 PolarHBondContact O-N 3.27Å; L59-T61 PolarHBondContact O-N 2.72Å
60A41.3Very low58.1Low94 Ų9480.1 Ų80.178%0.77752%0.517SS*.  trans-61.5105.6-170.400000107.3A58 E62A58-A60 PolarHBondContact O-N 3.43Å; A60-E62 VanDerWaalsContact C-N 3.31Å; A60-E62 PolarHBondContact O-N 3.22Å
61T51.9Low61Low129 Ų12974.8 Ų74.879%0.79148%0.483SS*.  trans-69.792.1-167.931.60000108.6L59 A63L59-T61 PolarHBondContact O-N 2.72Å; T61-A63 PolarHBondContact O-N 2.67Å; T61-A63 VanDerWaalsContact O-N 3.15Å
62E63.1Low64Low91 Ų9175 Ų7543%0.42547%0.465SS..  trans-50.6124.7-179.4-167.6179.4-161.400107.9A60 Q64 P110 N112A60-E62 VanDerWaalsContact C-N 3.31Å; A60-E62 PolarHBondContact O-N 3.22Å; E62-Q64 PolarHBondContact O-N 3.41Å; E62-P110 HydrophobicContact CG-CB 3.7Å; E62-P110 WeakPolarHBondContact OE1-CB 3.13Å; E62-N112 PolarHBondContact OE1-ND2 3.27Å
63A79.9Confident67Low28 Ų2870.6 Ų70.623%0.23143%0.426CS..  trans-78.870.3-152.200000112.1T61 Y111 R138T61-A63 PolarHBondContact O-N 2.67Å; T61-A63 VanDerWaalsContact O-N 3.15Å; A63-Y111 WeakPolarHBondContact O-CB 3.44Å; A63-Y111 PolarHBondContact O-N 3.4Å; A63-Y111 VanDerWaalsContact O-N 3.11Å; A63-R138 PolarHBondContact O-NE 2.73Å; A63-R138 VanDerWaalsContact O-NE 3.17Å
64Q87.9Confident69.6Low87 Ų8766 Ų6641%0.40740%0.397SS..EExtended strand (participates in β ladder)trans-67.4149.2-172.2-68.8170.52100112.6E62 V109 P110 R138E62-Q64 PolarHBondContact O-N 3.41Å; Q64-V109 CarbonylContact C-O 3.58Å; Q64-V109 VanDerWaalsContact CA-O 3.26Å; Q64-V109 WeakPolarHBondContact CA-O 3.34Å; Q64-P110 HydrophobicContact CG-CB 4.31Å; Q64-R138 PolarHBondContact O-NE 3.4Å; Q64-R138 PolarHBondContact O-NH2 2.92Å
65F88.8Confident72.4Confident4 Ų468.1 Ų68.12%0.01840%0.398CS..EExtended strand (participates in β ladder)trans-129.4158170.270.8-82.1000110.1L67 V109 W133 R138 P139F65-L67 HydrophobicContact CD2-CB 4.4Å; F65-L67 HydrophobicContact CE2-CB 3.82Å; F65-L67 HydrophobicContact CE2-CD1 4.39Å; F65-V109 HydrophobicContact CD1-CB 4.22Å; F65-V109 WeakPolarHBondContact CD1-O 3.28Å; F65-V109 HydrophobicContact CE1-CB 3.57Å; F65-V109 HydrophobicContact CE1-CG1 3.65Å; F65-V109 WeakPolarHBondContact CE1-O 3.5Å; F65-V109 HydrophobicContact CE2-CB 4.4Å; F65-V109 HydrophobicContact CZ-CB 3.65Å; F65-V109 HydrophobicContact CZ-CG1 3.84Å; F65-V109 HydrophobicContact CZ-CG2 4.32Å; F65-V109 PolarHBondContact N-O 2.63Å; F65-V109 PolarHBondContact O-N 2.89Å; F65-W133 HydrophobicContact CD2-CH2 4.44Å; F65-W133 AromaticContact CE1-CH2 3.74Å; F65-W133 HydrophobicContact CE1-CH2 3.74Å; F65-W133 AromaticContact CE1-CZ3 3.75Å; F65-W133 HydrophobicContact CE1-CZ3 3.75Å; F65-W133 AromaticContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CZ2 4.14Å; F65-W133 HydrophobicContact CE2-CZ3 4.14Å; F65-W133 HydrophobicContact CZ-CE3 4.32Å; F65-W133 AromaticContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CZ2 4.1Å; F65-W133 AromaticContact CZ-CZ3 3.29Å; F65-W133 HydrophobicContact CZ-CZ3 3.29Å; F65-R138 HydrophobicContact CB-CG 4.5Å; F65-P139 HydrophobicContact CB-CG 4.26Å; F65-P139 WeakPolarHBondContact CB-O 3.36Å; F65-P139 HydrophobicContact CD1-CG 4.37Å; F65-P139 HydrophobicContact CD2-CG 3.52Å; F65-P139 HydrophobicContact CE2-CG 3.91Å; F65-P139 HydrophobicContact CG-CG 3.79Å
66S90.9Very high75.4Confident20 Ų2063.6 Ų63.614%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-87.6126176.150.30000110.8S142S66-S142 PolarHBondContact O-N 3.46Å
67L91.8Very high78.1Confident0 Ų064 Ų640%036%0.364CS..EExtended strand (participates in β ladder)trans-118.9111.5178.717666.3000109.1F65 V69 L107 V109 L119 S142 V144F65-L67 HydrophobicContact CD2-CB 4.4Å; F65-L67 HydrophobicContact CE2-CB 3.82Å; F65-L67 HydrophobicContact CE2-CD1 4.39Å; L67-V69 HydrophobicContact CD1-CG2 4.41Å; L67-V69 HydrophobicContact CD2-CG2 3.83Å; L67-V69 HydrophobicContact CG-CG2 3.75Å; L67-L107 HydrophobicContact CB-CB 4.34Å; L67-L107 PolarHBondContact N-O 2.96Å; L67-L107 PolarHBondContact O-N 3.42Å; L67-V109 HydrophobicContact CB-CG2 4.14Å; L67-V109 HydrophobicContact CD2-CG2 3.98Å; L67-L119 HydrophobicContact CD2-CD1 3.76Å; L67-L119 HydrophobicContact CD2-CD2 3.57Å; L67-L119 HydrophobicContact CD2-CG 4.3Å; L67-S142 CarbonylContact C-O 3.5Å; L67-S142 WeakPolarHBondContact CA-O 3.47Å; L67-V144 HydrophobicContact CD1-CB 4.41Å; L67-V144 HydrophobicContact CD1-CG2 3.87Å
68K93.7Very high80.8Confident69 Ų6967.4 Ų67.430%0.336%0.36SS..EExtended strand (participates in β ladder)trans-84.2120.4169.4-165.7-177.5-165.9-162.90109.2E104 L106 F141 S142 A143 V144K68-E104 WeakPolarHBondContact CE-OE1 3.33Å; K68-E104 WeakPolarHBondContact CE-OE2 3.44Å; K68-E104 IonicContact NZ-OE1 3.82Å; K68-E104 PolarHBondContact NZ-OE1 2.94Å; K68-E104 IonicContact NZ-OE2 2.7Å; K68-E104 PolarHBondContact NZ-OE2 2.88Å; K68-L106 HydrophobicContact CB-CD1 4.22Å; K68-F141 HydrophobicContact CB-CE2 3.92Å; K68-F141 HydrophobicContact CB-CZ 3.76Å; K68-F141 HydrophobicContact CD-CZ 4.36Å; K68-S142 PolarHBondContact N-O 3.43Å; K68-A143 HydrophobicContact CB-CB 4.37Å; K68-A143 CarbonylContact O-C 3.55Å; K68-A143 VanDerWaalsContact O-CA 3.32Å; K68-A143 WeakPolarHBondContact O-CA 3.37Å; K68-V144 PolarHBondContact O-N 3.48Å
69V94.4Very high83.6Confident0 Ų066.5 Ų66.50%035%0.348CS..EExtended strand (participates in β ladder)trans-112.3128.4174.4-173.70000109.5L67 V71 V85 E104 V105 L107 V144 L146L67-V69 HydrophobicContact CD1-CG2 4.41Å; L67-V69 HydrophobicContact CD2-CG2 3.83Å; L67-V69 HydrophobicContact CG-CG2 3.75Å; V69-V71 HydrophobicContact CG1-CG2 4.19Å; V69-V85 HydrophobicContact CB-CG1 4.32Å; V69-V85 HydrophobicContact CG1-CG1 4.06Å; V69-V85 HydrophobicContact CG1-CG2 4.15Å; V69-V85 HydrophobicContact CG2-CG1 4.22Å; V69-E104 CarbonylContact O-C 3.58Å; V69-E104 WeakPolarHBondContact O-CA 3.2Å; V69-V105 HydrophobicContact CB-CG1 3.89Å; V69-V105 PolarHBondContact N-O 2.57Å; V69-V105 PolarHBondContact O-N 2.96Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V69-V144 WeakPolarHBondContact CA-O 3.33Å; V69-L146 HydrophobicContact CG1-CB 4.46Å; V69-L146 HydrophobicContact CG1-CD1 3.58Å; V69-L146 HydrophobicContact CG1-CG 3.75Å
70L95.1Very high86.2Confident27 Ų2759.9 Ų59.914%0.14131%0.313CS..EExtended strand (participates in β ladder)trans-112.6109.5177.8168.961.6000108.3R72 E104 V144 T145 L146L70-R72 HydrophobicContact CD1-CG 4.21Å; L70-R72 HydrophobicContact CG-CG 4.22Å; L70-E104 HydrophobicContact CB-CG 4.43Å; L70-E104 HydrophobicContact CD1-CG 3.63Å; L70-V144 PolarHBondContact N-O 3.27Å; L70-T145 HydrophobicContact CG-CG2 4.42Å; L70-T145 CarbonylContact O-C 3.55Å; L70-T145 VanDerWaalsContact O-CA 3.26Å; L70-T145 WeakPolarHBondContact O-CA 3.19Å; L70-L146 PolarHBondContact O-N 3.2Å
71V95.8Very high88.7Confident0 Ų057.2 Ų57.20%029%0.291CS..EExtended strand (participates in β ladder)trans-95.9125.5-178.5-170.30000109.6V69 L80 A83 V85 T99 G103 L146 L148V69-V71 HydrophobicContact CG1-CG2 4.19Å; V71-L80 HydrophobicContact CG1-CB 4.18Å; V71-L80 HydrophobicContact CG1-CD1 4.32Å; V71-L80 PolarHBondContact O-N 2.94Å; V71-A83 HydrophobicContact CB-CB 4.32Å; V71-A83 HydrophobicContact CG1-CB 3.89Å; V71-A83 HydrophobicContact CG2-CB 4.47Å; V71-V85 HydrophobicContact CG2-CG2 3.54Å; V71-T99 HydrophobicContact CB-CG2 3.98Å; V71-T99 HydrophobicContact CG2-CG2 3.53Å; V71-G103 PolarHBondContact N-O 2.64Å; V71-L146 WeakPolarHBondContact CA-O 3.5Å; V71-L146 HydrophobicContact CG2-CB 4.32Å; V71-L146 HydrophobicContact CG2-CD1 4.39Å; V71-L148 HydrophobicContact CG1-CD1 3.63Å; V71-L148 HydrophobicContact CG1-CG 3.75Å
72R94.7Very high90.7Very high94 Ų9453.2 Ų53.236%0.35528%0.275SS..EExtended strand (participates in β ladder)trans-134.1155.6-178.8-69.6-179.2176.6-141.95.3112.1L70 R77 R78 L146 L147 L148L70-R72 HydrophobicContact CD1-CG 4.21Å; L70-R72 HydrophobicContact CG-CG 4.22Å; R72-R77 PolarHBondContact NH1-O 3.46Å; R72-R78 CarbonylContact C-O 3.57Å; R72-R78 WeakPolarHBondContact CA-O 3.46Å; R72-R78 WeakPolarHBondContact CB-O 3.38Å; R72-L146 PolarHBondContact N-O 3.08Å; R72-L147 HydrophobicContact CB-CD2 4.09Å; R72-L147 CarbonylContact O-C 3.57Å; R72-L147 WeakPolarHBondContact O-CA 3.26Å; R72-L148 PolarHBondContact O-N 3.44Å
73D93.6Very high92.2Very high10 Ų1048.9 Ų48.95%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-66.1128.5168179.3-21.2000109.7V75 T76 R77 R78 L80 Y126D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-V75 WeakPolarHBondContact OD1-CA 3.29Å; D73-V75 WeakPolarHBondContact OD1-CB 3.07Å; D73-V75 PolarHBondContact OD1-N 3.35Å; D73-T76 WeakPolarHBondContact CB-OG1 3.48Å; D73-T76 VanDerWaalsContact CG-N 3.31Å; D73-T76 PolarHBondContact OD1-N 3.35Å; D73-T76 VanDerWaalsContact OD2-CB 3.29Å; D73-T76 WeakPolarHBondContact OD2-CB 3.33Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.4Å; D73-T76 PolarHBondContact OD2-N 2.91Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; D73-R77 WeakPolarHBondContact O-CA 3.47Å; D73-R77 PolarHBondContact O-N 3.24Å; D73-R78 PolarHBondContact N-O 3.01Å; D73-L80 HydrophobicContact CB-CD1 4.33Å; D73-L80 HydrophobicContact CB-CD2 4.28Å; D73-L80 HydrophobicContact CB-CG 4.37Å; D73-Y126 HydrophobicContact CB-CE1 4.28Å
74L90.8Very high92.9Very high42 Ų4248.4 Ų48.422%0.2225%0.25CC..THydrogen-bonded Turntrans-64-32.7178.6177.260.3000112.9R77 L147 L148 L149L74-R77 PolarHBondContact O-NE 3.17Å; L74-L147 HydrophobicContact CB-CB 4.22Å; L74-L147 HydrophobicContact CD1-CB 3.9Å; L74-L147 HydrophobicContact CD1-CD1 3.93Å; L74-L147 HydrophobicContact CD1-CG 4.45Å; L74-L148 WeakPolarHBondContact CB-O 3.39Å; L74-L148 PolarHBondContact N-O 3.2Å; L74-L149 HydrophobicContact CD2-CB 4.04Å; L74-L149 HydrophobicContact CD2-CD1 4.11Å
75V90Very high93.2Very high100 Ų10044.2 Ų44.261%0.60623%0.23SC*.THydrogen-bonded Turntrans-88.9-58.2-177.6-177.70000110.5D73 P150D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-V75 WeakPolarHBondContact OD1-CA 3.29Å; D73-V75 WeakPolarHBondContact OD1-CB 3.07Å; D73-V75 PolarHBondContact OD1-N 3.35Å; V75-P150 HydrophobicContact CG2-CG 4.03Å
76T92.4Very high93.4Very high73 Ų7345.2 Ų45.245%0.44824%0.236SC..THydrogen-bonded Turntrans-85.1-11.3-174.473.90000114D73 R78D73-T76 WeakPolarHBondContact CB-OG1 3.48Å; D73-T76 VanDerWaalsContact CG-N 3.31Å; D73-T76 PolarHBondContact OD1-N 3.35Å; D73-T76 VanDerWaalsContact OD2-CB 3.29Å; D73-T76 WeakPolarHBondContact OD2-CB 3.33Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.4Å; D73-T76 PolarHBondContact OD2-N 2.91Å; D73-T76 PolarHBondContact OD2-OG1 3.07Å; T76-R78 PolarHBondContact O-N 3.46Å
77R92.2Very high93.4Very high136 Ų13644.3 Ų44.351%0.51323%0.229SC..  trans58.99.2-177.7-55-59.6-179.4144.20.8115.6R72 D73 L74R72-R77 PolarHBondContact NH1-O 3.46Å; D73-R77 WeakPolarHBondContact O-CA 3.47Å; D73-R77 PolarHBondContact O-N 3.24Å; L74-R77 PolarHBondContact O-NE 3.17Å
78R94.1Very high93.3Very high180 Ų18045 Ų4568%0.67923%0.232SC*.  trans-71.4149.5175-67.3179.6177-168.8-1.8111.1R72 D73 T76R72-R78 CarbonylContact C-O 3.57Å; R72-R78 WeakPolarHBondContact CA-O 3.46Å; R72-R78 WeakPolarHBondContact CB-O 3.38Å; D73-R78 PolarHBondContact N-O 3.01Å; T76-R78 PolarHBondContact O-N 3.46Å
79P94.4Very high92.9Very high62 Ų6242.2 Ų42.240%0.40322%0.22SC..BIsolated β-bridgetrans-61.6147.817028-34.9000111.7D102P79-D102 WeakPolarHBondContact CB-O 3.47Å
80L94.3Very high92.4Very high11 Ų1146.6 Ų46.66%0.05824%0.244CC..  trans-116.393.2177.9-67.2178000110.3V71 D73 T99 K123 Y126 L148V71-L80 HydrophobicContact CG1-CB 4.18Å; V71-L80 HydrophobicContact CG1-CD1 4.32Å; V71-L80 PolarHBondContact O-N 2.94Å; D73-L80 HydrophobicContact CB-CD1 4.33Å; D73-L80 HydrophobicContact CB-CD2 4.28Å; D73-L80 HydrophobicContact CB-CG 4.37Å; L80-T99 PolarHBondContact O-OG1 3.11Å; L80-K123 HydrophobicContact CB-CD 4.29Å; L80-Y126 HydrophobicContact CD1-CD1 4.02Å; L80-Y126 HydrophobicContact CD1-CE1 3.71Å; L80-Y126 HydrophobicContact CD1-CE2 4.39Å; L80-Y126 HydrophobicContact CD1-CG 4.49Å; L80-Y126 HydrophobicContact CD2-CE1 4.23Å; L80-Y126 HydrophobicContact CD2-CE2 4.17Å; L80-Y126 WeakPolarHBondContact CD2-OH 3.49Å; L80-L148 HydrophobicContact CD1-CB 3.95Å; L80-L148 HydrophobicContact CD1-CD1 4Å; L80-L148 HydrophobicContact CD1-CG 4.24Å
81A93.8Very high91.6Very high39 Ų3946.1 Ų46.132%0.32224%0.241SC..THydrogen-bonded Turntrans-63149.2168.200000112A83 G100 K123A81-A83 VanDerWaalsContact C-N 3.25Å; A81-A83 PolarHBondContact O-N 3.19Å; A81-G100 VanDerWaalsContact CA-O 3.28Å; A81-G100 WeakPolarHBondContact CA-O 3.44Å; A81-G100 WeakPolarHBondContact CB-O 3.46Å; A81-K123 PolarHBondContact O-NZ 2.83Å
82G92.8Very high91Very high44 Ų4450.1 Ų50.145%0.45427%0.265SS..THydrogen-bonded Turntrans65.520.7177.900000115.2T99G82-T99 PolarHBondContact N-O 3.16Å; G82-T99 PolarHBondContact N-OG1 3.22Å; G82-T99 VanDerWaalsContact N-OG1 3.12Å
83A94.7Very high90.4Very high0 Ų048.4 Ų48.40%027%0.268CS..  trans-82138.9167.100000109.3V71 A81 Q98 T99 N122 K123 L148V71-A83 HydrophobicContact CB-CB 4.32Å; V71-A83 HydrophobicContact CG1-CB 3.89Å; V71-A83 HydrophobicContact CG2-CB 4.47Å; A81-A83 VanDerWaalsContact C-N 3.25Å; A81-A83 PolarHBondContact O-N 3.19Å; A83-Q98 CarbonylContact O-C 3.59Å; A83-Q98 VanDerWaalsContact O-CA 3.29Å; A83-Q98 WeakPolarHBondContact O-CA 3.2Å; A83-T99 HydrophobicContact CB-CG2 4.45Å; A83-T99 PolarHBondContact N-OG1 3.15Å; A83-T99 PolarHBondContact O-N 3.49Å; A83-T99 PolarHBondContact O-OG1 2.96Å; A83-N122 CarbonylContact C-O 3.57Å; A83-N122 WeakPolarHBondContact CA-O 3.47Å; A83-K123 HydrophobicContact CB-CB 4.04Å; A83-K123 HydrophobicContact CB-CD 4.11Å; A83-K123 HydrophobicContact CB-CG 4.47Å; A83-L148 HydrophobicContact CB-CD1 4.4Å
84S94.6Very high90Very high18 Ų1854 Ų5413%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-79.2141.8167.974.80000110.3D86 A97 N122S84-D86 WeakPolarHBondContact CB-OD2 3.46Å; S84-D86 PolarHBondContact OG-OD2 3.45Å; S84-A97 WeakPolarHBondContact CA-O 3.39Å; S84-N122 PolarHBondContact N-O 3.01Å; S84-N122 PolarHBondContact O-N 2.88Å
85V94.6Very high89.6Confident0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-121.5103.7169.1-176.10000107.4V69 V71 A97 T99 V105 L107 L120 L146V69-V85 HydrophobicContact CB-CG1 4.32Å; V69-V85 HydrophobicContact CG1-CG1 4.06Å; V69-V85 HydrophobicContact CG1-CG2 4.15Å; V69-V85 HydrophobicContact CG2-CG1 4.22Å; V71-V85 HydrophobicContact CG2-CG2 3.54Å; V85-A97 PolarHBondContact N-O 2.94Å; V85-A97 PolarHBondContact O-N 3.12Å; V85-T99 HydrophobicContact CG2-CG2 4.3Å; V85-V105 HydrophobicContact CB-CG1 4.12Å; V85-V105 HydrophobicContact CG2-CG1 3.82Å; V85-L107 HydrophobicContact CB-CD1 4.19Å; V85-L107 HydrophobicContact CG1-CD1 3.63Å; V85-L120 WeakPolarHBondContact CA-O 3.41Å; V85-L146 HydrophobicContact CG1-CD1 4.12Å; V85-L146 HydrophobicContact CG2-CD1 4.34Å
86D92.6Very high89.7Confident24 Ų2452.5 Ų52.513%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-99.2133.4-174.7-61.6-75.4000110.1S84 Y88 S96 L120S84-D86 WeakPolarHBondContact CB-OD2 3.46Å; S84-D86 PolarHBondContact OG-OD2 3.45Å; D86-Y88 HydrophobicContact CB-CE2 3.62Å; D86-S96 WeakPolarHBondContact OD1-CB 3.41Å; D86-S96 PolarHBondContact OD1-OG 2.95Å; D86-L120 HydrophobicContact CB-CB 4.25Å; D86-L120 PolarHBondContact N-O 3.35Å; D86-L120 PolarHBondContact O-N 2.89Å
87V91.5Very high89.7Confident1 Ų150.4 Ų50.41%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-113.7112.7-170.2-174.20000110.2L89 K94 S95 L107 V109 L117 L119V87-L89 HydrophobicContact CG1-CD1 4.18Å; V87-K94 PolarHBondContact O-N 2.73Å; V87-S95 PolarHBondContact N-O 3.3Å; V87-L107 HydrophobicContact CG2-CD1 3.75Å; V87-L107 HydrophobicContact CG2-CD2 4.12Å; V87-L107 HydrophobicContact CG2-CG 4.45Å; V87-V109 HydrophobicContact CG1-CG1 4.13Å; V87-V109 HydrophobicContact CG1-CG2 4.16Å; V87-L117 HydrophobicContact CG1-CD1 3.72Å; V87-L117 HydrophobicContact CG1-CG 4.43Å; V87-L119 HydrophobicContact CG1-CD2 4.32Å; V87-L119 HydrophobicContact CG2-CD2 4.07Å
88Y88.6Confident89.9Confident14 Ų1450.8 Ų50.86%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-106.9125.6-180-58.8-101.6000110.3D86 T92 L117 T118 L120 L278 T280D86-Y88 HydrophobicContact CB-CE2 3.62Å; Y88-T92 WeakPolarHBondContact CA-O 3.13Å; Y88-L117 CarbonylContact O-C 3.58Å; Y88-L117 WeakPolarHBondContact O-CA 3.28Å; Y88-T118 PolarHBondContact N-O 2.79Å; Y88-T118 PolarHBondContact O-N 3.21Å; Y88-L120 HydrophobicContact CD2-CB 4.38Å; Y88-L120 HydrophobicContact CE2-CB 3.82Å; Y88-L120 HydrophobicContact CE2-CD2 4.01Å; Y88-L278 PolarHBondContact OH-O 2.8Å; Y88-T280 VanDerWaalsContact CD1-C 3.5Å
89L87.3Confident89.9Confident12 Ų1242.7 Ų42.76%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-107.6124.1166.4-84.886.2000108.6V87 H91 T92 K94 V109 P110 V115 L117V87-L89 HydrophobicContact CG1-CD1 4.18Å; L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.87Å; L89-T92 PolarHBondContact N-O 3.23Å; L89-T92 WeakPolarHBondContact O-CB 3.43Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-K94 HydrophobicContact CB-CG 4.1Å; L89-K94 HydrophobicContact CD1-CB 4.03Å; L89-K94 HydrophobicContact CD1-CG 3.95Å; L89-V109 HydrophobicContact CD1-CG1 4.39Å; L89-P110 HydrophobicContact CD1-CG 4.09Å; L89-P110 HydrophobicContact CD2-CG 3.91Å; L89-V115 HydrophobicContact CB-CG1 3.99Å; L89-V115 HydrophobicContact CD2-CG1 4.13Å; L89-V115 HydrophobicContact CG-CG1 4.22Å; L89-L117 HydrophobicContact CD1-CD1 3.35Å; L89-L117 HydrophobicContact CG-CD1 3.69Å
90N81.9Confident89.8Confident91 Ų9141.6 Ų41.649%0.48726%0.258SS..THydrogen-bonded Turntrans43.752.4-176.2-167.124.4000112.5T92 V115 S116N90-T92 PolarHBondContact O-N 3.34Å; N90-T92 PolarHBondContact O-OG1 3.02Å; N90-V115 HydrophobicContact CB-CG1 4.04Å; N90-S116 PolarHBondContact N-O 3.01Å
91H79.3Confident89.7Confident18 Ų1849.7 Ų49.78%0.08330%0.295CS..THydrogen-bonded Turntrans62.312178.2-48.2-69000115.9L89 I218 T280 A282L89-H91 VanDerWaalsContact C-N 3.26Å; L89-H91 PolarHBondContact O-N 2.87Å; H91-I218 HydrophobicContact CB-CD1 4.04Å; H91-T280 WeakPolarHBondContact CA-O 3.42Å; H91-T280 WeakPolarHBondContact O-CA 3.32Å; H91-A282 VanDerWaalsContact ND1-CB 3.27Å; H91-A282 WeakPolarHBondContact ND1-CB 3.38Å
92T82.9Confident89.6Confident83 Ų8353.6 Ų53.651%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-108.4124.4173.6-51.40000109Y88 L89 N90Y88-T92 WeakPolarHBondContact CA-O 3.13Å; L89-T92 PolarHBondContact N-O 3.23Å; L89-T92 WeakPolarHBondContact O-CB 3.43Å; L89-T92 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.34Å; N90-T92 PolarHBondContact O-OG1 3.02Å
93S82.6Confident89.6Confident59 Ų5951.5 Ų51.541%0.41329%0.289SS..EExtended strand (participates in β ladder)trans-63.6137.4173.2-175.40000110.7
94K84.2Confident89.6Confident126 Ų12654.7 Ų54.755%0.54830%0.304SS..EExtended strand (participates in β ladder)trans-129.2-27.9-174.9-76.9-68.3-166.9165.60114V87 L89V87-K94 PolarHBondContact O-N 2.73Å; L89-K94 HydrophobicContact CB-CG 4.1Å; L89-K94 HydrophobicContact CD1-CB 4.03Å; L89-K94 HydrophobicContact CD1-CG 3.95Å
95S84.1Confident89.6Confident42 Ų4254.7 Ų54.729%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-153.8150.8177-170.60000109.7V87V87-S95 PolarHBondContact N-O 3.3Å
96S90.6Very high89.6Confident70 Ų7059.3 Ų59.349%0.4933%0.327SS..EExtended strand (participates in β ladder)trans-142.9135.2173-1760000107.6D86D86-S96 WeakPolarHBondContact OD1-CB 3.41Å; D86-S96 PolarHBondContact OD1-OG 2.95Å
97A93.1Very high89.5Confident28 Ų2858.3 Ų58.323%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-145.1156.2174.400000110.3S84 V85 V105 L107S84-A97 WeakPolarHBondContact CA-O 3.39Å; V85-A97 PolarHBondContact N-O 2.94Å; V85-A97 PolarHBondContact O-N 3.12Å; A97-V105 HydrophobicContact CB-CG2 3.57Å; A97-L107 HydrophobicContact CB-CD2 3.72Å
98Q95.5Very high89.5Confident145 Ų14565.5 Ų65.568%0.67835%0.349SS*.EExtended strand (participates in β ladder)trans-101.8149.3177-66.9-179.4-1.100111.2A83 V105A83-Q98 CarbonylContact O-C 3.59Å; A83-Q98 VanDerWaalsContact O-CA 3.29Å; A83-Q98 WeakPolarHBondContact O-CA 3.2Å; Q98-V105 WeakPolarHBondContact O-CG2 3.35Å
99T94.7Very high89.5Confident9 Ų964.9 Ų64.96%0.05535%0.347CS..  trans-76139.417649.90000113V71 L80 G82 A83 V85 G103 E104 V105V71-T99 HydrophobicContact CB-CG2 3.98Å; V71-T99 HydrophobicContact CG2-CG2 3.53Å; L80-T99 PolarHBondContact O-OG1 3.11Å; G82-T99 PolarHBondContact N-O 3.16Å; G82-T99 PolarHBondContact N-OG1 3.22Å; G82-T99 VanDerWaalsContact N-OG1 3.12Å; A83-T99 HydrophobicContact CB-CG2 4.45Å; A83-T99 PolarHBondContact N-OG1 3.15Å; A83-T99 PolarHBondContact O-N 3.49Å; A83-T99 PolarHBondContact O-OG1 2.96Å; V85-T99 HydrophobicContact CG2-CG2 4.3Å; T99-G103 VanDerWaalsContact CG2-O 3.29Å; T99-G103 WeakPolarHBondContact CG2-O 2.98Å; T99-E104 WeakPolarHBondContact CA-O 3.38Å; T99-V105 HydrophobicContact CG2-CB 4.16Å; T99-V105 HydrophobicContact CG2-CG1 4.09Å
100G92.9Very high89.5Confident40 Ų4065.2 Ų65.241%0.41235%0.35SS..  trans-71.2-175169.300000112.9A81 D102 G103 E104A81-G100 VanDerWaalsContact CA-O 3.28Å; A81-G100 WeakPolarHBondContact CA-O 3.44Å; A81-G100 WeakPolarHBondContact CB-O 3.46Å; G100-D102 VanDerWaalsContact C-N 3.3Å; G100-D102 PolarHBondContact O-N 3.04Å; G100-G103 WeakPolarHBondContact O-CA 3.4Å; G100-G103 PolarHBondContact O-N 2.95Å; G100-E104 PolarHBondContact N-O 2.92Å
101E92.2Very high89.6Confident180 Ų18062.5 Ų62.584%0.84133%0.333SS*.THydrogen-bonded Turntrans-57.5-39.3-174-60.6-172.4168.600113.2G103E101-G103 PolarHBondContact O-N 3.48Å; E101-G103 VanDerWaalsContact O-N 3.08Å
102D91.5Very high89.7Confident121 Ų12164.6 Ų64.665%0.64734%0.344SS*.THydrogen-bonded Turntrans-70.23.6174.3-64.6-61.9000114.6P79 G100 E104P79-D102 WeakPolarHBondContact CB-O 3.47Å; G100-D102 VanDerWaalsContact C-N 3.3Å; G100-D102 PolarHBondContact O-N 3.04Å; D102-E104 HydrophobicContact CB-CG 4.22Å; D102-E104 PolarHBondContact O-N 2.74Å
103G91.8Very high89.4Confident0 Ų065.2 Ų65.20%035%0.35CS..SBendtrans70.314.9-174.800000113.4V71 T99 G100 E101V71-G103 PolarHBondContact N-O 2.64Å; T99-G103 VanDerWaalsContact CG2-O 3.29Å; T99-G103 WeakPolarHBondContact CG2-O 2.98Å; G100-G103 WeakPolarHBondContact O-CA 3.4Å; G100-G103 PolarHBondContact O-N 2.95Å; E101-G103 PolarHBondContact O-N 3.48Å; E101-G103 VanDerWaalsContact O-N 3.08Å
104E95Very high88.9Confident67 Ų6766.5 Ų66.531%0.31337%0.373SS..EExtended strand (participates in β ladder)trans-103.3149-177.1-62.2-165.3137.800112.4K68 V69 L70 T99 G100 D102K68-E104 WeakPolarHBondContact CE-OE1 3.33Å; K68-E104 WeakPolarHBondContact CE-OE2 3.44Å; K68-E104 IonicContact NZ-OE1 3.82Å; K68-E104 PolarHBondContact NZ-OE1 2.94Å; K68-E104 IonicContact NZ-OE2 2.7Å; K68-E104 PolarHBondContact NZ-OE2 2.88Å; V69-E104 CarbonylContact O-C 3.58Å; V69-E104 WeakPolarHBondContact O-CA 3.2Å; L70-E104 HydrophobicContact CB-CG 4.43Å; L70-E104 HydrophobicContact CD1-CG 3.63Å; T99-E104 WeakPolarHBondContact CA-O 3.38Å; G100-E104 PolarHBondContact N-O 2.92Å; D102-E104 HydrophobicContact CB-CG 4.22Å; D102-E104 PolarHBondContact O-N 2.74Å
105V95.2Very high88.6Confident18 Ų1863.4 Ų63.411%0.10936%0.364CS..EExtended strand (participates in β ladder)trans-144.8145.8170.966.70000110.3V69 V85 A97 Q98 T99 L107V69-V105 HydrophobicContact CB-CG1 3.89Å; V69-V105 PolarHBondContact N-O 2.57Å; V69-V105 PolarHBondContact O-N 2.96Å; V85-V105 HydrophobicContact CB-CG1 4.12Å; V85-V105 HydrophobicContact CG2-CG1 3.82Å; A97-V105 HydrophobicContact CB-CG2 3.57Å; Q98-V105 WeakPolarHBondContact O-CG2 3.35Å; T99-V105 HydrophobicContact CG2-CB 4.16Å; T99-V105 HydrophobicContact CG2-CG1 4.09Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å
106L94.1Very high88.3Confident97 Ų9763.1 Ų63.151%0.50836%0.362SS..EExtended strand (participates in β ladder)trans-110.6119.3174.8-171.470.2000109.4K68K68-L106 HydrophobicContact CB-CD1 4.22Å
107L91.6Very high88.1Confident4 Ų460.2 Ų60.22%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-111137.9-177.4-73.8161.7000110.5L67 V69 V85 V87 A97 V105 V109L67-L107 HydrophobicContact CB-CB 4.34Å; L67-L107 PolarHBondContact N-O 2.96Å; L67-L107 PolarHBondContact O-N 3.42Å; V69-L107 HydrophobicContact CG2-CD1 3.98Å; V85-L107 HydrophobicContact CB-CD1 4.19Å; V85-L107 HydrophobicContact CG1-CD1 3.63Å; V87-L107 HydrophobicContact CG2-CD1 3.75Å; V87-L107 HydrophobicContact CG2-CD2 4.12Å; V87-L107 HydrophobicContact CG2-CG 4.45Å; A97-L107 HydrophobicContact CB-CD2 3.72Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å; L107-V109 HydrophobicContact CB-CG2 4.1Å
108W90.2Very high87.8Confident151 Ų15159.1 Ų59.157%0.57233%0.332SS*.EExtended strand (participates in β ladder)trans-96.3114.2167.1-68.6100.8000108.8
109V88.5Confident87.6Confident1 Ų152.2 Ų52.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-117.3126.9-172.2-178.90000109.6Q64 F65 L67 V87 L89 L107 Y111 L117Q64-V109 CarbonylContact C-O 3.58Å; Q64-V109 VanDerWaalsContact CA-O 3.26Å; Q64-V109 WeakPolarHBondContact CA-O 3.34Å; F65-V109 HydrophobicContact CD1-CB 4.22Å; F65-V109 WeakPolarHBondContact CD1-O 3.28Å; F65-V109 HydrophobicContact CE1-CB 3.57Å; F65-V109 HydrophobicContact CE1-CG1 3.65Å; F65-V109 WeakPolarHBondContact CE1-O 3.5Å; F65-V109 HydrophobicContact CE2-CB 4.4Å; F65-V109 HydrophobicContact CZ-CB 3.65Å; F65-V109 HydrophobicContact CZ-CG1 3.84Å; F65-V109 HydrophobicContact CZ-CG2 4.32Å; F65-V109 PolarHBondContact N-O 2.63Å; F65-V109 PolarHBondContact O-N 2.89Å; L67-V109 HydrophobicContact CB-CG2 4.14Å; L67-V109 HydrophobicContact CD2-CG2 3.98Å; V87-V109 HydrophobicContact CG1-CG1 4.13Å; V87-V109 HydrophobicContact CG1-CG2 4.16Å; L89-V109 HydrophobicContact CD1-CG1 4.39Å; L107-V109 HydrophobicContact CB-CG2 4.1Å; V109-Y111 PolarHBondContact O-N 2.79Å; V109-L117 HydrophobicContact CG1-CD1 3.66Å; V109-L117 HydrophobicContact CG1-CD2 3.93Å; V109-L117 HydrophobicContact CG1-CG 4.49Å
110P87Confident87.5Confident19 Ų1951.9 Ų51.912%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-68.3123.9176.326-31.9000111.1E62 Q64 L89 N112E62-P110 HydrophobicContact CG-CB 3.7Å; E62-P110 WeakPolarHBondContact OE1-CB 3.13Å; Q64-P110 HydrophobicContact CG-CB 4.31Å; L89-P110 HydrophobicContact CD1-CG 4.09Å; L89-P110 HydrophobicContact CD2-CG 3.91Å; P110-N112 PolarHBondContact O-N 2.7Å
111Y84.2Confident87.4Confident35 Ų3550 Ų5014%0.13728%0.278CS..  trans-83.4109.4172.7175.7-96.1000110.4A63 V109 P113 T135 T136 K137 R138A63-Y111 WeakPolarHBondContact O-CB 3.44Å; A63-Y111 PolarHBondContact O-N 3.4Å; A63-Y111 VanDerWaalsContact O-N 3.11Å; V109-Y111 PolarHBondContact O-N 2.79Å; Y111-P113 HydrophobicContact CE1-CB 3.97Å; Y111-P113 HydrophobicContact CE1-CG 4.24Å; Y111-T135 HydrophobicContact CD2-CG2 4.44Å; Y111-T135 HydrophobicContact CE2-CG2 4.08Å; Y111-T136 VanDerWaalsContact OH-C 3.22Å; Y111-T136 PolarHBondContact OH-O 3.23Å; Y111-K137 VanDerWaalsContact CE2-C 3.46Å; Y111-K137 WeakPolarHBondContact OH-CA 3.41Å; Y111-K137 PolarHBondContact OH-N 3.03Å; Y111-R138 HydrophobicContact CD1-CB 3.71Å; Y111-R138 HydrophobicContact CD1-CG 4.27Å; Y111-R138 HydrophobicContact CD2-CB 4.11Å; Y111-R138 HydrophobicContact CE1-CB 3.95Å; Y111-R138 HydrophobicContact CE2-CB 4.33Å; Y111-R138 HydrophobicContact CG-CB 3.78Å; Y111-R138 HydrophobicContact CG-CG 4.05Å; Y111-R138 VanDerWaalsContact CZ-N 3.35Å
112N81.8Confident87.5Confident61 Ų6143.9 Ų43.933%0.32625%0.251SS..  trans-114.6109.8171-75.8-64.5000108.9E62 P110 G114 V115E62-N112 PolarHBondContact OE1-ND2 3.27Å; P110-N112 PolarHBondContact O-N 2.7Å; N112-G114 PolarHBondContact O-N 3.09Å; N112-V115 HydrophobicContact CB-CB 4Å; N112-V115 HydrophobicContact CB-CG2 3.7Å; N112-V115 WeakPolarHBondContact O-CB 3.38Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.15Å
113P76.2Confident87.6Confident96 Ų9640.7 Ų40.762%0.62323%0.231SC*.THydrogen-bonded Turntrans-64.8132-174.625.9-33.6000111.4Y111 V115Y111-P113 HydrophobicContact CE1-CB 3.97Å; Y111-P113 HydrophobicContact CE1-CG 4.24Å; P113-V115 VanDerWaalsContact C-N 3.31Å
114G72.6Confident87.5Confident87 Ų8748 Ų4890%0.89727%0.266SS*.THydrogen-bonded Turntrans83.7-3.2-176.300000115N112N112-G114 PolarHBondContact O-N 3.09Å
115V77.7Confident87.2Confident61 Ų6146.5 Ų46.537%0.3727%0.268SS..PPolyproline II helixtrans-87.1135.3170.2173.70000110L89 N90 N112 P113L89-V115 HydrophobicContact CB-CG1 3.99Å; L89-V115 HydrophobicContact CD2-CG1 4.13Å; L89-V115 HydrophobicContact CG-CG1 4.22Å; N90-V115 HydrophobicContact CB-CG1 4.04Å; N112-V115 HydrophobicContact CB-CB 4Å; N112-V115 HydrophobicContact CB-CG2 3.7Å; N112-V115 WeakPolarHBondContact O-CB 3.38Å; N112-V115 PolarHBondContact O-N 2.88Å; N112-V115 VanDerWaalsContact O-N 3.15Å; P113-V115 VanDerWaalsContact C-N 3.31Å
116S77.5Confident87.1Confident36 Ų3647.5 Ų47.525%0.25227%0.27SS..PPolyproline II helixtrans-71.6129.5169.745.60000110.8N90N90-S116 PolarHBondContact N-O 3.01Å
117L85.9Confident87Confident8 Ų842.9 Ų42.94%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-96.8146.4164-162.475.9000109.1V87 Y88 L89 V109 L119 W133V87-L117 HydrophobicContact CG1-CD1 3.72Å; V87-L117 HydrophobicContact CG1-CG 4.43Å; Y88-L117 CarbonylContact O-C 3.58Å; Y88-L117 WeakPolarHBondContact O-CA 3.28Å; L89-L117 HydrophobicContact CD1-CD1 3.35Å; L89-L117 HydrophobicContact CG-CD1 3.69Å; V109-L117 HydrophobicContact CG1-CD1 3.66Å; V109-L117 HydrophobicContact CG1-CD2 3.93Å; V109-L117 HydrophobicContact CG1-CG 4.49Å; L117-L119 HydrophobicContact CD2-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CG 4.34Å; L117-W133 HydrophobicContact CB-CB 4.3Å; L117-W133 HydrophobicContact CB-CE3 3.9Å; L117-W133 WeakPolarHBondContact CB-O 3.47Å; L117-W133 HydrophobicContact CD2-CB 4.37Å; L117-W133 HydrophobicContact CD2-CD2 4.15Å; L117-W133 HydrophobicContact CD2-CE3 3.39Å; L117-W133 HydrophobicContact CD2-CZ3 3.93Å; L117-W133 HydrophobicContact CG-CE3 4.26Å; L117-W133 PolarHBondContact N-O 3.32Å; L117-W133 PolarHBondContact O-N 3.41Å
118T87.6Confident87Confident5 Ų543.3 Ų43.33%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-137.6129.2162.9-61.40000109Y88 P130Y88-T118 PolarHBondContact N-O 2.79Å; Y88-T118 PolarHBondContact O-N 3.21Å; T118-P130 HydrophobicContact CG2-CB 3.97Å
119L90.8Very high86.9Confident0 Ų037.4 Ų37.40%023%0.229CC..EExtended strand (participates in β ladder)trans-97.8121.7174.4-57.9171.2000107.3L67 V87 L117 L131 V144L67-L119 HydrophobicContact CD2-CD1 3.76Å; L67-L119 HydrophobicContact CD2-CD2 3.57Å; L67-L119 HydrophobicContact CD2-CG 4.3Å; V87-L119 HydrophobicContact CG1-CD2 4.32Å; V87-L119 HydrophobicContact CG2-CD2 4.07Å; L117-L119 HydrophobicContact CD2-CD2 4.01Å; L117-L119 HydrophobicContact CD2-CG 4.34Å; L119-L131 PolarHBondContact N-O 3.37Å; L119-L131 PolarHBondContact O-N 3.22Å; L119-V144 HydrophobicContact CD1-CG1 4.32Å
120L92.3Very high86.9Confident2 Ų237.7 Ų37.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-106.7114.5176173.658.6000108.8V85 D86 Y88 P128 P130 F276 L278V85-L120 WeakPolarHBondContact CA-O 3.41Å; D86-L120 HydrophobicContact CB-CB 4.25Å; D86-L120 PolarHBondContact N-O 3.35Å; D86-L120 PolarHBondContact O-N 2.89Å; Y88-L120 HydrophobicContact CD2-CB 4.38Å; Y88-L120 HydrophobicContact CE2-CB 3.82Å; Y88-L120 HydrophobicContact CE2-CD2 4.01Å; L120-P128 HydrophobicContact CD1-CB 3.96Å; L120-P130 HydrophobicContact CD1-CB 4.46Å; L120-F276 HydrophobicContact CD1-CE1 3.66Å; L120-F276 HydrophobicContact CD1-CZ 3.76Å; L120-F276 HydrophobicContact CD2-CE1 3.86Å; L120-F276 HydrophobicContact CD2-CZ 4.06Å; L120-F276 HydrophobicContact CG-CE1 4.41Å; L120-F276 HydrophobicContact CG-CZ 4.46Å; L120-L278 HydrophobicContact CD2-CD2 3.96Å
121G92.5Very high86.9Confident0 Ų038.7 Ų38.70%024%0.235CC..EExtended strand (participates in β ladder)trans-86.7127.5166.100000110T129 L148G121-T129 PolarHBondContact N-O 3.33Å; G121-T129 VanDerWaalsContact N-O 3.07Å; G121-T129 PolarHBondContact O-N 2.85Å; G121-L148 WeakPolarHBondContact O-CD2 3.32Å
122N93.1Very high86.9Confident52 Ų5238.2 Ų38.228%0.27824%0.236SC..EExtended strand (participates in β ladder)trans-138.8139.8-179172.752000111A83 S84A83-N122 CarbonylContact C-O 3.57Å; A83-N122 WeakPolarHBondContact CA-O 3.47Å; S84-N122 PolarHBondContact N-O 3.01Å; S84-N122 PolarHBondContact O-N 2.88Å
123K93.1Very high86.7Confident55 Ų5537.8 Ų37.824%0.23923%0.23CC..EExtended strand (participates in β ladder)trans-159.8142.9177-175.9169.9174.8167.70109.7L80 A81 A83 G125 Y126 L148L80-K123 HydrophobicContact CB-CD 4.29Å; A81-K123 PolarHBondContact O-NZ 2.83Å; A83-K123 HydrophobicContact CB-CB 4.04Å; A83-K123 HydrophobicContact CB-CD 4.11Å; A83-K123 HydrophobicContact CB-CG 4.47Å; K123-G125 PolarHBondContact O-N 3.17Å; K123-Y126 HydrophobicContact CB-CD2 4.1Å; K123-Y126 HydrophobicContact CB-CG 4.5Å; K123-Y126 HydrophobicContact CD-CD2 4.09Å; K123-Y126 HydrophobicContact CD-CE2 4.21Å; K123-Y126 HydrophobicContact CG-CD2 4.02Å; K123-Y126 PolarHBondContact O-N 2.82Å; K123-L148 HydrophobicContact CB-CD1 3.94Å
124E90.2Very high86.7Confident154 Ų15438.2 Ų38.272%0.7224%0.236SC*.THydrogen-bonded Turntrans-57.1134.6173.7-171.2176.4-175.500111.4Y126E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 WeakPolarHBondContact O-CD2 3.48Å
125G89.6Confident86.6Confident35 Ų3536.5 Ų36.536%0.36121%0.208SC..THydrogen-bonded Turntrans77.66-17300000115.3K123 P150 H151K123-G125 PolarHBondContact O-N 3.17Å; G125-P150 WeakPolarHBondContact O-CA 3.45Å; G125-H151 VanDerWaalsContact C-ND1 3.26Å; G125-H151 PolarHBondContact O-N 2.87Å
126Y92.7Very high86.6Confident38 Ų3839.9 Ų39.915%0.14923%0.229CC..EExtended strand (participates in β ladder)trans-129146.2176.2-67.3-99.8000112.5D73 L80 K123 E124 P128 L148 L149 P150 H151D73-Y126 HydrophobicContact CB-CE1 4.28Å; L80-Y126 HydrophobicContact CD1-CD1 4.02Å; L80-Y126 HydrophobicContact CD1-CE1 3.71Å; L80-Y126 HydrophobicContact CD1-CE2 4.39Å; L80-Y126 HydrophobicContact CD1-CG 4.49Å; L80-Y126 HydrophobicContact CD2-CE1 4.23Å; L80-Y126 HydrophobicContact CD2-CE2 4.17Å; L80-Y126 WeakPolarHBondContact CD2-OH 3.49Å; K123-Y126 HydrophobicContact CB-CD2 4.1Å; K123-Y126 HydrophobicContact CB-CG 4.5Å; K123-Y126 HydrophobicContact CD-CD2 4.09Å; K123-Y126 HydrophobicContact CD-CE2 4.21Å; K123-Y126 HydrophobicContact CG-CD2 4.02Å; K123-Y126 PolarHBondContact O-N 2.82Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 WeakPolarHBondContact O-CD2 3.48Å; Y126-P128 WeakPolarHBondContact O-CD 3.29Å; Y126-L148 HydrophobicContact CD1-CB 3.59Å; Y126-L148 HydrophobicContact CE1-CB 4.48Å; Y126-L148 HydrophobicContact CG-CB 4.04Å; Y126-L148 HydrophobicContact CG-CD1 4.5Å; Y126-L149 CarbonylContact C-O 3.46Å; Y126-L149 WeakPolarHBondContact CA-O 3.48Å; Y126-P150 HydrophobicContact CD1-CB 4.02Å; Y126-P150 HydrophobicContact CE1-CB 3.76Å; Y126-P150 HydrophobicContact CE1-CG 4.27Å; Y126-H151 VanDerWaalsContact C-ND1 3.27Å; Y126-H151 PolarHBondContact N-ND1 2.88Å; Y126-H151 PolarHBondContact O-CE1 2.87Å; Y126-H151 PolarHBondContact O-ND1 3.5Å
127V92.1Very high86.7Confident1 Ų145 Ų451%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-67.7124.9176.2-178.10000110T129 L149 T201 P203 Y309V127-T129 PolarHBondContact O-N 2.88Å; V127-T129 PolarHBondContact O-OG1 2.9Å; V127-L149 HydrophobicContact CB-CB 4.38Å; V127-L149 HydrophobicContact CG2-CB 4.4Å; V127-L149 HydrophobicContact CG2-CD2 4.26Å; V127-L149 HydrophobicContact CG2-CG 4.36Å; V127-L149 PolarHBondContact N-O 2.88Å; V127-T201 HydrophobicContact CG2-CG2 3.81Å; V127-P203 HydrophobicContact CG1-CG 4.27Å; V127-Y309 HydrophobicContact CG1-CD1 4.08Å; V127-Y309 HydrophobicContact CG1-CD2 4.46Å; V127-Y309 HydrophobicContact CG1-CE1 3.72Å; V127-Y309 HydrophobicContact CG1-CE2 4.15Å; V127-Y309 HydrophobicContact CG1-CG 4.44Å
128P91Very high86.6Confident13 Ų1351.2 Ų51.28%0.08427%0.269CS..EExtended strand (participates in β ladder)trans-58.1123.2176.1-23.833.5000111.1L120 Y126 P130 F276 L278 Y309L120-P128 HydrophobicContact CD1-CB 3.96Å; Y126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-P130 WeakPolarHBondContact O-CD 3.47Å; P128-F276 HydrophobicContact CB-CE1 4.34Å; P128-L278 HydrophobicContact CB-CD2 3.99Å; P128-L278 HydrophobicContact CG-CD2 4.12Å; P128-Y309 WeakPolarHBondContact O-CE1 3.41Å
129T88.9Confident86.3Confident26 Ų2652.3 Ų52.316%0.1628%0.277CS..EExtended strand (participates in β ladder)trans-116.3101.9-169.8-58.50000110.7G121 V127G121-T129 PolarHBondContact N-O 3.33Å; G121-T129 VanDerWaalsContact N-O 3.07Å; G121-T129 PolarHBondContact O-N 2.85Å; V127-T129 PolarHBondContact O-N 2.88Å; V127-T129 PolarHBondContact O-OG1 2.9Å
130P88.3Confident85.8Confident7 Ų760.2 Ų60.25%0.04532%0.317CS..EExtended strand (participates in β ladder)trans-79.5124.8173.631-33.6000111.3T118 L120 P128 T215 F276T118-P130 HydrophobicContact CG2-CB 3.97Å; L120-P130 HydrophobicContact CD1-CB 4.46Å; P128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-T215 HydrophobicContact CG-CG2 4.17Å; P130-F276 HydrophobicContact CB-CE2 3.7Å; P130-F276 HydrophobicContact CB-CZ 3.75Å; P130-F276 HydrophobicContact CG-CD2 4.18Å; P130-F276 HydrophobicContact CG-CE2 3.58Å; P130-F276 HydrophobicContact CG-CZ 3.88Å
131L86.5Confident85.4Confident40 Ų4065.7 Ų65.721%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-109.6109.1169.3179.163.7000109.3L119 V144 L146 N213L119-L131 PolarHBondContact N-O 3.37Å; L119-L131 PolarHBondContact O-N 3.22Å; L131-V144 HydrophobicContact CD2-CG1 3.39Å; L131-L146 HydrophobicContact CB-CD2 3.59Å; L131-L146 HydrophobicContact CD2-CD2 3.65Å; L131-L146 HydrophobicContact CG-CD2 4.28Å; L131-N213 HydrophobicContact CD1-CB 4.47Å
132P83.4Confident85.1Confident25 Ų2566.7 Ų66.716%0.16235%0.348CS..EExtended strand (participates in β ladder)trans-65.6146.5169.927-32.8000110.8P216P132-P216 HydrophobicContact CB-CG 4.21Å
133W78.4Confident85Confident52 Ų5267.4 Ų67.420%0.19736%0.361CS..EExtended strand (participates in β ladder)trans-140.6133.7174.6-174.380.4000110.4F65 L117 T135 P139F65-W133 HydrophobicContact CD2-CH2 4.44Å; F65-W133 AromaticContact CE1-CH2 3.74Å; F65-W133 HydrophobicContact CE1-CH2 3.74Å; F65-W133 AromaticContact CE1-CZ3 3.75Å; F65-W133 HydrophobicContact CE1-CZ3 3.75Å; F65-W133 AromaticContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CH2 3.53Å; F65-W133 HydrophobicContact CE2-CZ2 4.14Å; F65-W133 HydrophobicContact CE2-CZ3 4.14Å; F65-W133 HydrophobicContact CZ-CE3 4.32Å; F65-W133 AromaticContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CH2 3.12Å; F65-W133 HydrophobicContact CZ-CZ2 4.1Å; F65-W133 AromaticContact CZ-CZ3 3.29Å; F65-W133 HydrophobicContact CZ-CZ3 3.29Å; L117-W133 HydrophobicContact CB-CB 4.3Å; L117-W133 HydrophobicContact CB-CE3 3.9Å; L117-W133 WeakPolarHBondContact CB-O 3.47Å; L117-W133 HydrophobicContact CD2-CB 4.37Å; L117-W133 HydrophobicContact CD2-CD2 4.15Å; L117-W133 HydrophobicContact CD2-CE3 3.39Å; L117-W133 HydrophobicContact CD2-CZ3 3.93Å; L117-W133 HydrophobicContact CG-CE3 4.26Å; L117-W133 PolarHBondContact N-O 3.32Å; L117-W133 PolarHBondContact O-N 3.41Å; W133-T135 HydrophobicContact CE3-CG2 4.2Å; W133-T135 HydrophobicContact CH2-CG2 3.31Å; W133-T135 HydrophobicContact CZ2-CG2 3.64Å; W133-T135 HydrophobicContact CZ3-CG2 3.61Å; W133-P139 HydrophobicContact CH2-CG 3.83Å; W133-P139 HydrophobicContact CZ2-CG 4.06Å
134S75.6Confident84.9Confident106 Ų10665.9 Ų65.974%0.74136%0.356SS*.  trans-140.7139.917764.90000109.8
135T72.3Confident85Confident51 Ų5162.1 Ų62.131%0.31334%0.344SS..  trans-147.2142.4173.4170.70000110Y111 W133 K137Y111-T135 HydrophobicContact CD2-CG2 4.44Å; Y111-T135 HydrophobicContact CE2-CG2 4.08Å; W133-T135 HydrophobicContact CE3-CG2 4.2Å; W133-T135 HydrophobicContact CH2-CG2 3.31Å; W133-T135 HydrophobicContact CZ2-CG2 3.64Å; W133-T135 HydrophobicContact CZ3-CG2 3.61Å; T135-K137 VanDerWaalsContact C-N 3.33Å; T135-K137 WeakPolarHBondContact CG2-O 3.38Å; T135-K137 PolarHBondContact OG1-N 3Å; T135-K137 PolarHBondContact OG1-O 3.47Å
136T75.9Confident85.1Confident132 Ų13260.6 Ų60.681%0.8133%0.328SS*.SBendtrans-86.2-6.3179.354.70000113.2Y111Y111-T136 VanDerWaalsContact OH-C 3.22Å; Y111-T136 PolarHBondContact OH-O 3.23Å
137K80.7Confident85Confident143 Ų14361.1 Ų61.162%0.62233%0.333SS*.SBendtrans-135.7146.8177.7-62.8-179.4-179.1178.30109.9Y111 T135 P139Y111-K137 VanDerWaalsContact CE2-C 3.46Å; Y111-K137 WeakPolarHBondContact OH-CA 3.41Å; Y111-K137 PolarHBondContact OH-N 3.03Å; T135-K137 VanDerWaalsContact C-N 3.33Å; T135-K137 WeakPolarHBondContact CG2-O 3.38Å; T135-K137 PolarHBondContact OG1-N 3Å; T135-K137 PolarHBondContact OG1-O 3.47Å; K137-P139 WeakPolarHBondContact O-CD 3.29Å
138R82.6Confident85Confident138 Ų13861.1 Ų61.152%0.52133%0.333SS..  trans-65.6119.1171.3-179.2172.5170.5-152.21.6108.8A63 Q64 F65 Y111A63-R138 PolarHBondContact O-NE 2.73Å; A63-R138 VanDerWaalsContact O-NE 3.17Å; Q64-R138 PolarHBondContact O-NE 3.4Å; Q64-R138 PolarHBondContact O-NH2 2.92Å; F65-R138 HydrophobicContact CB-CG 4.5Å; Y111-R138 HydrophobicContact CD1-CB 3.71Å; Y111-R138 HydrophobicContact CD1-CG 4.27Å; Y111-R138 HydrophobicContact CD2-CB 4.11Å; Y111-R138 HydrophobicContact CE1-CB 3.95Å; Y111-R138 HydrophobicContact CE2-CB 4.33Å; Y111-R138 HydrophobicContact CG-CB 3.78Å; Y111-R138 HydrophobicContact CG-CG 4.05Å; Y111-R138 VanDerWaalsContact CZ-N 3.35Å
139P81.9Confident85.1Confident28 Ų2862.1 Ų62.118%0.18234%0.337CS..  trans-72.3151.8170.533.2-35.1000109.5F65 W133 K137F65-P139 HydrophobicContact CB-CG 4.26Å; F65-P139 WeakPolarHBondContact CB-O 3.36Å; F65-P139 HydrophobicContact CD1-CG 4.37Å; F65-P139 HydrophobicContact CD2-CG 3.52Å; F65-P139 HydrophobicContact CE2-CG 3.91Å; F65-P139 HydrophobicContact CG-CG 3.79Å; W133-P139 HydrophobicContact CH2-CG 3.83Å; W133-P139 HydrophobicContact CZ2-CG 4.06Å; K137-P139 WeakPolarHBondContact O-CD 3.29Å
140I81.4Confident85.3Confident167 Ų16762.8 Ų62.886%0.85634%0.342SS*.SBendtrans-79.5-38.8173.8-60.3172000109.8
141F83.1Confident85.5Confident117 Ų11763.7 Ų63.751%0.51335%0.345SS..EExtended strand (participates in β ladder)trans-145.1148.1171.7171.8-103.1000107.8K68 A143K68-F141 HydrophobicContact CB-CE2 3.92Å; K68-F141 HydrophobicContact CB-CZ 3.76Å; K68-F141 HydrophobicContact CD-CZ 4.36Å; F141-A143 HydrophobicContact CE1-CB 3.87Å; F141-A143 HydrophobicContact CZ-CB 4.11Å
142S87.1Confident85.7Confident20 Ų2063.6 Ų63.614%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-137.1144.5172.3-166.40000110.4S66 L67 K68S66-S142 PolarHBondContact O-N 3.46Å; L67-S142 CarbonylContact C-O 3.5Å; L67-S142 WeakPolarHBondContact CA-O 3.47Å; K68-S142 PolarHBondContact N-O 3.43Å
143A90.8Very high86.1Confident67 Ų6767.3 Ų67.355%0.55436%0.363SS*.EExtended strand (participates in β ladder)trans-130.4132176.500000110K68 F141K68-A143 HydrophobicContact CB-CB 4.37Å; K68-A143 CarbonylContact O-C 3.55Å; K68-A143 VanDerWaalsContact O-CA 3.32Å; K68-A143 WeakPolarHBondContact O-CA 3.37Å; F141-A143 HydrophobicContact CE1-CB 3.87Å; F141-A143 HydrophobicContact CZ-CB 4.11Å
144V90.8Very high86.7Confident23 Ų2364.9 Ų64.914%0.13936%0.355CS..EExtended strand (participates in β ladder)trans-137.9138.4-173.2173.30000109.6L67 K68 V69 L70 L119 L131L67-V144 HydrophobicContact CD1-CB 4.41Å; L67-V144 HydrophobicContact CD1-CG2 3.87Å; K68-V144 PolarHBondContact O-N 3.48Å; V69-V144 WeakPolarHBondContact CA-O 3.33Å; L70-V144 PolarHBondContact N-O 3.27Å; L119-V144 HydrophobicContact CD1-CG1 4.32Å; L131-V144 HydrophobicContact CD2-CG1 3.39Å
145T91.8Very high87.4Confident75 Ų7562.3 Ų62.346%0.4633%0.333SS..EExtended strand (participates in β ladder)trans-103.7122.7171.3-57.70000109.9L70 L147L70-T145 HydrophobicContact CG-CG2 4.42Å; L70-T145 CarbonylContact O-C 3.55Å; L70-T145 VanDerWaalsContact O-CA 3.26Å; L70-T145 WeakPolarHBondContact O-CA 3.19Å; T145-L147 HydrophobicContact CG2-CD2 4.04Å; T145-L147 HydrophobicContact CG2-CG 4.4Å
146L91.5Very high88.4Confident4 Ų462.1 Ų62.12%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-94.9135.4169.4-68177.4000109.3V69 L70 V71 R72 V85 L131V69-L146 HydrophobicContact CG1-CB 4.46Å; V69-L146 HydrophobicContact CG1-CD1 3.58Å; V69-L146 HydrophobicContact CG1-CG 3.75Å; L70-L146 PolarHBondContact O-N 3.2Å; V71-L146 WeakPolarHBondContact CA-O 3.5Å; V71-L146 HydrophobicContact CG2-CB 4.32Å; V71-L146 HydrophobicContact CG2-CD1 4.39Å; R72-L146 PolarHBondContact N-O 3.08Å; V85-L146 HydrophobicContact CG1-CD1 4.12Å; V85-L146 HydrophobicContact CG2-CD1 4.34Å; L131-L146 HydrophobicContact CB-CD2 3.59Å; L131-L146 HydrophobicContact CD2-CD2 3.65Å; L131-L146 HydrophobicContact CG-CD2 4.28Å
147L91.4Very high89.1Confident49 Ų4962.7 Ų62.726%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-116.7107.3-179.2-63.7172.6000109.2R72 L74 T145R72-L147 HydrophobicContact CB-CD2 4.09Å; R72-L147 CarbonylContact O-C 3.57Å; R72-L147 WeakPolarHBondContact O-CA 3.26Å; L74-L147 HydrophobicContact CB-CB 4.22Å; L74-L147 HydrophobicContact CD1-CB 3.9Å; L74-L147 HydrophobicContact CD1-CD1 3.93Å; L74-L147 HydrophobicContact CD1-CG 4.45Å; T145-L147 HydrophobicContact CG2-CD2 4.04Å; T145-L147 HydrophobicContact CG2-CG 4.4Å
148L92.4Very high89.6Confident0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-90.8128.7-179.8-58.7-172000110.6V71 R72 L74 L80 A83 G121 K123 Y126 P150V71-L148 HydrophobicContact CG1-CD1 3.63Å; V71-L148 HydrophobicContact CG1-CG 3.75Å; R72-L148 PolarHBondContact O-N 3.44Å; L74-L148 WeakPolarHBondContact CB-O 3.39Å; L74-L148 PolarHBondContact N-O 3.2Å; L80-L148 HydrophobicContact CD1-CB 3.95Å; L80-L148 HydrophobicContact CD1-CD1 4Å; L80-L148 HydrophobicContact CD1-CG 4.24Å; A83-L148 HydrophobicContact CB-CD1 4.4Å; G121-L148 WeakPolarHBondContact O-CD2 3.32Å; K123-L148 HydrophobicContact CB-CD1 3.94Å; Y126-L148 HydrophobicContact CD1-CB 3.59Å; Y126-L148 HydrophobicContact CE1-CB 4.48Å; Y126-L148 HydrophobicContact CG-CB 4.04Å; Y126-L148 HydrophobicContact CG-CD1 4.5Å; L148-P150 WeakPolarHBondContact O-CD 3.46Å
149L92.3Very high89.9Confident35 Ų3557.1 Ų57.118%0.18330%0.299CS..PPolyproline II helixtrans-81.6119.3173.717565.9000109.5L74 Y126 V127 T201 P203L74-L149 HydrophobicContact CD2-CB 4.04Å; L74-L149 HydrophobicContact CD2-CD1 4.11Å; Y126-L149 CarbonylContact C-O 3.46Å; Y126-L149 WeakPolarHBondContact CA-O 3.48Å; V127-L149 HydrophobicContact CB-CB 4.38Å; V127-L149 HydrophobicContact CG2-CB 4.4Å; V127-L149 HydrophobicContact CG2-CD2 4.26Å; V127-L149 HydrophobicContact CG2-CG 4.36Å; V127-L149 PolarHBondContact N-O 2.88Å; L149-T201 HydrophobicContact CD2-CG2 3.67Å; L149-T201 HydrophobicContact CG-CG2 4.13Å; L149-P203 HydrophobicContact CD2-CB 3.65Å; L149-P203 HydrophobicContact CD2-CG 3.84Å
150P92.7Very high90.2Very high39 Ų3964.6 Ų64.625%0.25333%0.332SS..BIsolated β-bridgetrans-62.4144.7172.924.2-33.7000111.6V75 G125 Y126 L148 S152V75-P150 HydrophobicContact CG2-CG 4.03Å; G125-P150 WeakPolarHBondContact O-CA 3.45Å; Y126-P150 HydrophobicContact CD1-CB 4.02Å; Y126-P150 HydrophobicContact CE1-CB 3.76Å; Y126-P150 HydrophobicContact CE1-CG 4.27Å; L148-P150 WeakPolarHBondContact O-CD 3.46Å; P150-S152 PolarHBondContact O-N 2.82Å
151H92.2Very high90.6Very high26 Ų2661.5 Ų61.512%0.1232%0.317CS..PPolyproline II helixtrans-69.6128.7178.1-79.2111.9000111.8G125 Y126 Y199 T201 S237 Q239G125-H151 VanDerWaalsContact C-ND1 3.26Å; G125-H151 PolarHBondContact O-N 2.87Å; Y126-H151 VanDerWaalsContact C-ND1 3.27Å; Y126-H151 PolarHBondContact N-ND1 2.88Å; Y126-H151 PolarHBondContact O-CE1 2.87Å; Y126-H151 PolarHBondContact O-ND1 3.5Å; H151-Y199 HydrophobicContact CB-CD1 3.87Å; H151-Y199 HydrophobicContact CB-CG 4.25Å; H151-T201 WeakPolarHBondContact CA-OG1 3.26Å; H151-T201 PolarHBondContact CD2-OG1 3.37Å; H151-S237 WeakPolarHBondContact NE2-CB 3.25Å; H151-S237 PolarHBondContact NE2-OG 2.85Å; H151-Q239 PolarHBondContact CE1-OE1 3.02Å; H151-Q239 PolarHBondContact NE2-OE1 3.21Å
152S91Very high91.1Very high39 Ų3956 Ų5627%0.27329%0.293SS..PPolyproline II helixtrans-84.5126.1168.854.90000111P150 G154 L200 T201P150-S152 PolarHBondContact O-N 2.82Å; S152-G154 PolarHBondContact O-N 2.97Å; S152-L200 CarbonylContact O-C 3.52Å; S152-L200 PolarHBondContact O-N 3.01Å; S152-L200 PolarHBondContact OG-O 2.83Å; S152-T201 PolarHBondContact N-OG1 3Å; S152-T201 WeakPolarHBondContact OG-CA 3.38Å; S152-T201 PolarHBondContact OG-OG1 2.83Å
153Q91.7Very high91.4Very high102 Ų10255 Ų5548%0.47729%0.287SS..BIsolated β-bridgetrans-57.9134.2171.8-174.2178.8-11.800110.4N168 M197 Y199Q153-N168 WeakPolarHBondContact O-CB 3.42Å; Q153-M197 HydrophobicContact CG-CE 4.47Å; Q153-Y199 HydrophobicContact CB-CD1 4.35Å; Q153-Y199 HydrophobicContact CB-CE1 4.33Å
154G91.1Very high91.5Very high2 Ų253.7 Ų53.72%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-100.6158.4174.400000111.7S152 T166 A198S152-G154 PolarHBondContact O-N 2.97Å; G154-T166 CarbonylContact C-O 3.57Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å; G154-A198 PolarHBondContact N-O 2.9Å
155N91.8Very high91.7Very high52 Ų5252.6 Ų52.628%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-83.3127.8171-66.2-31.5000108.6I165 T166 N168N155-I165 CarbonylContact O-C 3.58Å; N155-I165 WeakPolarHBondContact O-CA 3.37Å; N155-T166 PolarHBondContact N-O 3.4Å; N155-T166 PolarHBondContact O-N 3.47Å; N155-N168 PolarHBondContact ND2-OD1 2.92Å
156I91.9Very high91.7Very high47 Ų4749.4 Ų49.424%0.24124%0.244CC..EExtended strand (participates in β ladder)trans-106.9127.8177.4-173.4172.2000110.6L158 V163 I165 L196 A198 L240I156-L158 HydrophobicContact CD1-CD2 4.01Å; I156-L158 HydrophobicContact CG1-CD2 4.13Å; I156-L158 HydrophobicContact CG1-CG 4.41Å; I156-V163 HydrophobicContact CD1-CG1 4.14Å; I156-V163 HydrophobicContact CG1-CG1 4.08Å; I156-I165 HydrophobicContact CG1-CG1 4.44Å; I156-L196 HydrophobicContact CD1-CB 4.27Å; I156-A198 HydrophobicContact CB-CB 3.99Å; I156-A198 HydrophobicContact CD1-CB 4.43Å; I156-L240 HydrophobicContact CD1-CD1 3.75Å
157W91.4Very high91.6Very high144 Ų14452.3 Ų52.355%0.54525%0.254SS..EExtended strand (participates in β ladder)trans-117126.7176.1-5287.9000109F159 V163 L164W157-F159 HydrophobicContact CB-CE2 3.88Å; W157-F159 HydrophobicContact CB-CZ 4Å; W157-V163 WeakPolarHBondContact O-CA 3.22Å; W157-L164 HydrophobicContact CB-CB 4.26Å; W157-L164 PolarHBondContact N-O 2.86Å; W157-L164 PolarHBondContact O-N 2.87Å
158L90.6Very high91Very high68 Ų6854.9 Ų54.936%0.35627%0.268SS..EExtended strand (participates in β ladder)trans-111.2102.9-178.1-61.1175.1000108.7I156 V163 L185 I193 L196I156-L158 HydrophobicContact CD1-CD2 4.01Å; I156-L158 HydrophobicContact CG1-CD2 4.13Å; I156-L158 HydrophobicContact CG1-CG 4.41Å; L158-V163 HydrophobicContact CD2-CB 4.44Å; L158-V163 HydrophobicContact CD2-CG1 3.98Å; L158-V163 HydrophobicContact CD2-CG2 3.89Å; L158-L185 HydrophobicContact CD2-CD1 4.28Å; L158-I193 HydrophobicContact CD1-CG2 3.27Å; L158-L196 HydrophobicContact CD1-CD1 4.17Å; L158-L196 HydrophobicContact CD2-CD1 4.43Å
159F90.1Very high90Very high95 Ų9559.1 Ų59.142%0.41729%0.29SS..  trans-85.7-175.2173-57.3-75.3000110.3W157 S162 L164 K182W157-F159 HydrophobicContact CB-CE2 3.88Å; W157-F159 HydrophobicContact CB-CZ 4Å; F159-S162 WeakPolarHBondContact CA-O 3.49Å; F159-S162 WeakPolarHBondContact CB-O 3.12Å; F159-S162 PolarHBondContact N-O 2.86Å; F159-L164 HydrophobicContact CE2-CB 3.86Å; F159-L164 HydrophobicContact CE2-CD2 4.27Å; F159-K182 WeakPolarHBondContact O-CD 3.32Å; F159-K182 PolarHBondContact O-NZ 3.45Å
160E87.2Confident88.3Confident185 Ų18562.9 Ų62.986%0.86432%0.317SS*.SBendtrans-71.2-47.6176.7-169.8165-148.500111.1K182E160-K182 WeakPolarHBondContact O-CD 3.44Å
161D89.9Confident86.5Confident102 Ų10268.3 Ų68.355%0.54534%0.344SS..SBendtrans-90.2-25.6-177.972.7-37.9000114.2K179 K182D161-K179 IonicContact OD2-NZ 2.71Å; D161-K182 WeakPolarHBondContact O-CB 3.39Å; D161-K182 PolarHBondContact O-N 2.87Å
162S92.9Very high85.1Confident2 Ų269.3 Ų69.31%0.01435%0.354CS..EExtended strand (participates in β ladder)trans-152.7161.7-15860.80000115.1F159 K179 F180F159-S162 WeakPolarHBondContact CA-O 3.49Å; F159-S162 WeakPolarHBondContact CB-O 3.12Å; F159-S162 PolarHBondContact N-O 2.86Å; S162-K179 WeakPolarHBondContact OG-CE 3.39Å; S162-K179 PolarHBondContact OG-NZ 2.89Å; S162-F180 WeakPolarHBondContact CA-O 3.46Å; S162-F180 WeakPolarHBondContact CB-O 3.47Å
163V93.3Very high83.8Confident0 Ų071.6 Ų71.60%037%0.37CS..EExtended strand (participates in β ladder)trans-115.8136.2176.6-176.60000108.3I156 W157 L158 I165 K179 F180 K182 L185I156-V163 HydrophobicContact CD1-CG1 4.14Å; I156-V163 HydrophobicContact CG1-CG1 4.08Å; W157-V163 WeakPolarHBondContact O-CA 3.22Å; L158-V163 HydrophobicContact CD2-CB 4.44Å; L158-V163 HydrophobicContact CD2-CG1 3.98Å; L158-V163 HydrophobicContact CD2-CG2 3.89Å; V163-I165 HydrophobicContact CG1-CG1 4.41Å; V163-K179 VanDerWaalsContact O-CA 3.3Å; V163-K179 WeakPolarHBondContact O-CA 3.43Å; V163-F180 HydrophobicContact CB-CD1 4.26Å; V163-F180 HydrophobicContact CB-CD2 4.11Å; V163-F180 HydrophobicContact CB-CE1 3.89Å; V163-F180 HydrophobicContact CB-CE2 3.72Å; V163-F180 HydrophobicContact CB-CG 4.38Å; V163-F180 HydrophobicContact CB-CZ 3.6Å; V163-F180 HydrophobicContact CG1-CE1 3.75Å; V163-F180 HydrophobicContact CG1-CE2 4.16Å; V163-F180 HydrophobicContact CG1-CZ 3.54Å; V163-F180 HydrophobicContact CG2-CD2 4.28Å; V163-F180 HydrophobicContact CG2-CE2 3.73Å; V163-F180 HydrophobicContact CG2-CZ 3.98Å; V163-F180 PolarHBondContact N-O 2.91Å; V163-F180 PolarHBondContact O-N 2.86Å; V163-K182 HydrophobicContact CG2-CB 4.39Å; V163-K182 HydrophobicContact CG2-CG 4.47Å; V163-L185 HydrophobicContact CG2-CD1 3.65Å; V163-L185 HydrophobicContact CG2-CD2 4.42Å; V163-L185 HydrophobicContact CG2-CG 3.98Å
164L93.8Very high83Confident38 Ų3867 Ų6720%0.19935%0.349CS..EExtended strand (participates in β ladder)trans-124.9122.1172.7175.171000108.9W157 F159 T166 K177 A178 K179W157-L164 HydrophobicContact CB-CB 4.26Å; W157-L164 PolarHBondContact N-O 2.86Å; W157-L164 PolarHBondContact O-N 2.87Å; F159-L164 HydrophobicContact CE2-CB 3.86Å; F159-L164 HydrophobicContact CE2-CD2 4.27Å; L164-T166 HydrophobicContact CD1-CG2 4.19Å; L164-T166 HydrophobicContact CD2-CG2 3.99Å; L164-T166 HydrophobicContact CG-CG2 3.81Å; L164-K177 HydrophobicContact CD1-CB 4.1Å; L164-A178 WeakPolarHBondContact CA-O 3.21Å; L164-K179 HydrophobicContact CD1-CB 4.12Å
165I94.4Very high82.7Confident0 Ų068.4 Ų68.40%036%0.355CS..EExtended strand (participates in β ladder)trans-105.1130.4169.8-55.8171.8000107.3N155 I156 V163 K177 A178 F180 A198 L200 I238N155-I165 CarbonylContact O-C 3.58Å; N155-I165 WeakPolarHBondContact O-CA 3.37Å; I156-I165 HydrophobicContact CG1-CG1 4.44Å; V163-I165 HydrophobicContact CG1-CG1 4.41Å; I165-K177 CarbonylContact O-C 3.58Å; I165-K177 VanDerWaalsContact O-CA 3.25Å; I165-K177 WeakPolarHBondContact O-CA 3.37Å; I165-A178 PolarHBondContact N-O 2.91Å; I165-A178 PolarHBondContact O-N 2.82Å; I165-F180 HydrophobicContact CD1-CE1 4.02Å; I165-F180 HydrophobicContact CG1-CE1 4.45Å; I165-A198 HydrophobicContact CD1-CB 4Å; I165-A198 HydrophobicContact CG1-CB 4.06Å; I165-A198 HydrophobicContact CG2-CB 3.78Å; I165-L200 HydrophobicContact CB-CD1 4.43Å; I165-L200 HydrophobicContact CG2-CB 3.93Å; I165-L200 HydrophobicContact CG2-CD1 3.91Å; I165-I238 HydrophobicContact CD1-CG2 4.1Å
166T92.9Very high82.7Confident8 Ų866.2 Ų66.25%0.04934%0.344CS..EExtended strand (participates in β ladder)trans-126.4161.2173.582.40000111.6G154 N155 L164 Q175 P176 K177G154-T166 CarbonylContact C-O 3.57Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å; N155-T166 PolarHBondContact N-O 3.4Å; N155-T166 PolarHBondContact O-N 3.47Å; L164-T166 HydrophobicContact CD1-CG2 4.19Å; L164-T166 HydrophobicContact CD2-CG2 3.99Å; L164-T166 HydrophobicContact CG-CG2 3.81Å; T166-Q175 PolarHBondContact OG1-OE1 2.75Å; T166-P176 WeakPolarHBondContact CA-O 3.49Å; T166-K177 HydrophobicContact CG2-CB 3.99Å
167R88.1Confident82.7Confident66 Ų6667.2 Ų67.225%0.24935%0.346CS..EExtended strand (participates in β ladder)trans-65.4143.1169.7-162.3175.9-171.9-179.93.3109.8L169 Q175 P176 L200R167-L169 PolarHBondContact O-N 3.14Å; R167-Q175 PolarHBondContact O-OE1 2.93Å; R167-P176 HydrophobicContact CB-CB 4.35Å; R167-P176 HydrophobicContact CB-CG 4.36Å; R167-P176 PolarHBondContact N-O 2.77Å; R167-L200 HydrophobicContact CB-CD2 4.17Å
168N80.3Confident82.9Confident102 Ų10260.4 Ų60.455%0.54532%0.32SS..SBendtrans-77.986.1172.1-164.813.5000110.5Q153 N155Q153-N168 WeakPolarHBondContact O-CB 3.42Å; N155-N168 PolarHBondContact ND2-OD1 2.92Å
169L69.9Low83.1Confident89 Ų8961.1 Ų61.147%0.46632%0.321SS..SBendtrans-147.9148.4-179-145.572.8000109.2R167 D171R167-L169 PolarHBondContact O-N 3.14Å; L169-D171 PolarHBondContact O-N 2.88Å
170P56.6Low83.4Confident115 Ų11556.8 Ų56.875%0.74730%0.302SS*.SBendtrans-71113.8-177.4-17.432000112.4S172P170-S172 VanDerWaalsContact C-N 3.33Å; P170-S172 PolarHBondContact O-N 2.85Å
171D55.4Low83.7Confident153 Ų15350.2 Ų50.282%0.81828%0.275SS*.  trans34.742.8152.4-59.5-23.3000119.5L169L169-D171 PolarHBondContact O-N 2.88Å
172S62.1Low83.6Confident46 Ų4649.1 Ų49.132%0.32227%0.266SS..  trans-76.1134.4156.693.80000109.7P170 S174 Q175P170-S172 VanDerWaalsContact C-N 3.33Å; P170-S172 PolarHBondContact O-N 2.85Å; S172-S174 PolarHBondContact O-N 2.94Å; S172-S174 PolarHBondContact OG-OG 2.78Å; S172-Q175 WeakPolarHBondContact O-CB 2.95Å; S172-Q175 PolarHBondContact O-N 2.83Å; S172-Q175 PolarHBondContact OG-N 2.9Å; S172-Q175 VanDerWaalsContact OG-N 3.15Å
173S64.6Low83.4Confident88 Ų8855.4 Ų55.462%0.61530%0.299SS*.THydrogen-bonded Turntrans-58.2-29176.153.30000112.4K177S173-K177 PolarHBondContact O-NZ 2.99Å
174S73.9Confident83.1Confident5 Ų556.9 Ų56.94%0.03531%0.306CS..THydrogen-bonded Turntrans-85.9-2-177.956.50000115.4S172 P258 E297S172-S174 PolarHBondContact O-N 2.94Å; S172-S174 PolarHBondContact OG-OG 2.78Å; S174-P258 WeakPolarHBondContact O-CD 3.3Å; S174-E297 WeakPolarHBondContact CB-OE1 3.36Å; S174-E297 WeakPolarHBondContact CB-OE2 3.43Å; S174-E297 PolarHBondContact OG-OE1 2.85Å; S174-E297 PolarHBondContact OG-OE2 2.87Å
175Q85.5Confident82.7Confident31 Ų3156.5 Ų56.515%0.14530%0.304CS..  trans-53.2142.3-166.268.2172.9-74.300114.5T166 R167 S172 K177T166-Q175 PolarHBondContact OG1-OE1 2.75Å; R167-Q175 PolarHBondContact O-OE1 2.93Å; S172-Q175 WeakPolarHBondContact O-CB 2.95Å; S172-Q175 PolarHBondContact O-N 2.83Å; S172-Q175 PolarHBondContact OG-N 2.9Å; S172-Q175 VanDerWaalsContact OG-N 3.15Å; Q175-K177 PolarHBondContact O-N 3.03Å
176P91.1Very high81.7Confident7 Ų761.6 Ų61.65%0.04534%0.336CS..  trans-57.2126.8177.1-21.730.7000111.9T166 R167 L200 V202 L257 P258T166-P176 WeakPolarHBondContact CA-O 3.49Å; R167-P176 HydrophobicContact CB-CB 4.35Å; R167-P176 HydrophobicContact CB-CG 4.36Å; R167-P176 PolarHBondContact N-O 2.77Å; P176-L200 HydrophobicContact CB-CD2 3.85Å; P176-V202 HydrophobicContact CB-CG2 3.79Å; P176-V202 HydrophobicContact CG-CG2 3.8Å; P176-L257 HydrophobicContact CB-CD2 4.06Å; P176-P258 HydrophobicContact CG-CG 4.03Å
177K92.8Very high80.6Confident68 Ų6862.9 Ų62.930%0.29634%0.344SS..EExtended strand (participates in β ladder)trans-150.2153.3-173.661.5-161.1170.1-156.50113.5L164 I165 T166 S173 Q175 S256L164-K177 HydrophobicContact CD1-CB 4.1Å; I165-K177 CarbonylContact O-C 3.58Å; I165-K177 VanDerWaalsContact O-CA 3.25Å; I165-K177 WeakPolarHBondContact O-CA 3.37Å; T166-K177 HydrophobicContact CG2-CB 3.99Å; S173-K177 PolarHBondContact O-NZ 2.99Å; Q175-K177 PolarHBondContact O-N 3.03Å; K177-S256 PolarHBondContact N-O 2.94Å; K177-S256 PolarHBondContact O-N 2.94Å
178A95.3Very high79.3Confident0 Ų063 Ų630%036%0.355CS..EExtended strand (participates in β ladder)trans-133.5125.7173.100000110.2L164 I165 I238 I253 Q254L164-A178 WeakPolarHBondContact CA-O 3.21Å; I165-A178 PolarHBondContact N-O 2.91Å; I165-A178 PolarHBondContact O-N 2.82Å; A178-I238 HydrophobicContact CB-CD1 3.77Å; A178-I253 HydrophobicContact CB-CG2 4.25Å; A178-Q254 CarbonylContact C-O 3.57Å; A178-Q254 WeakPolarHBondContact CA-O 3.46Å
179K95.3Very high78.2Confident84 Ų8466.4 Ų66.437%0.36537%0.373SS..EExtended strand (participates in β ladder)trans-115.6135.5176.5-173.5178.2178.8176.20110.8D161 S162 V163 L164 I253 Q254D161-K179 IonicContact OD2-NZ 2.71Å; S162-K179 WeakPolarHBondContact OG-CE 3.39Å; S162-K179 PolarHBondContact OG-NZ 2.89Å; V163-K179 VanDerWaalsContact O-CA 3.3Å; V163-K179 WeakPolarHBondContact O-CA 3.43Å; L164-K179 HydrophobicContact CD1-CB 4.12Å; K179-I253 CarbonylContact O-C 3.54Å; K179-Q254 PolarHBondContact N-O 2.89Å; K179-Q254 PolarHBondContact O-N 3.07Å
180F95.3Very high77.5Confident3 Ų371.6 Ų71.61%0.01339%0.392CS..EExtended strand (participates in β ladder)trans-146155.2173.860.7-89.8000111.4S162 V163 I165 L184 L185 L240 V249 I253 L307S162-F180 WeakPolarHBondContact CA-O 3.46Å; S162-F180 WeakPolarHBondContact CB-O 3.47Å; V163-F180 HydrophobicContact CB-CD1 4.26Å; V163-F180 HydrophobicContact CB-CD2 4.11Å; V163-F180 HydrophobicContact CB-CE1 3.89Å; V163-F180 HydrophobicContact CB-CE2 3.72Å; V163-F180 HydrophobicContact CB-CG 4.38Å; V163-F180 HydrophobicContact CB-CZ 3.6Å; V163-F180 HydrophobicContact CG1-CE1 3.75Å; V163-F180 HydrophobicContact CG1-CE2 4.16Å; V163-F180 HydrophobicContact CG1-CZ 3.54Å; V163-F180 HydrophobicContact CG2-CD2 4.28Å; V163-F180 HydrophobicContact CG2-CE2 3.73Å; V163-F180 HydrophobicContact CG2-CZ 3.98Å; V163-F180 PolarHBondContact N-O 2.91Å; V163-F180 PolarHBondContact O-N 2.86Å; I165-F180 HydrophobicContact CD1-CE1 4.02Å; I165-F180 HydrophobicContact CG1-CE1 4.45Å; F180-L184 HydrophobicContact CB-CD1 4.33Å; F180-L184 HydrophobicContact CD2-CB 4.3Å; F180-L184 HydrophobicContact CD2-CD1 4.46Å; F180-L185 HydrophobicContact CE2-CD2 3.7Å; F180-L185 HydrophobicContact CE2-CG 4.09Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; F180-L240 HydrophobicContact CZ-CD2 4.3Å; F180-V249 HydrophobicContact CD2-CG1 3.91Å; F180-V249 HydrophobicContact CE2-CG1 3.8Å; F180-V249 HydrophobicContact CE2-CG2 4.33Å; F180-V249 HydrophobicContact CG-CG1 4.5Å; F180-V249 HydrophobicContact CZ-CG1 4.32Å; F180-V249 HydrophobicContact CZ-CG2 4.39Å; F180-I253 HydrophobicContact CB-CB 4.21Å; F180-I253 HydrophobicContact CB-CG1 3.66Å; F180-I253 HydrophobicContact CB-CG2 4.36Å; F180-I253 HydrophobicContact CD1-CG1 4.36Å; F180-I253 HydrophobicContact CD1-CG2 4.35Å; F180-I253 HydrophobicContact CG-CG1 4.14Å; F180-L307 HydrophobicContact CE1-CD1 4.46Å
181P93.9Very high77.8Confident47 Ų4767.7 Ų67.731%0.30537%0.367SS..EExtended strand (participates in β ladder)trans-71.3144.2179.228.3-32.3000111.4N183 L184 P252P181-N183 VanDerWaalsContact C-N 3.26Å; P181-N183 WeakPolarHBondContact CB-OD1 3.33Å; P181-N183 PolarHBondContact O-N 3.15Å; P181-L184 HydrophobicContact CG-CD1 3.94Å; P181-L184 HydrophobicContact CG-CG 4.04Å; P181-L184 WeakPolarHBondContact O-CG 3.32Å; P181-L184 PolarHBondContact O-N 3.18Å; P181-P252 WeakPolarHBondContact CD-O 3.47Å
182K89.4Confident78.5Confident80 Ų8066.2 Ų66.235%0.34836%0.359SS..G310 helixtrans-67.1-25-168.1-174.6-177.8-174.2171.10113.6F159 E160 D161 V163 L184 L185F159-K182 WeakPolarHBondContact O-CD 3.32Å; F159-K182 PolarHBondContact O-NZ 3.45Å; E160-K182 WeakPolarHBondContact O-CD 3.44Å; D161-K182 WeakPolarHBondContact O-CB 3.39Å; D161-K182 PolarHBondContact O-N 2.87Å; V163-K182 HydrophobicContact CG2-CB 4.39Å; V163-K182 HydrophobicContact CG2-CG 4.47Å; K182-L184 PolarHBondContact O-N 2.17Å; K182-L184 VanDerWaalsContact O-N 3.13Å; K182-L185 HydrophobicContact CG-CD1 4.37Å; K182-L185 WeakPolarHBondContact O-CB 2.98Å; K182-L185 PolarHBondContact O-N 2.59Å
183N88Confident79.1Confident133 Ų13368.8 Ų68.871%0.71137%0.368SS*.G310 helixtrans-63.3-11.4175.466.9-22.6000114.2P181 L185P181-N183 VanDerWaalsContact C-N 3.26Å; P181-N183 WeakPolarHBondContact CB-OD1 3.33Å; P181-N183 PolarHBondContact O-N 3.15Å; N183-L185 VanDerWaalsContact C-N 3.33Å
184L87.4Confident79.7Confident31 Ų3170.1 Ų70.116%0.16238%0.377CS..G310 helixtrans-84.8-5.5173.2-48.7-178.8000113.3F180 P181 K182 T186 V249F180-L184 HydrophobicContact CB-CD1 4.33Å; F180-L184 HydrophobicContact CD2-CB 4.3Å; F180-L184 HydrophobicContact CD2-CD1 4.46Å; P181-L184 HydrophobicContact CG-CD1 3.94Å; P181-L184 HydrophobicContact CG-CG 4.04Å; P181-L184 WeakPolarHBondContact O-CG 3.32Å; P181-L184 PolarHBondContact O-N 3.18Å; K182-L184 PolarHBondContact O-N 2.17Å; K182-L184 VanDerWaalsContact O-N 3.13Å; L184-T186 PolarHBondContact O-N 2.91Å; L184-V249 HydrophobicContact CB-CG1 3.74Å; L184-V249 HydrophobicContact CD1-CG1 4.45Å
185L85.1Confident80.1Confident30 Ų3071.9 Ų71.916%0.15739%0.39CS..  trans-7996.4173.3-70-175.8000110.5L158 V163 F180 K182 N183 V187 L196 L240 V249L158-L185 HydrophobicContact CD2-CD1 4.28Å; V163-L185 HydrophobicContact CG2-CD1 3.65Å; V163-L185 HydrophobicContact CG2-CD2 4.42Å; V163-L185 HydrophobicContact CG2-CG 3.98Å; F180-L185 HydrophobicContact CE2-CD2 3.7Å; F180-L185 HydrophobicContact CE2-CG 4.09Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; K182-L185 HydrophobicContact CG-CD1 4.37Å; K182-L185 WeakPolarHBondContact O-CB 2.98Å; K182-L185 PolarHBondContact O-N 2.59Å; N183-L185 VanDerWaalsContact C-N 3.33Å; L185-V187 HydrophobicContact CB-CG2 4.11Å; L185-V187 PolarHBondContact O-N 3.18Å; L185-L196 HydrophobicContact CD1-CD1 4.35Å; L185-L240 HydrophobicContact CD2-CD2 3.48Å; L185-L240 VanDerWaalsContact CD2-CD2 3.48Å; L185-V249 HydrophobicContact CD2-CG2 4.2Å
186T73.4Confident80.3Confident107 Ų10770.9 Ų70.966%0.65639%0.386SS*.  trans-76.955.316961.30000111.3L184L184-T186 PolarHBondContact O-N 2.91Å
187V68.9Low80.2Confident35 Ų3573.9 Ų73.921%0.21240%0.4CS..  trans-73.6127.5171.2173.20000107.3L185 S191 L196 L247L185-V187 HydrophobicContact CB-CG2 4.11Å; L185-V187 PolarHBondContact O-N 3.18Å; V187-S191 WeakPolarHBondContact CG1-O 3.41Å; V187-S191 WeakPolarHBondContact CG1-OG 3.48Å; V187-L196 HydrophobicContact CG2-CD1 4.47Å; V187-L196 HydrophobicContact CG2-CD2 4.03Å; V187-L247 HydrophobicContact CG2-CD1 3.9Å
188S61Low80.2Confident69 Ų6970.7 Ų70.748%0.48339%0.386SS..  trans-67.9144.9175.5-178.40000109.8K190 S191S188-K190 PolarHBondContact O-N 3.18Å; S188-S191 PolarHBondContact N-OG 2.95Å; S188-S191 PolarHBondContact O-N 2.85Å; S188-S191 PolarHBondContact O-OG 3.23Å
189D56.7Low80.2Confident174 Ų17473.7 Ų73.793%0.9340%0.398SS*.THydrogen-bonded Turntrans-58.6-13-178.8-48.1-73.2000113.9
190K56.5Low80.1Confident198 Ų19869.8 Ų69.886%0.86138%0.381SS*.THydrogen-bonded Turntrans-94.5-13.7176.4-61.1-177.8-179.3179.80114.7S188S188-K190 PolarHBondContact O-N 3.18Å
191S63.3Low80Confident33 Ų3369.8 Ų69.823%0.23138%0.381CS..SBendtrans-95113.8179.238.90000110.6V187 S188 I193V187-S191 WeakPolarHBondContact CG1-O 3.41Å; V187-S191 WeakPolarHBondContact CG1-OG 3.48Å; S188-S191 PolarHBondContact N-OG 2.95Å; S188-S191 PolarHBondContact O-N 2.85Å; S188-S191 PolarHBondContact O-OG 3.23Å; S191-I193 PolarHBondContact O-N 2.95Å
192N68.9Low79.8Confident121 Ų12169 Ų6965%0.64738%0.375SS*.  trans-58.6132.5178-76.6-32.4000111.2S194 S195N192-S194 PolarHBondContact O-N 2.56Å; N192-S195 PolarHBondContact O-N 3.25Å; N192-S195 PolarHBondContact O-OG 2.9Å
193I75.6Confident79.5Confident101 Ų10165.5 Ų65.552%0.51836%0.361SS..G310 helixtrans-56.9-25.1178.4-66.5173.2000112.1L158 S191 S195 L196L158-I193 HydrophobicContact CD1-CG2 3.27Å; S191-I193 PolarHBondContact O-N 2.95Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.32Å; I193-L196 HydrophobicContact CG2-CD1 4.11Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 2.73Å
194S76.2Confident78.7Confident115 Ų11565.7 Ų65.780%0.80436%0.357SS*.G310 helixtrans-71.2-7.4174.161.50000115.4N192N192-S194 PolarHBondContact O-N 2.56Å
195S83.8Confident77.4Confident42 Ų4270.7 Ų70.729%0.29438%0.38SS..G310 helixtrans-95.411.6172.165.30000113.7N192 I193 G243N192-S195 PolarHBondContact O-N 3.25Å; N192-S195 PolarHBondContact O-OG 2.9Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.32Å; S195-G243 PolarHBondContact O-N 3.07Å
196L88.1Confident76Confident11 Ų1170.2 Ų70.26%0.05838%0.377CS..EExtended strand (participates in β ladder)trans-77120.7175.1-70.4176.3000111.4I156 L158 L185 V187 I193 Y241 L247I156-L196 HydrophobicContact CD1-CB 4.27Å; L158-L196 HydrophobicContact CD1-CD1 4.17Å; L158-L196 HydrophobicContact CD2-CD1 4.43Å; L185-L196 HydrophobicContact CD1-CD1 4.35Å; V187-L196 HydrophobicContact CG2-CD1 4.47Å; V187-L196 HydrophobicContact CG2-CD2 4.03Å; I193-L196 HydrophobicContact CG2-CD1 4.11Å; I193-L196 WeakPolarHBondContact O-CB 3.49Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 2.73Å; L196-Y241 CarbonylContact C-O 3.58Å; L196-Y241 WeakPolarHBondContact CA-O 3.38Å; L196-L247 HydrophobicContact CD2-CD1 3.5Å
197M90.3Very high75.2Confident69 Ų6967 Ų6734%0.3436%0.355SS..EExtended strand (participates in β ladder)trans-118.1121.3178.2-68.9-65.9-70.500109.7Q153 Y199 Y241Q153-M197 HydrophobicContact CG-CE 4.47Å; M197-Y199 HydrophobicContact CB-CE2 4.5Å; M197-Y241 PolarHBondContact N-O 3.38Å; M197-Y241 PolarHBondContact O-N 2.92Å
198A93Very high74.3Confident1 Ų167.6 Ų67.61%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-105.7140.9178.500000111.5G154 I156 I165 L240G154-A198 PolarHBondContact N-O 2.9Å; I156-A198 HydrophobicContact CB-CB 3.99Å; I156-A198 HydrophobicContact CD1-CB 4.43Å; I165-A198 HydrophobicContact CD1-CB 4Å; I165-A198 HydrophobicContact CG1-CB 4.06Å; I165-A198 HydrophobicContact CG2-CB 3.78Å; A198-L240 HydrophobicContact CB-CD1 4.08Å
199Y93.9Very high73.7Confident64 Ų6471.2 Ų71.225%0.25137%0.371SS..EExtended strand (participates in β ladder)trans-119129.7170.6-62.1-86.1000108.9H151 Q153 M197 I238 Q239 Y241H151-Y199 HydrophobicContact CB-CD1 3.87Å; H151-Y199 HydrophobicContact CB-CG 4.25Å; Q153-Y199 HydrophobicContact CB-CD1 4.35Å; Q153-Y199 HydrophobicContact CB-CE1 4.33Å; M197-Y199 HydrophobicContact CB-CE2 4.5Å; Y199-I238 WeakPolarHBondContact O-CA 3.39Å; Y199-Q239 PolarHBondContact N-O 2.85Å; Y199-Q239 PolarHBondContact O-N 3.42Å; Y199-Y241 AromaticContact CD2-CD2 3.79Å; Y199-Y241 HydrophobicContact CD2-CD2 3.79Å; Y199-Y241 AromaticContact CD2-CE2 3.96Å; Y199-Y241 HydrophobicContact CD2-CE2 3.96Å; Y199-Y241 AromaticContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CE2 4.07Å
200L93.9Very high73.1Confident1 Ų169.3 Ų69.31%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-135.5106.9174.2-166.5160.5000107.7S152 I165 R167 P176 V202 V236 I238S152-L200 CarbonylContact O-C 3.52Å; S152-L200 PolarHBondContact O-N 3.01Å; S152-L200 PolarHBondContact OG-O 2.83Å; I165-L200 HydrophobicContact CB-CD1 4.43Å; I165-L200 HydrophobicContact CG2-CB 3.93Å; I165-L200 HydrophobicContact CG2-CD1 3.91Å; R167-L200 HydrophobicContact CB-CD2 4.17Å; P176-L200 HydrophobicContact CB-CD2 3.85Å; L200-V202 HydrophobicContact CD2-CG2 4.07Å; L200-V236 HydrophobicContact CD2-CG2 3.79Å; L200-V236 HydrophobicContact CG-CG2 4.03Å; L200-I238 HydrophobicContact CG-CG1 4.39Å
201T91.9Very high72.9Confident3 Ų361.6 Ų61.62%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-118.7134.2-174.2-51.30000109.4V127 L149 H151 S152 P203 V236 S237V127-T201 HydrophobicContact CG2-CG2 3.81Å; L149-T201 HydrophobicContact CD2-CG2 3.67Å; L149-T201 HydrophobicContact CG-CG2 4.13Å; H151-T201 WeakPolarHBondContact CA-OG1 3.26Å; H151-T201 PolarHBondContact CD2-OG1 3.37Å; S152-T201 PolarHBondContact N-OG1 3Å; S152-T201 WeakPolarHBondContact OG-CA 3.38Å; S152-T201 PolarHBondContact OG-OG1 2.83Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å; T201-V236 CarbonylContact O-C 3.58Å; T201-V236 WeakPolarHBondContact O-CA 3.36Å; T201-V236 WeakPolarHBondContact O-CG2 3.36Å; T201-S237 PolarHBondContact N-O 3.03Å; T201-S237 PolarHBondContact O-N 2.84Å
202V89.9Confident72.1Confident31 Ų3166 Ų6619%0.18836%0.357CS..  trans-11597.7-179.7173.60000108.6P176 L200 Q204 A235 V236P176-V202 HydrophobicContact CB-CG2 3.79Å; P176-V202 HydrophobicContact CG-CG2 3.8Å; L200-V202 HydrophobicContact CD2-CG2 4.07Å; V202-Q204 PolarHBondContact O-N 2.83Å; V202-A235 WeakPolarHBondContact CG1-O 3.47Å; V202-V236 HydrophobicContact CG2-CG2 4.18Å
203P83.4Confident71.4Confident7 Ų765.2 Ų65.25%0.04535%0.353CS..  trans-77110.2-175.6-17.934.1000112.3V127 L149 T201 H205 A235 Y309V127-P203 HydrophobicContact CG1-CG 4.27Å; L149-P203 HydrophobicContact CD2-CB 3.65Å; L149-P203 HydrophobicContact CD2-CG 3.84Å; T201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-H205 VanDerWaalsContact C-N 3.3Å; P203-H205 PolarHBondContact O-N 3.44Å; P203-A235 WeakPolarHBondContact CD-O 3.47Å; P203-Y309 HydrophobicContact CG-CE2 3.89Å
204Q71.8Confident70.7Confident136 Ų13661 Ų6164%0.63633%0.332SS*.G310 helixtrans-71.3-20.5179.4-70.5174.2-54.500113.8V202 H206 L207V202-Q204 PolarHBondContact O-N 2.83Å; Q204-H206 VanDerWaalsContact C-N 3.26Å; Q204-H206 PolarHBondContact O-N 3.49Å; Q204-L207 WeakPolarHBondContact O-CB 3.45Å; Q204-L207 PolarHBondContact O-N 3.43Å
205H59.7Low70.3Confident136 Ų13655.7 Ų55.763%0.6330%0.295SS*.G310 helixtrans-60.3-31.9-176.3-173.1-86.9000113.6P203 L207P203-H205 VanDerWaalsContact C-N 3.3Å; P203-H205 PolarHBondContact O-N 3.44Å; H205-L207 VanDerWaalsContact C-N 3.26Å; H205-L207 PolarHBondContact O-N 3.26Å
206H56Low69.6Low21 Ų2154.6 Ų54.610%0.09729%0.286CS..G310 helixtrans-79.5-7179-62.5-80.3000113.7Q204 A232 Y309Q204-H206 VanDerWaalsContact C-N 3.26Å; Q204-H206 PolarHBondContact O-N 3.49Å; H206-A232 HydrophobicContact CB-CB 3.93Å; H206-A232 WeakPolarHBondContact O-CB 3.34Å; H206-A232 PolarHBondContact O-N 2.67Å; H206-Y309 PolarHBondContact CD2-OH 3.29Å; H206-Y309 PolarHBondContact NE2-OH 3.16Å
207L56.9Low68.8Low40 Ų4054 Ų5421%0.20928%0.284CS..G310 helixtrans-95.5-1-178-169.847.7000113.1Q204 H205 K209 V233 E260Q204-L207 WeakPolarHBondContact O-CB 3.45Å; Q204-L207 PolarHBondContact O-N 3.43Å; H205-L207 VanDerWaalsContact C-N 3.26Å; H205-L207 PolarHBondContact O-N 3.26Å; L207-K209 PolarHBondContact O-N 3.13Å; L207-V233 VanDerWaalsContact CD1-O 3.29Å; L207-V233 WeakPolarHBondContact CD1-O 3.35Å; L207-E260 VanDerWaalsContact CD2-CD 3.47Å; L207-E260 HydrophobicContact CD2-CG 3.89Å; L207-E260 WeakPolarHBondContact CD2-OE1 3.32Å
208A50.1Low68Low47 Ų4751.5 Ų51.539%0.38827%0.271SS..  trans-56.6131.2-176.200000112.8D210A208-D210 VanDerWaalsContact C-N 3.25Å; A208-D210 PolarHBondContact O-N 3.04Å
209K48.3Very low66.9Low145 Ų14553.6 Ų53.663%0.6328%0.282SS*.SBendtrans-59.7-36-176-160.8174.2-174.91780112.3L207 K231L207-K209 PolarHBondContact O-N 3.13Å; K209-K231 WeakPolarHBondContact O-CE 3.4Å; K209-K231 PolarHBondContact O-NZ 2.85Å
210D44.2Very low65.3Low134 Ų13455.2 Ų55.272%0.71730%0.303SS*.SBendtrans-113.284.2179.4-56.7-56.1000109.9A208 T212A208-D210 VanDerWaalsContact C-N 3.25Å; A208-D210 PolarHBondContact O-N 3.04Å; D210-T212 PolarHBondContact O-N 2.86Å
211C52.2Low63.2Low36 Ų3657.9 Ų57.924%0.24332%0.322CS..  trans-81.283.3-169.9-1660000112N213 C214 K231C211-N213 VanDerWaalsContact C-N 3.29Å; C211-N213 PolarHBondContact O-N 3.23Å; C211-C214 HydrophobicContact CB-CB 4.08Å; C211-C214 WeakPolarHBondContact CB-SG 3.38Å; C211-C214 WeakPolarHBondContact SG-CA 3.13Å; C211-C214 WeakPolarHBondContact SG-CB 3.32Å; C211-C214 CovalentContact SG-SG 2.03Å; C211-C214 PolarHBondContact SG-SG 2.99Å; C211-K231 HydrophobicContact CB-CG 4.4Å
212T46.9Very low61.2Low125 Ų12568.5 Ų68.577%0.76737%0.367SS*.THydrogen-bonded Turntrans-72.3-14-174.3530000115.5D210D210-T212 PolarHBondContact O-N 2.86Å
213N52.4Low59.2Low104 Ų10472.5 Ų72.556%0.55640%0.397SS*.THydrogen-bonded Turntrans-140.159.4176.4-71.3-60.8000110.1L131 C211L131-N213 HydrophobicContact CD1-CB 4.47Å; C211-N213 VanDerWaalsContact C-N 3.29Å; C211-N213 PolarHBondContact O-N 3.23Å
214C61.6Low57.9Low13 Ų1376.5 Ų76.59%0.08842%0.421CS..PPolyproline II helixtrans-67.4138.5-174.2-113.30000112.8C211 E229 L230 K231C211-C214 HydrophobicContact CB-CB 4.08Å; C211-C214 WeakPolarHBondContact CB-SG 3.38Å; C211-C214 WeakPolarHBondContact SG-CA 3.13Å; C211-C214 WeakPolarHBondContact SG-CB 3.32Å; C211-C214 CovalentContact SG-SG 2.03Å; C211-C214 PolarHBondContact SG-SG 2.99Å; C214-E229 HydrophobicContact CB-CG 3.39Å; C214-E229 WeakPolarHBondContact CB-OE1 3.36Å; C214-L230 VanDerWaalsContact SG-C 3.55Å; C214-L230 PolarHBondContact SG-O 2.87Å; C214-K231 WeakPolarHBondContact SG-CA 3.38Å
215T67.7Low57.5Low4 Ų474 Ų743%0.02541%0.411CS..EExtended strand (participates in β ladder)trans-74138.3-167.445.50000112.4P130 G217 L230 W283P130-T215 HydrophobicContact CG-CG2 4.17Å; T215-G217 PolarHBondContact O-N 3.05Å; T215-L230 VanDerWaalsContact O-CB 3.32Å; T215-L230 WeakPolarHBondContact O-CB 3.46Å; T215-L230 PolarHBondContact O-N 2.81Å; T215-W283 PolarHBondContact OG1-NE1 3.06Å
216P69.3Low57.9Low18 Ų1875.7 Ų75.712%0.11741%0.412CS..EExtended strand (participates in β ladder)trans-76.7121.6-17728.9-33.8000111.6P132 W283P132-P216 HydrophobicContact CB-CG 4.21Å; P216-W283 PolarHBondContact O-N 2.93Å
217G71.2Confident58.7Low0 Ų077.9 Ų77.90%043%0.43CS..EExtended strand (participates in β ladder)trans-92.1142.7166.500000112.2T215 S227 I228 W283T215-G217 PolarHBondContact O-N 3.05Å; G217-S227 CarbonylContact O-C 3.52Å; G217-S227 WeakPolarHBondContact O-CA 3.48Å; G217-I228 PolarHBondContact N-O 2.88Å; G217-I228 PolarHBondContact O-N 3.36Å; G217-W283 CarbonylContact C-O 3.27Å; G217-W283 WeakPolarHBondContact CA-O 2.99Å
218I74.2Confident59.7Low15 Ų1577.5 Ų77.58%0.07743%0.428CS..EExtended strand (participates in β ladder)trans-91.3123.3170.5-66.2174.3000108.6H91 L225 A282 W283 E284H91-I218 HydrophobicContact CB-CD1 4.04Å; I218-L225 HydrophobicContact CG2-CD1 3.44Å; I218-L225 VanDerWaalsContact CG2-CD1 3.44Å; I218-L225 HydrophobicContact CG2-CD2 4.5Å; I218-L225 HydrophobicContact CG2-CG 3.94Å; I218-A282 HydrophobicContact CD1-CB 3.79Å; I218-A282 HydrophobicContact CG1-CB 3.95Å; I218-W283 PolarHBondContact N-O 2.87Å; I218-E284 HydrophobicContact CB-CG 4.43Å; I218-E284 HydrophobicContact CD1-CG 4.32Å
219I69.2Low61.2Low45 Ų4581 Ų8123%0.23144%0.436CS..EExtended strand (participates in β ladder)trans-110.5118.9154.4-60.1-170.3000109S221 R226 I228 W274I219-S221 PolarHBondContact O-N 2.87Å; I219-R226 PolarHBondContact N-O 2.92Å; I219-R226 PolarHBondContact O-N 2.98Å; I219-I228 HydrophobicContact CB-CD1 4.19Å; I219-I228 HydrophobicContact CD1-CD1 3.6Å; I219-I228 HydrophobicContact CG1-CD1 3.89Å; I219-W274 HydrophobicContact CD1-CH2 3.9Å; I219-W274 HydrophobicContact CG1-CH2 3.72Å; I219-W274 HydrophobicContact CG1-CZ3 3.96Å
220S59.6Low62.8Low98 Ų9874.1 Ų74.169%0.68541%0.406SS*.EExtended strand (participates in β ladder)trans-75.9105.8166.1-173.50000109.3
221S51.1Low64.7Low58 Ų5872.3 Ų72.341%0.40639%0.392SS..EExtended strand (participates in β ladder)trans-92.3154.6162.678.10000109I219 S223 V224I219-S221 PolarHBondContact O-N 2.87Å; S221-S223 PolarHBondContact O-N 2.99Å; S221-V224 PolarHBondContact N-O 3.49Å; S221-V224 VanDerWaalsContact N-O 3.16Å; S221-V224 PolarHBondContact O-N 2.84Å; S221-V224 PolarHBondContact OG-O 3.32Å
222K50Low66.3Low225 Ų22570.8 Ų70.898%0.97838%0.382SS*.THydrogen-bonded Turntrans-57.1-0.3-159.9-64.1-174.5177.5-177.60118.3
223S47.6Very low68.2Low116 Ų11665.8 Ų65.881%0.81135%0.351SS*.THydrogen-bonded Turntrans-151.5-1.6167.3560000114.6S221S221-S223 PolarHBondContact O-N 2.99Å
224V56.6Low70Confident90 Ų9061.1 Ų61.155%0.54533%0.327SS..EExtended strand (participates in β ladder)trans-142.5125.2-174.1-177.70000110.2S221 R226S221-V224 PolarHBondContact N-O 3.49Å; S221-V224 VanDerWaalsContact N-O 3.16Å; S221-V224 PolarHBondContact O-N 2.84Å; S221-V224 PolarHBondContact OG-O 3.32Å; V224-R226 PolarHBondContact O-N 2.93Å
225L63.6Low71.4Confident84 Ų8460.7 Ų60.744%0.4433%0.325SS..EExtended strand (participates in β ladder)trans-71.6120.3169.4-15676.6000108.7I218I218-L225 HydrophobicContact CG2-CD1 3.44Å; I218-L225 VanDerWaalsContact CG2-CD1 3.44Å; I218-L225 HydrophobicContact CG2-CD2 4.5Å; I218-L225 HydrophobicContact CG2-CG 3.94Å
226R68.1Low72.7Confident172 Ų17260.6 Ų60.665%0.64932%0.324SS*.EExtended strand (participates in β ladder)trans-112.6114.5177.7-167.4175.5-1761742.3109.8I219 V224 I228I219-R226 PolarHBondContact N-O 2.92Å; I219-R226 PolarHBondContact O-N 2.98Å; V224-R226 PolarHBondContact O-N 2.93Å; R226-I228 HydrophobicContact CG-CD1 4.39Å; R226-I228 HydrophobicContact CG-CG1 4.1Å
227S73Confident73.8Confident66 Ų6659.9 Ų59.946%0.46232%0.319SS..EExtended strand (participates in β ladder)trans-70.8137165.850.80000109.9G217G217-S227 CarbonylContact O-C 3.52Å; G217-S227 WeakPolarHBondContact O-CA 3.48Å
228I77.6Confident74.9Confident33 Ų3359.9 Ų59.917%0.16932%0.319CS..EExtended strand (participates in β ladder)trans-140135.4-174-71.9-179.5000108.2G217 I219 R226 L230 P316G217-I228 PolarHBondContact N-O 2.88Å; G217-I228 PolarHBondContact O-N 3.36Å; I219-I228 HydrophobicContact CB-CD1 4.19Å; I219-I228 HydrophobicContact CD1-CD1 3.6Å; I219-I228 HydrophobicContact CG1-CD1 3.89Å; R226-I228 HydrophobicContact CG-CD1 4.39Å; R226-I228 HydrophobicContact CG-CG1 4.1Å; I228-L230 HydrophobicContact CG2-CD2 4.2Å; I228-L230 PolarHBondContact O-N 2.75Å; I228-P316 HydrophobicContact CG2-CG 3.41Å; I228-P316 VanDerWaalsContact CG2-CG 3.41Å
229E80.5Confident75.8Confident119 Ų11960.3 Ų60.356%0.55632%0.321SS*.EExtended strand (participates in β ladder)trans-74.5122.9-179.1-171.8170.2-165.400111.1C214 P316C214-E229 HydrophobicContact CB-CG 3.39Å; C214-E229 WeakPolarHBondContact CB-OE1 3.36Å; E229-P316 WeakPolarHBondContact O-CD 3.45Å; E229-P316 WeakPolarHBondContact O-CG 3.39Å
230L82.6Confident77Confident1 Ų158.2 Ų58.21%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-108.6113.7-177.4-55.7-174.2000112.4C214 T215 I228 W274 W283 I311 A313C214-L230 VanDerWaalsContact SG-C 3.55Å; C214-L230 PolarHBondContact SG-O 2.87Å; T215-L230 VanDerWaalsContact O-CB 3.32Å; T215-L230 WeakPolarHBondContact O-CB 3.46Å; T215-L230 PolarHBondContact O-N 2.81Å; I228-L230 HydrophobicContact CG2-CD2 4.2Å; I228-L230 PolarHBondContact O-N 2.75Å; L230-W274 HydrophobicContact CD1-CB 4.47Å; L230-W274 HydrophobicContact CD1-CD2 3.5Å; L230-W274 VanDerWaalsContact CD1-CD2 3.5Å; L230-W274 HydrophobicContact CD1-CE3 3.67Å; L230-W274 HydrophobicContact CD1-CG 3.87Å; L230-W274 HydrophobicContact CD1-CH2 4.31Å; L230-W274 HydrophobicContact CD1-CZ2 4.17Å; L230-W274 HydrophobicContact CD1-CZ3 4.07Å; L230-W274 HydrophobicContact CD2-CD2 4.26Å; L230-W274 HydrophobicContact CD2-CE3 4.44Å; L230-W274 HydrophobicContact CD2-CH2 3.57Å; L230-W274 HydrophobicContact CD2-CZ2 3.33Å; L230-W274 HydrophobicContact CD2-CZ3 4.13Å; L230-W274 HydrophobicContact CG-CZ2 4.4Å; L230-W283 HydrophobicContact CD1-CB 3.68Å; L230-W283 HydrophobicContact CD1-CG 4.14Å; L230-I311 HydrophobicContact CB-CD1 4.4Å; L230-I311 HydrophobicContact CD1-CD1 3.93Å; L230-A313 HydrophobicContact CB-CB 4.14Å
231K83.1Confident78.4Confident97 Ų9755.1 Ų55.142%0.42228%0.284SS..  trans-90.8107.8165.8-172.4173.6-173.9173.70108.9K209 C211 C214 A313 P314K209-K231 WeakPolarHBondContact O-CE 3.4Å; K209-K231 PolarHBondContact O-NZ 2.85Å; C211-K231 HydrophobicContact CB-CG 4.4Å; C214-K231 WeakPolarHBondContact SG-CA 3.38Å; K231-A313 WeakPolarHBondContact O-CB 3.46Å; K231-P314 WeakPolarHBondContact O-CD 3.5Å
232A86.5Confident80.2Confident4 Ų453 Ų533%0.03327%0.269CS..  trans-75.9149.6-178.700000111.5H206 I311H206-A232 HydrophobicContact CB-CB 3.93Å; H206-A232 WeakPolarHBondContact O-CB 3.34Å; H206-A232 PolarHBondContact O-N 2.67Å; A232-I311 HydrophobicContact CB-CB 4.07Å; A232-I311 HydrophobicContact CB-CD1 4.35Å; A232-I311 HydrophobicContact CB-CG2 4.14Å
233V87.2Confident81.8Confident19 Ų1944.7 Ų44.712%0.11525%0.247CC..SBendtrans-118.6-18.1179.7-172.40000110.9L207 L259 T263 L265 A312 P314L207-V233 VanDerWaalsContact CD1-O 3.29Å; L207-V233 WeakPolarHBondContact CD1-O 3.35Å; V233-L259 HydrophobicContact CG1-CD2 4.39Å; V233-T263 HydrophobicContact CG1-CG2 3.36Å; V233-L265 HydrophobicContact CG1-CD1 3.75Å; V233-A312 PolarHBondContact N-O 3.24Å; V233-P314 VanDerWaalsContact CG2-CD 3.46Å; V233-P314 HydrophobicContact CG2-CG 4.09Å
234A89.6Confident83.3Confident7 Ų744.8 Ų44.86%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-151.6156.7158.300000109.9L257 L259 I311 A312A234-L257 HydrophobicContact CB-CB 4.06Å; A234-L257 HydrophobicContact CB-CD1 3.73Å; A234-L259 HydrophobicContact CB-CD2 3.78Å; A234-I311 WeakPolarHBondContact O-CA 3.47Å; A234-A312 HydrophobicContact CB-CB 4.16Å; A234-A312 PolarHBondContact N-O 2.82Å; A234-A312 PolarHBondContact O-N 2.79Å
235A91.9Very high84.7Confident4 Ų447.1 Ų47.13%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-143.3140.3178.900000110.7V202 P203 W310 I311V202-A235 WeakPolarHBondContact CG1-O 3.47Å; P203-A235 WeakPolarHBondContact CD-O 3.47Å; A235-W310 CarbonylContact C-O 3.58Å; A235-W310 WeakPolarHBondContact CA-O 3.45Å; A235-I311 HydrophobicContact CB-CG2 3.73Å
236V93.6Very high85.8Confident1 Ų146.4 Ų46.41%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-149.412817571.80000112.4L200 T201 V202 I238 I255 L257 Y309 W310L200-V236 HydrophobicContact CD2-CG2 3.79Å; L200-V236 HydrophobicContact CG-CG2 4.03Å; T201-V236 CarbonylContact O-C 3.58Å; T201-V236 WeakPolarHBondContact O-CA 3.36Å; T201-V236 WeakPolarHBondContact O-CG2 3.36Å; V202-V236 HydrophobicContact CG2-CG2 4.18Å; V236-I238 HydrophobicContact CB-CG1 4.48Å; V236-I238 HydrophobicContact CG1-CD1 4.02Å; V236-I238 HydrophobicContact CG1-CG1 4.07Å; V236-I238 HydrophobicContact CG2-CD1 4.31Å; V236-I238 HydrophobicContact CG2-CG1 3.68Å; V236-I255 HydrophobicContact CG1-CD1 4.48Å; V236-I255 HydrophobicContact CG1-CG2 4.02Å; V236-L257 HydrophobicContact CB-CD1 3.92Å; V236-L257 HydrophobicContact CB-CD2 3.71Å; V236-L257 HydrophobicContact CB-CG 4.45Å; V236-L257 HydrophobicContact CG1-CD1 3.8Å; V236-L257 HydrophobicContact CG1-CD2 3.96Å; V236-L257 HydrophobicContact CG1-CG 4.37Å; V236-L257 HydrophobicContact CG2-CD2 3.97Å; V236-Y309 WeakPolarHBondContact O-CD2 3.32Å; V236-W310 HydrophobicContact CG1-CB 4.19Å; V236-W310 PolarHBondContact N-O 3.4Å; V236-W310 PolarHBondContact O-N 2.97Å
237S93.9Very high86.8Confident3 Ų338.9 Ų38.92%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-99.2123.1164-176.20000108.4H151 T201H151-S237 WeakPolarHBondContact NE2-CB 3.25Å; H151-S237 PolarHBondContact NE2-OG 2.85Å; T201-S237 PolarHBondContact N-O 3.03Å; T201-S237 PolarHBondContact O-N 2.84Å
238I94.6Very high87.6Confident1 Ų140.6 Ų40.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-124.5120.8179-42162.2000108.1I165 A178 Y199 L200 V236 I255 L307 G308I165-I238 HydrophobicContact CD1-CG2 4.1Å; A178-I238 HydrophobicContact CB-CD1 3.77Å; Y199-I238 WeakPolarHBondContact O-CA 3.39Å; L200-I238 HydrophobicContact CG-CG1 4.39Å; V236-I238 HydrophobicContact CB-CG1 4.48Å; V236-I238 HydrophobicContact CG1-CD1 4.02Å; V236-I238 HydrophobicContact CG1-CG1 4.07Å; V236-I238 HydrophobicContact CG2-CD1 4.31Å; V236-I238 HydrophobicContact CG2-CG1 3.68Å; I238-I255 HydrophobicContact CD1-CD1 3.76Å; I238-I255 HydrophobicContact CD1-CG1 3.93Å; I238-L307 HydrophobicContact CB-CD2 4.14Å; I238-L307 HydrophobicContact CG2-CD2 3.8Å; I238-G308 PolarHBondContact N-O 2.79Å; I238-G308 PolarHBondContact O-N 2.94Å
239Q93Very high88.2Confident24 Ų2439 Ų3911%0.11221%0.212CC..EExtended strand (participates in β ladder)trans-129.9154.7174.4-66.5-177.3-68.800110.5H151 Y199 Y241 E246H151-Q239 PolarHBondContact CE1-OE1 3.02Å; H151-Q239 PolarHBondContact NE2-OE1 3.21Å; Y199-Q239 PolarHBondContact N-O 2.85Å; Y199-Q239 PolarHBondContact O-N 3.42Å; Q239-Y241 HydrophobicContact CB-CD2 4.36Å; Q239-Y241 HydrophobicContact CB-CE2 3.82Å; Q239-Y241 PolarHBondContact NE2-OH 2.94Å; Q239-E246 PolarHBondContact NE2-OE1 3.18Å
240L92.6Very high88.7Confident1 Ų141.7 Ų41.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-134.6133.2176.7-177.367.9000108.4I156 F180 L185 A198 L247 V249 L307I156-L240 HydrophobicContact CD1-CD1 3.75Å; F180-L240 HydrophobicContact CZ-CD2 4.3Å; L185-L240 HydrophobicContact CD2-CD2 3.48Å; L185-L240 VanDerWaalsContact CD2-CD2 3.48Å; A198-L240 HydrophobicContact CB-CD1 4.08Å; L240-L247 HydrophobicContact CB-CB 4.44Å; L240-L247 HydrophobicContact CD2-CB 4.2Å; L240-L247 HydrophobicContact CD2-CD1 3.98Å; L240-L247 HydrophobicContact CG-CB 4.27Å; L240-L247 HydrophobicContact CG-CD1 4.19Å; L240-L247 PolarHBondContact O-N 3.06Å; L240-V249 HydrophobicContact CD2-CG2 3.96Å; L240-L307 HydrophobicContact CB-CD1 3.88Å
241Y89.9Confident89Confident33 Ų3342.7 Ų42.713%0.12923%0.228CC..EExtended strand (participates in β ladder)trans-124.5150.9179.5-72.4-102.1000110.4L196 M197 Y199 Q239 Q245 E246L196-Y241 CarbonylContact C-O 3.58Å; L196-Y241 WeakPolarHBondContact CA-O 3.38Å; M197-Y241 PolarHBondContact N-O 3.38Å; M197-Y241 PolarHBondContact O-N 2.92Å; Y199-Y241 AromaticContact CD2-CD2 3.79Å; Y199-Y241 HydrophobicContact CD2-CD2 3.79Å; Y199-Y241 AromaticContact CD2-CE2 3.96Å; Y199-Y241 HydrophobicContact CD2-CE2 3.96Å; Y199-Y241 AromaticContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CD2 3.75Å; Y199-Y241 HydrophobicContact CE2-CE2 4.07Å; Q239-Y241 HydrophobicContact CB-CD2 4.36Å; Q239-Y241 HydrophobicContact CB-CE2 3.82Å; Q239-Y241 PolarHBondContact NE2-OH 2.94Å; Y241-Q245 CarbonylContact C-O 3.59Å; Y241-Q245 VanDerWaalsContact CA-O 3.28Å; Y241-Q245 WeakPolarHBondContact CA-O 3.33Å; Y241-E246 HydrophobicContact CD1-CB 4.08Å; Y241-E246 HydrophobicContact CE1-CB 3.8Å; Y241-E246 HydrophobicContact CE1-CG 4.34Å; Y241-E246 HydrophobicContact CE2-CG 4.4Å
242S88.8Confident89.5Confident14 Ų1441.7 Ų41.710%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-120.1101.9167.11780000108.1S244 Q245S242-S244 PolarHBondContact O-N 3.39Å; S242-Q245 PolarHBondContact N-O 3.32Å; S242-Q245 PolarHBondContact O-N 3.02Å
243G83.5Confident89.9Confident49 Ų4941.5 Ų41.551%0.50523%0.23SC..THydrogen-bonded Turntrans59.4-120.1-165.100000110.6S195S195-G243 PolarHBondContact O-N 3.07Å
244S79.1Confident90.3Very high118 Ų11844.9 Ų44.983%0.82524%0.244SC*.THydrogen-bonded Turntrans-92.10.6178.453.80000115.1S242S242-S244 PolarHBondContact O-N 3.39Å
245Q85.4Confident90.6Very high139 Ų13944.6 Ų44.665%0.6524%0.242SC*.EExtended strand (participates in β ladder)trans-104.5126.8-177-171.9174.112.500111.8Y241 S242Y241-Q245 CarbonylContact C-O 3.59Å; Y241-Q245 VanDerWaalsContact CA-O 3.28Å; Y241-Q245 WeakPolarHBondContact CA-O 3.33Å; S242-Q245 PolarHBondContact N-O 3.32Å; S242-Q245 PolarHBondContact O-N 3.02Å
246E87.5Confident90.7Very high70 Ų7045 Ų4533%0.32724%0.244SC..EExtended strand (participates in β ladder)trans-69.6130.2172.3-167.9-171.5-142.300110.9Q239 Y241 Q248Q239-E246 PolarHBondContact NE2-OE1 3.18Å; Y241-E246 HydrophobicContact CD1-CB 4.08Å; Y241-E246 HydrophobicContact CE1-CB 3.8Å; Y241-E246 HydrophobicContact CE1-CG 4.34Å; Y241-E246 HydrophobicContact CE2-CG 4.4Å; E246-Q248 PolarHBondContact OE2-NE2 2.71Å
247L88.9Confident90.6Very high14 Ų1445.1 Ų45.17%0.07325%0.245CC..  trans-92.5106.5176.6-66.8-174.8000110.8V187 L196 L240 V249V187-L247 HydrophobicContact CG2-CD1 3.9Å; L196-L247 HydrophobicContact CD2-CD1 3.5Å; L240-L247 HydrophobicContact CB-CB 4.44Å; L240-L247 HydrophobicContact CD2-CB 4.2Å; L240-L247 HydrophobicContact CD2-CD1 3.98Å; L240-L247 HydrophobicContact CG-CB 4.27Å; L240-L247 HydrophobicContact CG-CD1 4.19Å; L240-L247 PolarHBondContact O-N 3.06Å; L247-V249 VanDerWaalsContact C-N 3.25Å; L247-V249 HydrophobicContact CB-CG2 4.48Å; L247-V249 PolarHBondContact O-N 3.13Å
248Q89.3Confident90.5Very high101 Ų10146.8 Ų46.847%0.47226%0.256SS..  trans-76.867-179.7-74.7-74.2-34.900112.5E246 R250E246-Q248 PolarHBondContact OE2-NE2 2.71Å; Q248-R250 PolarHBondContact O-N 3.2Å
249V90.5Very high90.1Very high1 Ų147.1 Ų47.11%0.00626%0.257CS..  trans-64123.4178.2-178.50000110.7F180 L184 L185 L240 L247 I253 H306 L307F180-V249 HydrophobicContact CD2-CG1 3.91Å; F180-V249 HydrophobicContact CE2-CG1 3.8Å; F180-V249 HydrophobicContact CE2-CG2 4.33Å; F180-V249 HydrophobicContact CG-CG1 4.5Å; F180-V249 HydrophobicContact CZ-CG1 4.32Å; F180-V249 HydrophobicContact CZ-CG2 4.39Å; L184-V249 HydrophobicContact CB-CG1 3.74Å; L184-V249 HydrophobicContact CD1-CG1 4.45Å; L185-V249 HydrophobicContact CD2-CG2 4.2Å; L240-V249 HydrophobicContact CD2-CG2 3.96Å; L247-V249 VanDerWaalsContact C-N 3.25Å; L247-V249 HydrophobicContact CB-CG2 4.48Å; L247-V249 PolarHBondContact O-N 3.13Å; V249-I253 HydrophobicContact CG1-CD1 4.28Å; V249-H306 WeakPolarHBondContact O-CA 3.35Å; V249-L307 HydrophobicContact CB-CD1 3.75Å; V249-L307 HydrophobicContact CB-CG 3.97Å; V249-L307 HydrophobicContact CG1-CD1 4.49Å; V249-L307 HydrophobicContact CG2-CD1 3.85Å; V249-L307 PolarHBondContact O-N 2.89Å; V249-L307 VanDerWaalsContact O-N 3.16Å
250R91.1Very high89.3Confident174 Ų17450.2 Ų50.266%0.65727%0.272SS*.EExtended strand (participates in β ladder)trans-127.1141.8178.2-68.2-179.8173.6-120.6-10.3110.6Q248 S305 H306Q248-R250 PolarHBondContact O-N 3.2Å; R250-S305 WeakPolarHBondContact CA-O 3.45Å; R250-H306 HydrophobicContact CG-CB 4.18Å
251G89.2Confident87.8Confident23 Ų2357.4 Ų57.424%0.23731%0.305CS..EExtended strand (participates in β ladder)trans130.1-173-173.800000111.7I253 S305G251-I253 PolarHBondContact O-N 2.78Å; G251-I253 VanDerWaalsContact O-N 3.13Å; G251-S305 PolarHBondContact N-O 3.16Å; G251-S305 CarbonylContact O-C 3.52Å; G251-S305 VanDerWaalsContact O-C 3.27Å; G251-S305 WeakPolarHBondContact O-CA 3.32Å
252P93.2Very high86.4Confident76 Ų7662 Ų6249%0.49433%0.332SS..EExtended strand (participates in β ladder)trans-70.5106.4-175.128.1-35.1000112.1P181 T303P181-P252 WeakPolarHBondContact CD-O 3.47Å; P252-T303 HydrophobicContact CB-CG2 3.74Å
253I95.8Very high85.3Confident0 Ų062.7 Ų62.70%034%0.336CS..EExtended strand (participates in β ladder)trans-112.3109.4177.3-62.4146.2000108.6A178 K179 F180 V249 G251 I255 T303 A304 L307A178-I253 HydrophobicContact CB-CG2 4.25Å; K179-I253 CarbonylContact O-C 3.54Å; F180-I253 HydrophobicContact CB-CB 4.21Å; F180-I253 HydrophobicContact CB-CG1 3.66Å; F180-I253 HydrophobicContact CB-CG2 4.36Å; F180-I253 HydrophobicContact CD1-CG1 4.36Å; F180-I253 HydrophobicContact CD1-CG2 4.35Å; F180-I253 HydrophobicContact CG-CG1 4.14Å; V249-I253 HydrophobicContact CG1-CD1 4.28Å; G251-I253 PolarHBondContact O-N 2.78Å; G251-I253 VanDerWaalsContact O-N 3.13Å; I253-I255 HydrophobicContact CG2-CG1 4.22Å; I253-I255 PolarHBondContact O-N 2.8Å; I253-T303 CarbonylContact O-C 3.59Å; I253-T303 WeakPolarHBondContact O-CA 3.38Å; I253-A304 HydrophobicContact CB-CB 4.35Å; I253-A304 PolarHBondContact N-O 3.19Å; I253-A304 PolarHBondContact O-N 2.91Å; I253-L307 HydrophobicContact CD1-CD2 4.01Å; I253-L307 HydrophobicContact CD1-CG 3.98Å; I253-L307 HydrophobicContact CG2-CD2 4.05Å
254Q95.7Very high84.7Confident89 Ų8969.3 Ų69.342%0.41635%0.353SS..EExtended strand (participates in β ladder)trans-76.5102.8176.1-176.1-176.3-5.700109.9A178 K179 T301A178-Q254 CarbonylContact C-O 3.57Å; A178-Q254 WeakPolarHBondContact CA-O 3.46Å; K179-Q254 PolarHBondContact N-O 2.89Å; K179-Q254 PolarHBondContact O-N 3.07Å; Q254-T301 HydrophobicContact CG-CG2 4.05Å
255I95.5Very high84.7Confident1 Ų165.3 Ų65.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-86.2138170.9-58.9179.9000108.8V236 I238 I253 L257 W300 T301 Y302 A304 W310V236-I255 HydrophobicContact CG1-CD1 4.48Å; V236-I255 HydrophobicContact CG1-CG2 4.02Å; I238-I255 HydrophobicContact CD1-CD1 3.76Å; I238-I255 HydrophobicContact CD1-CG1 3.93Å; I253-I255 HydrophobicContact CG2-CG1 4.22Å; I253-I255 PolarHBondContact O-N 2.8Å; I255-L257 HydrophobicContact CG2-CD1 4.31Å; I255-L257 HydrophobicContact CG2-CD2 4.12Å; I255-L257 HydrophobicContact CG2-CG 3.9Å; I255-W300 HydrophobicContact CG2-CZ3 4.12Å; I255-T301 WeakPolarHBondContact O-CA 3.47Å; I255-Y302 PolarHBondContact N-O 3Å; I255-Y302 PolarHBondContact O-N 2.81Å; I255-A304 HydrophobicContact CD1-CB 3.65Å; I255-A304 HydrophobicContact CG1-CB 4.17Å; I255-W310 HydrophobicContact CD1-CB 4.43Å; I255-W310 HydrophobicContact CD1-CD2 4.46Å; I255-W310 HydrophobicContact CD1-CG 4Å
256S93.8Very high84.6Confident12 Ų1267.4 Ų67.48%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-135.1120.9171.3-670000110.3K177 W300K177-S256 PolarHBondContact N-O 2.94Å; K177-S256 PolarHBondContact O-N 2.94Å; S256-W300 WeakPolarHBondContact CA-O 3.46Å
257L92.4Very high84.4Confident4 Ų467.1 Ų67.12%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-124.3131.8-178.5-56.6177.5000110.4P176 A234 V236 I255 V299 W300P176-L257 HydrophobicContact CB-CD2 4.06Å; A234-L257 HydrophobicContact CB-CB 4.06Å; A234-L257 HydrophobicContact CB-CD1 3.73Å; V236-L257 HydrophobicContact CB-CD1 3.92Å; V236-L257 HydrophobicContact CB-CD2 3.71Å; V236-L257 HydrophobicContact CB-CG 4.45Å; V236-L257 HydrophobicContact CG1-CD1 3.8Å; V236-L257 HydrophobicContact CG1-CD2 3.96Å; V236-L257 HydrophobicContact CG1-CG 4.37Å; V236-L257 HydrophobicContact CG2-CD2 3.97Å; I255-L257 HydrophobicContact CG2-CD1 4.31Å; I255-L257 HydrophobicContact CG2-CD2 4.12Å; I255-L257 HydrophobicContact CG2-CG 3.9Å; L257-V299 CarbonylContact O-C 3.55Å; L257-V299 WeakPolarHBondContact O-CA 3.36Å; L257-W300 HydrophobicContact CB-CE3 4.44Å; L257-W300 HydrophobicContact CD1-CE3 4Å; L257-W300 HydrophobicContact CD1-CZ3 4Å; L257-W300 HydrophobicContact CG-CE3 4.22Å; L257-W300 HydrophobicContact CG-CZ3 4.48Å; L257-W300 PolarHBondContact N-O 3.26Å; L257-W300 PolarHBondContact O-N 2.69Å
258P90.1Very high84.2Confident39 Ų3971.1 Ų71.125%0.25336%0.359SS..EExtended strand (participates in β ladder)trans-64.8145.9168.129.4-32.7000110.1S174 P176S174-P258 WeakPolarHBondContact O-CD 3.3Å; P176-P258 HydrophobicContact CG-CG 4.03Å
259L87.1Confident84Confident7 Ų769.8 Ų69.84%0.03735%0.353CS..  trans-108.2144.1175.2-57.7-175.6000109.4V233 A234 L265 V291 L298 W300V233-L259 HydrophobicContact CG1-CD2 4.39Å; A234-L259 HydrophobicContact CB-CD2 3.78Å; L259-L265 HydrophobicContact CD1-CD1 3.83Å; L259-V291 HydrophobicContact CD1-CG1 3.88Å; L259-V291 HydrophobicContact CD1-CG2 3.87Å; L259-L298 HydrophobicContact CB-CB 4.22Å; L259-L298 WeakPolarHBondContact CB-O 3.34Å; L259-L298 HydrophobicContact CD1-CB 4.3Å; L259-L298 PolarHBondContact N-O 3.46Å; L259-W300 HydrophobicContact CD1-CB 4.18Å; L259-W300 HydrophobicContact CD2-CB 3.79Å; L259-W300 HydrophobicContact CG-CB 4.12Å
260E76Confident84Confident89 Ų8973.7 Ų73.742%0.41638%0.377SS..  trans-68.5144.7176.3-70.7-177.7-17800112L207 N262 T263L207-E260 VanDerWaalsContact CD2-CD 3.47Å; L207-E260 HydrophobicContact CD2-CG 3.89Å; L207-E260 WeakPolarHBondContact CD2-OE1 3.32Å; E260-N262 PolarHBondContact O-N 3.06Å; E260-T263 WeakPolarHBondContact O-CB 3.45Å; E260-T263 VanDerWaalsContact O-CG2 3.24Å; E260-T263 WeakPolarHBondContact O-CG2 3.45Å; E260-T263 PolarHBondContact O-N 2.87Å; E260-T263 PolarHBondContact O-OG1 2.84Å
261H62.1Low84Confident153 Ų15365.5 Ų65.571%0.70835%0.346SS*.THydrogen-bonded Turntrans-56.9-20-178.8-57.497.1000114.5T263H261-T263 VanDerWaalsContact C-N 3.29Å; H261-T263 PolarHBondContact O-N 2.93Å
262N60.1Low84.1Confident130 Ų13064.8 Ų64.870%0.69534%0.337SS*.THydrogen-bonded Turntrans-844.4178.9-73-58.5000114.3E260E260-N262 PolarHBondContact O-N 3.06Å
263T64.3Low84.1Confident27 Ų2761.2 Ų61.217%0.16631%0.314CS..  trans-80.4131.818058.60000110.9V233 E260 H261 L265V233-T263 HydrophobicContact CG1-CG2 3.36Å; E260-T263 WeakPolarHBondContact O-CB 3.45Å; E260-T263 VanDerWaalsContact O-CG2 3.24Å; E260-T263 WeakPolarHBondContact O-CG2 3.45Å; E260-T263 PolarHBondContact O-N 2.87Å; E260-T263 PolarHBondContact O-OG1 2.84Å; H261-T263 VanDerWaalsContact C-N 3.29Å; H261-T263 PolarHBondContact O-N 2.93Å; T263-L265 PolarHBondContact O-N 2.92Å
264H71.3Confident84Confident189 Ų18961.2 Ų61.288%0.87531%0.314SS*.SBendtrans-73.131.3176.4-63.3-56.8000113.4
265L80.3Confident83.9Confident34 Ų3457.1 Ų57.118%0.17830%0.295CS..  trans-100.8158.7-178.4-63.3173.9000110.1V233 L259 T263 H269 V271 V291V233-L265 HydrophobicContact CG1-CD1 3.75Å; L259-L265 HydrophobicContact CD1-CD1 3.83Å; T263-L265 PolarHBondContact O-N 2.92Å; L265-H269 HydrophobicContact CD2-CB 4.31Å; L265-V271 HydrophobicContact CD1-CG2 3.77Å; L265-V271 HydrophobicContact CD2-CG2 3.9Å; L265-V291 HydrophobicContact CD1-CG2 4.25Å
266R82.5Confident83.7Confident183 Ų18357.9 Ų57.969%0.69130%0.298SS*.  trans-131.5164.3173.1-59.7179.7173.7-177.8-3.3108.7H269R266-H269 PolarHBondContact N-ND1 2.91Å; R266-H269 VanDerWaalsContact O-CB 3.3Å; R266-H269 WeakPolarHBondContact O-CB 3.29Å; R266-H269 PolarHBondContact O-N 2.88Å; R266-H269 VanDerWaalsContact O-N 3.15Å
267S82.6Confident83.5Confident64 Ų6459.4 Ų59.445%0.44831%0.306SS..THydrogen-bonded Turntrans-47.914316454.70000111.2H269S267-H269 PolarHBondContact O-N 2.85Å
268S84.7Confident83.3Confident97 Ų9763.4 Ų63.468%0.67833%0.327SS*.THydrogen-bonded Turntrans68.1-3.9-173.585.20000117.4V291S268-V291 PolarHBondContact N-O 2.82Å
269H86.8Confident83.2Confident74 Ų7470 Ų7034%0.34335%0.352SS..  trans-63.2139.5168.8-74.1-159.8000111.1L265 R266 S267 V291L265-H269 HydrophobicContact CD2-CB 4.31Å; R266-H269 PolarHBondContact N-ND1 2.91Å; R266-H269 VanDerWaalsContact O-CB 3.3Å; R266-H269 WeakPolarHBondContact O-CB 3.29Å; R266-H269 PolarHBondContact O-N 2.88Å; R266-H269 VanDerWaalsContact O-N 3.15Å; S267-H269 PolarHBondContact O-N 2.85Å; H269-V291 HydrophobicContact CB-CG2 4.4Å; H269-V291 WeakPolarHBondContact O-CG2 3.43Å; H269-V291 PolarHBondContact O-N 2.78Å
270T90Very high83Confident83 Ų8371.1 Ų71.151%0.50936%0.359SS..EExtended strand (participates in β ladder)trans-94.8132.7171.651.60000111.1L288 G289 I290T270-L288 HydrophobicContact CG2-CD1 4.49Å; T270-G289 CarbonylContact C-O 3.59Å; T270-G289 VanDerWaalsContact CA-O 3.27Å; T270-G289 WeakPolarHBondContact CA-O 3.14Å; T270-I290 HydrophobicContact CG2-CG1 4.43Å
271V90.8Very high83.4Confident2 Ų266.9 Ų66.91%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-124.4125.5175.9-178.30000108.9L265 G289 V291 W300 A312L265-V271 HydrophobicContact CD1-CG2 3.77Å; L265-V271 HydrophobicContact CD2-CG2 3.9Å; V271-G289 PolarHBondContact N-O 2.72Å; V271-G289 PolarHBondContact O-N 2.96Å; V271-V291 HydrophobicContact CG2-CG2 3.96Å; V271-W300 PolarHBondContact O-NE1 2.03Å; V271-A312 HydrophobicContact CG1-CB 4.06Å
272P91.8Very high84.5Confident8 Ų859.6 Ų59.65%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-56.3139.7179.2-22.931.3000114W274 G287 L288 A312 A313P272-W274 HydrophobicContact CB-CZ2 4.44Å; P272-G287 CarbonylContact C-O 3.48Å; P272-G287 VanDerWaalsContact CA-O 3.27Å; P272-G287 WeakPolarHBondContact CA-O 3.3Å; P272-L288 HydrophobicContact CB-CD2 4.13Å; P272-L288 HydrophobicContact CG-CD2 3.82Å; P272-A312 WeakPolarHBondContact O-CA 3.5Å; P272-A313 WeakPolarHBondContact CB-O 3.35Å; P272-A313 WeakPolarHBondContact CD-O 3.27Å; P272-A313 PolarHBondContact O-N 3.26Å
273A93.6Very high85.9Confident0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-100.7128.1177.300000109.8H286 G287 W300 Y302 W310A273-H286 PolarHBondContact O-N 2.9Å; A273-G287 PolarHBondContact N-O 3.36Å; A273-W300 HydrophobicContact CB-CH2 4.11Å; A273-W300 HydrophobicContact CB-CZ2 3.75Å; A273-Y302 HydrophobicContact CB-CD1 3.67Å; A273-Y302 HydrophobicContact CB-CD2 3.66Å; A273-Y302 HydrophobicContact CB-CE1 3.52Å; A273-Y302 HydrophobicContact CB-CE2 3.52Å; A273-Y302 HydrophobicContact CB-CG 3.73Å; A273-Y302 VanDerWaalsContact CB-CZ 3.46Å; A273-W310 HydrophobicContact CB-CZ3 4.4Å
274W92.9Very high87.2Confident0 Ų054.5 Ų54.50%028%0.275CS..EExtended strand (participates in β ladder)trans-124.4135.3178.7-45.573.1000110.3I219 L230 P272 W283 E284 N285 W310 I311 A313 H315I219-W274 HydrophobicContact CD1-CH2 3.9Å; I219-W274 HydrophobicContact CG1-CH2 3.72Å; I219-W274 HydrophobicContact CG1-CZ3 3.96Å; L230-W274 HydrophobicContact CD1-CB 4.47Å; L230-W274 HydrophobicContact CD1-CD2 3.5Å; L230-W274 VanDerWaalsContact CD1-CD2 3.5Å; L230-W274 HydrophobicContact CD1-CE3 3.67Å; L230-W274 HydrophobicContact CD1-CG 3.87Å; L230-W274 HydrophobicContact CD1-CH2 4.31Å; L230-W274 HydrophobicContact CD1-CZ2 4.17Å; L230-W274 HydrophobicContact CD1-CZ3 4.07Å; L230-W274 HydrophobicContact CD2-CD2 4.26Å; L230-W274 HydrophobicContact CD2-CE3 4.44Å; L230-W274 HydrophobicContact CD2-CH2 3.57Å; L230-W274 HydrophobicContact CD2-CZ2 3.33Å; L230-W274 HydrophobicContact CD2-CZ3 4.13Å; L230-W274 HydrophobicContact CG-CZ2 4.4Å; P272-W274 HydrophobicContact CB-CZ2 4.44Å; W274-W283 HydrophobicContact CB-CB 4.1Å; W274-W283 HydrophobicContact CB-CE3 4.17Å; W274-W283 HydrophobicContact CE3-CB 4.41Å; W274-E284 CarbonylContact C-O 3.56Å; W274-E284 VanDerWaalsContact CA-O 3.23Å; W274-E284 WeakPolarHBondContact CA-O 3.06Å; W274-N285 HydrophobicContact CD2-CB 4.2Å; W274-N285 HydrophobicContact CE3-CB 3.7Å; W274-N285 HydrophobicContact CH2-CB 4.22Å; W274-N285 HydrophobicContact CZ3-CB 3.72Å; W274-W310 CarbonylContact O-C 3.54Å; W274-W310 VanDerWaalsContact O-CA 3.32Å; W274-W310 WeakPolarHBondContact O-CA 3.46Å; W274-I311 HydrophobicContact CB-CD1 4.43Å; W274-I311 HydrophobicContact CB-CG1 3.82Å; W274-I311 HydrophobicContact CG-CG1 4.26Å; W274-I311 PolarHBondContact N-O 2.83Å; W274-I311 PolarHBondContact O-N 3.48Å; W274-A313 PolarHBondContact NE1-O 2.78Å; W274-H315 AromaticContact CH2-CE1 3.74Å; W274-H315 AromaticContact CH2-ND1 3.78Å; W274-H315 AromaticContact CZ2-CE1 3.43Å; W274-H315 VanDerWaalsContact CZ2-CE1 3.43Å; W274-H315 WeakPolarHBondContact CZ2-CE1 3.36Å; W274-H315 AromaticContact CZ2-ND1 3.42Å; W274-H315 WeakPolarHBondContact CZ2-ND1 3.41Å
275A93.4Very high88.1Confident3 Ų348.3 Ų48.33%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-100.2145.5171.200000109.8W283 E284 H286 Y309 W310A275-W283 CarbonylContact O-C 3.56Å; A275-W283 WeakPolarHBondContact O-CA 3.4Å; A275-E284 PolarHBondContact N-O 3.01Å; A275-E284 PolarHBondContact O-N 3.06Å; A275-H286 VanDerWaalsContact CB-CD2 3.47Å; A275-H286 WeakPolarHBondContact CB-CD2 3.35Å; A275-Y309 WeakPolarHBondContact CA-O 3.35Å; A275-W310 HydrophobicContact CB-CD2 4.09Å; A275-W310 HydrophobicContact CB-CE3 3.93Å; A275-W310 HydrophobicContact CB-CH2 3.82Å; A275-W310 HydrophobicContact CB-CZ2 3.97Å; A275-W310 HydrophobicContact CB-CZ3 3.8Å
276F91.6Very high88.6Confident17 Ų1750.6 Ų50.68%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-85.1119172.2-169.5-114000110.4L120 P128 P130 L278 G281 A282 W283 Y309L120-F276 HydrophobicContact CD1-CE1 3.66Å; L120-F276 HydrophobicContact CD1-CZ 3.76Å; L120-F276 HydrophobicContact CD2-CE1 3.86Å; L120-F276 HydrophobicContact CD2-CZ 4.06Å; L120-F276 HydrophobicContact CG-CE1 4.41Å; L120-F276 HydrophobicContact CG-CZ 4.46Å; P128-F276 HydrophobicContact CB-CE1 4.34Å; P130-F276 HydrophobicContact CB-CE2 3.7Å; P130-F276 HydrophobicContact CB-CZ 3.75Å; P130-F276 HydrophobicContact CG-CD2 4.18Å; P130-F276 HydrophobicContact CG-CE2 3.58Å; P130-F276 HydrophobicContact CG-CZ 3.88Å; F276-L278 HydrophobicContact CD1-CD2 4.13Å; F276-L278 HydrophobicContact CE1-CD2 3.91Å; F276-G281 VanDerWaalsContact CE2-C 3.42Å; F276-G281 WeakPolarHBondContact CE2-O 3.24Å; F276-A282 WeakPolarHBondContact CD2-O 3.19Å; F276-W283 HydrophobicContact CB-CD2 4.18Å; F276-W283 HydrophobicContact CB-CE3 3.79Å; F276-W283 HydrophobicContact CB-CH2 3.78Å; F276-W283 HydrophobicContact CB-CZ2 4.16Å; F276-W283 HydrophobicContact CB-CZ3 3.59Å; F276-W283 AromaticContact CD2-CD2 3.92Å; F276-W283 HydrophobicContact CD2-CD2 3.92Å; F276-W283 AromaticContact CD2-CE2 3.76Å; F276-W283 HydrophobicContact CD2-CE3 4.39Å; F276-W283 HydrophobicContact CD2-CG 4.25Å; F276-W283 HydrophobicContact CD2-CZ2 4.11Å; F276-W283 AromaticContact CD2-NE1 3.97Å; F276-W283 HydrophobicContact CG-CH2 4.45Å; F276-W283 HydrophobicContact CG-CZ2 4.38Å; F276-Y309 HydrophobicContact CB-CD1 4.01Å; F276-Y309 HydrophobicContact CB-CG 4.33Å; F276-Y309 HydrophobicContact CD1-CD1 4.43Å; F276-Y309 HydrophobicContact CG-CD1 4.33Å; F276-Y309 PolarHBondContact N-O 3.27Å
277N89.8Confident88.9Confident45 Ų4543.2 Ų43.224%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-98.6107.4178.1-178.6-0.5000110.6K279 T280 G281 A282 E284N277-K279 PolarHBondContact O-N 3.35Å; N277-K279 WeakPolarHBondContact OD1-CB 3.46Å; N277-K279 PolarHBondContact OD1-N 2.77Å; N277-T280 WeakPolarHBondContact CB-OG1 3.44Å; N277-T280 PolarHBondContact O-N 2.89Å; N277-T280 PolarHBondContact O-OG1 3.35Å; N277-G281 PolarHBondContact O-N 3.38Å; N277-A282 PolarHBondContact N-O 2.95Å; N277-E284 HydrophobicContact CB-CG 4.42Å; N277-E284 VanDerWaalsContact CB-OE1 3.32Å; N277-E284 WeakPolarHBondContact CB-OE1 3.44Å; N277-E284 VanDerWaalsContact ND2-CD 3.34Å; N277-E284 PolarHBondContact ND2-OE1 2.85Å; N277-E284 PolarHBondContact ND2-OE2 2.98Å
278L87.6Confident89.3Confident88 Ų8845 Ų4546%0.46124%0.243SC..THydrogen-bonded Turntrans-56.1-21.9176.8-66.2168.9000113.6Y88 L120 P128 F276Y88-L278 PolarHBondContact OH-O 2.8Å; L120-L278 HydrophobicContact CD2-CD2 3.96Å; P128-L278 HydrophobicContact CB-CD2 3.99Å; P128-L278 HydrophobicContact CG-CD2 4.12Å; F276-L278 HydrophobicContact CD1-CD2 4.13Å; F276-L278 HydrophobicContact CE1-CD2 3.91Å
279K87.4Confident89.7Confident178 Ų17840.3 Ų40.377%0.77421%0.211SC*.THydrogen-bonded Turntrans-81.8-24.3178.6-59.9-172.9178.6-1740113.6N277N277-K279 PolarHBondContact O-N 3.35Å; N277-K279 WeakPolarHBondContact OD1-CB 3.46Å; N277-K279 PolarHBondContact OD1-N 2.77Å
280T83.8Confident90Very high30 Ų3040.7 Ų40.718%0.18421%0.214CC..THydrogen-bonded Turntrans-111.9-9.2-178.9580000113Y88 H91 N277 A282 E284Y88-T280 VanDerWaalsContact CD1-C 3.5Å; H91-T280 WeakPolarHBondContact CA-O 3.42Å; H91-T280 WeakPolarHBondContact O-CA 3.32Å; N277-T280 WeakPolarHBondContact CB-OG1 3.44Å; N277-T280 PolarHBondContact O-N 2.89Å; N277-T280 PolarHBondContact O-OG1 3.35Å; T280-A282 PolarHBondContact O-N 3.38Å; T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 PolarHBondContact OG1-OE1 3.12Å
281G83.3Confident90.1Very high0 Ų036.8 Ų36.80%019%0.19CC..THydrogen-bonded Turntrans68.920.1178.200000113.5F276 N277F276-G281 VanDerWaalsContact CE2-C 3.42Å; F276-G281 WeakPolarHBondContact CE2-O 3.24Å; N277-G281 PolarHBondContact O-N 3.38Å
282A85.9Confident90.1Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-147.5172.8-168.700000113.5H91 I218 F276 N277 T280H91-A282 VanDerWaalsContact ND1-CB 3.27Å; H91-A282 WeakPolarHBondContact ND1-CB 3.38Å; I218-A282 HydrophobicContact CD1-CB 3.79Å; I218-A282 HydrophobicContact CG1-CB 3.95Å; F276-A282 WeakPolarHBondContact CD2-O 3.19Å; N277-A282 PolarHBondContact N-O 2.95Å; T280-A282 PolarHBondContact O-N 3.38Å
283W90.1Very high90Very high0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-92.7123.5-177.9-63.496.2000111.8T215 P216 G217 I218 L230 W274 A275 F276 Y309 I311T215-W283 PolarHBondContact OG1-NE1 3.06Å; P216-W283 PolarHBondContact O-N 2.93Å; G217-W283 CarbonylContact C-O 3.27Å; G217-W283 WeakPolarHBondContact CA-O 2.99Å; I218-W283 PolarHBondContact N-O 2.87Å; L230-W283 HydrophobicContact CD1-CB 3.68Å; L230-W283 HydrophobicContact CD1-CG 4.14Å; W274-W283 HydrophobicContact CB-CB 4.1Å; W274-W283 HydrophobicContact CB-CE3 4.17Å; W274-W283 HydrophobicContact CE3-CB 4.41Å; A275-W283 CarbonylContact O-C 3.56Å; A275-W283 WeakPolarHBondContact O-CA 3.4Å; F276-W283 HydrophobicContact CB-CD2 4.18Å; F276-W283 HydrophobicContact CB-CE3 3.79Å; F276-W283 HydrophobicContact CB-CH2 3.78Å; F276-W283 HydrophobicContact CB-CZ2 4.16Å; F276-W283 HydrophobicContact CB-CZ3 3.59Å; F276-W283 AromaticContact CD2-CD2 3.92Å; F276-W283 HydrophobicContact CD2-CD2 3.92Å; F276-W283 AromaticContact CD2-CE2 3.76Å; F276-W283 HydrophobicContact CD2-CE3 4.39Å; F276-W283 HydrophobicContact CD2-CG 4.25Å; F276-W283 HydrophobicContact CD2-CZ2 4.11Å; F276-W283 AromaticContact CD2-NE1 3.97Å; F276-W283 HydrophobicContact CG-CH2 4.45Å; F276-W283 HydrophobicContact CG-CZ2 4.38Å; W283-Y309 AromaticContact CH2-CD1 3.58Å; W283-Y309 HydrophobicContact CH2-CD1 3.58Å; W283-Y309 AromaticContact CH2-CD2 3.89Å; W283-Y309 HydrophobicContact CH2-CD2 3.89Å; W283-Y309 AromaticContact CH2-CE1 3.56Å; W283-Y309 HydrophobicContact CH2-CE1 3.56Å; W283-Y309 AromaticContact CH2-CE2 3.87Å; W283-Y309 HydrophobicContact CH2-CE2 3.87Å; W283-Y309 AromaticContact CH2-CG 3.76Å; W283-Y309 HydrophobicContact CH2-CG 3.76Å; W283-Y309 AromaticContact CH2-CZ 3.71Å; W283-Y309 HydrophobicContact CZ2-CD1 4.06Å; W283-Y309 AromaticContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ3-CG 4.4Å; W283-I311 HydrophobicContact CD2-CD1 3.59Å; W283-I311 HydrophobicContact CD2-CG1 3.99Å; W283-I311 HydrophobicContact CE3-CD1 3.78Å; W283-I311 HydrophobicContact CE3-CG1 3.6Å; W283-I311 HydrophobicContact CE3-CG2 4.46Å; W283-I311 HydrophobicContact CG-CD1 3.99Å; W283-I311 HydrophobicContact CH2-CB 4.39Å; W283-I311 HydrophobicContact CH2-CD1 4.39Å; W283-I311 HydrophobicContact CH2-CG1 4.24Å; W283-I311 HydrophobicContact CH2-CG2 3.53Å; W283-I311 HydrophobicContact CZ2-CD1 4.23Å; W283-I311 HydrophobicContact CZ2-CG2 3.99Å; W283-I311 HydrophobicContact CZ3-CB 4.17Å; W283-I311 HydrophobicContact CZ3-CD1 4.17Å; W283-I311 HydrophobicContact CZ3-CG1 3.74Å; W283-I311 HydrophobicContact CZ3-CG2 3.79Å
284E90.3Very high89.6Confident49 Ų4946.8 Ų46.823%0.22925%0.249CC..EExtended strand (participates in β ladder)trans-107.8131.9-178.7-72170.8-157.200110.5I218 W274 A275 N277 T280 H286I218-E284 HydrophobicContact CB-CG 4.43Å; I218-E284 HydrophobicContact CD1-CG 4.32Å; W274-E284 CarbonylContact C-O 3.56Å; W274-E284 VanDerWaalsContact CA-O 3.23Å; W274-E284 WeakPolarHBondContact CA-O 3.06Å; A275-E284 PolarHBondContact N-O 3.01Å; A275-E284 PolarHBondContact O-N 3.06Å; N277-E284 HydrophobicContact CB-CG 4.42Å; N277-E284 VanDerWaalsContact CB-OE1 3.32Å; N277-E284 WeakPolarHBondContact CB-OE1 3.44Å; N277-E284 VanDerWaalsContact ND2-CD 3.34Å; N277-E284 PolarHBondContact ND2-OE1 2.85Å; N277-E284 PolarHBondContact ND2-OE2 2.98Å; T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 PolarHBondContact OG1-OE1 3.12Å; E284-H286 PolarHBondContact O-CD2 3.22Å; E284-H286 VanDerWaalsContact O-CD2 3.24Å; E284-H286 PolarHBondContact O-N 3.5Å
285N90.8Very high89.1Confident60 Ų6050 Ų5032%0.32128%0.282SS..EExtended strand (participates in β ladder)trans-75.9121.3-177.4-175.1-11.1000111.2W274 G287 H315W274-N285 HydrophobicContact CD2-CB 4.2Å; W274-N285 HydrophobicContact CE3-CB 3.7Å; W274-N285 HydrophobicContact CH2-CB 4.22Å; W274-N285 HydrophobicContact CZ3-CB 3.72Å; N285-G287 PolarHBondContact OD1-N 3.42Å; N285-G287 PolarHBondContact OD1-O 2.85Å; N285-H315 PolarHBondContact ND2-CE1 2.97Å
286H90.4Very high88.5Confident81 Ų8157.9 Ų57.938%0.37532%0.324SS..EExtended strand (participates in β ladder)trans-11616.1179.5-72.3-76.6000113.9A273 A275 E284 Y302 W310A273-H286 PolarHBondContact O-N 2.9Å; A275-H286 VanDerWaalsContact CB-CD2 3.47Å; A275-H286 WeakPolarHBondContact CB-CD2 3.35Å; E284-H286 PolarHBondContact O-CD2 3.22Å; E284-H286 VanDerWaalsContact O-CD2 3.24Å; E284-H286 PolarHBondContact O-N 3.5Å; H286-Y302 WeakPolarHBondContact CB-OH 3.23Å; H286-Y302 PolarHBondContact O-OH 3.15Å; H286-W310 HydrophobicContact CB-CH2 3.96Å; H286-W310 HydrophobicContact CB-CZ3 3.88Å
287G89.8Confident88.3Confident29 Ų2959.5 Ų59.530%0.29933%0.332SS..EExtended strand (participates in β ladder)trans124.3-151170.900000113.7P272 A273 N285P272-G287 CarbonylContact C-O 3.48Å; P272-G287 VanDerWaalsContact CA-O 3.27Å; P272-G287 WeakPolarHBondContact CA-O 3.3Å; A273-G287 PolarHBondContact N-O 3.36Å; N285-G287 PolarHBondContact OD1-N 3.42Å; N285-G287 PolarHBondContact OD1-O 2.85Å
288L91.6Very high88.3Confident100 Ų10059.2 Ų59.252%0.52433%0.33SS..EExtended strand (participates in β ladder)trans-122.1126.3-173.6-59177.5000110.8T270 P272T270-L288 HydrophobicContact CG2-CD1 4.49Å; P272-L288 HydrophobicContact CB-CD2 4.13Å; P272-L288 HydrophobicContact CG-CD2 3.82Å
289G92.4Very high88.5Confident0 Ų055.4 Ų55.40%031%0.31CS..EExtended strand (participates in β ladder)trans-89.6162.1162.300000111.5T270 V271 T301T270-G289 CarbonylContact C-O 3.59Å; T270-G289 VanDerWaalsContact CA-O 3.27Å; T270-G289 WeakPolarHBondContact CA-O 3.14Å; V271-G289 PolarHBondContact N-O 2.72Å; V271-G289 PolarHBondContact O-N 2.96Å; G289-T301 CarbonylContact C-O 3.56Å; G289-T301 WeakPolarHBondContact CA-O 3.46Å
290I93.2Very high88.8Confident82 Ų8247 Ų4742%0.42127%0.273SS..EExtended strand (participates in β ladder)trans-117.4130-175.2-56.4173.2000109.6T270 T301T270-I290 HydrophobicContact CG2-CG1 4.43Å; I290-T301 PolarHBondContact N-O 3.17Å; I290-T301 PolarHBondContact O-N 3.11Å
291V92.5Very high89.3Confident0 Ų046.4 Ų46.40%027%0.27CS..EExtended strand (participates in β ladder)trans-79.3128.2172-176.40000109.9L259 L265 S268 H269 V271 L298L259-V291 HydrophobicContact CD1-CG1 3.88Å; L259-V291 HydrophobicContact CD1-CG2 3.87Å; L265-V291 HydrophobicContact CD1-CG2 4.25Å; S268-V291 PolarHBondContact N-O 2.82Å; H269-V291 HydrophobicContact CB-CG2 4.4Å; H269-V291 WeakPolarHBondContact O-CG2 3.43Å; H269-V291 PolarHBondContact O-N 2.78Å; V271-V291 HydrophobicContact CG2-CG2 3.96Å; V291-L298 HydrophobicContact CG1-CB 4Å; V291-L298 HydrophobicContact CG1-CD1 4.33Å; V291-L298 HydrophobicContact CG1-CD2 4.13Å; V291-L298 HydrophobicContact CG1-CG 4.39Å
292K90.9Very high89.9Confident100 Ų10047.4 Ų47.444%0.43527%0.274SS..EExtended strand (participates in β ladder)trans-119.7145.7175.6-61.3-177.5179.5-177.40109.4V294 L298 V299K292-V294 HydrophobicContact CB-CG2 4.49Å; K292-L298 CarbonylContact O-C 3.6Å; K292-L298 WeakPolarHBondContact O-CA 3.33Å; K292-V299 PolarHBondContact N-O 2.77Å; K292-V299 PolarHBondContact O-N 3.17Å
293A88.9Confident90.3Very high60 Ų6051.5 Ų51.550%0.49630%0.299SS..EExtended strand (participates in β ladder)trans-80.5138.316300000109L298A293-L298 HydrophobicContact CB-CD2 4.28Å
294V85.6Confident90.6Very high60 Ų6051.5 Ų51.536%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-138.287.3179.5-176.70000107.7K292 E297 V299K292-V294 HydrophobicContact CB-CG2 4.49Å; V294-E297 PolarHBondContact N-O 3.15Å; V294-V299 HydrophobicContact CB-CG2 3.97Å; V294-V299 HydrophobicContact CG2-CB 3.96Å; V294-V299 HydrophobicContact CG2-CG2 3.8Å
295G82.5Confident90.7Very high68 Ų6852 Ų5270%0.70131%0.308SS*.THydrogen-bonded Turntrans66.7-140.5-15700000109.6E297G295-E297 VanDerWaalsContact C-N 3.32Å
296D80.6Confident90.9Very high169 Ų16951 Ų5190%0.90430%0.301SS*.THydrogen-bonded Turntrans-79.4-13.3-179.7-55.2-45.8000113.5
297E86.5Confident91Very high51 Ų5147.8 Ų47.824%0.23829%0.286CS..EExtended strand (participates in β ladder)trans-89.4146.6-180-72.6-169.2-123.800113.2S174 V294 G295S174-E297 WeakPolarHBondContact CB-OE1 3.36Å; S174-E297 WeakPolarHBondContact CB-OE2 3.43Å; S174-E297 PolarHBondContact OG-OE1 2.85Å; S174-E297 PolarHBondContact OG-OE2 2.87Å; V294-E297 PolarHBondContact N-O 3.15Å; G295-E297 VanDerWaalsContact C-N 3.32Å
298L89.5Confident91.2Very high39 Ų3947.2 Ų47.220%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-91.8128.3170.8-64.9-179.5000110.4L259 V291 K292 A293L259-L298 HydrophobicContact CB-CB 4.22Å; L259-L298 WeakPolarHBondContact CB-O 3.34Å; L259-L298 HydrophobicContact CD1-CB 4.3Å; L259-L298 PolarHBondContact N-O 3.46Å; V291-L298 HydrophobicContact CG1-CB 4Å; V291-L298 HydrophobicContact CG1-CD1 4.33Å; V291-L298 HydrophobicContact CG1-CD2 4.13Å; V291-L298 HydrophobicContact CG1-CG 4.39Å; K292-L298 CarbonylContact O-C 3.6Å; K292-L298 WeakPolarHBondContact O-CA 3.33Å; A293-L298 HydrophobicContact CB-CD2 4.28Å
299V91.6Very high91.3Very high7 Ų743.1 Ų43.14%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-121.1118.5179.4179.60000109.7L257 K292 V294L257-V299 CarbonylContact O-C 3.55Å; L257-V299 WeakPolarHBondContact O-CA 3.36Å; K292-V299 PolarHBondContact N-O 2.77Å; K292-V299 PolarHBondContact O-N 3.17Å; V294-V299 HydrophobicContact CB-CG2 3.97Å; V294-V299 HydrophobicContact CG2-CB 3.96Å; V294-V299 HydrophobicContact CG2-CG2 3.8Å
300W93.8Very high91.4Very high1 Ų143.1 Ų43.10%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-76.5126.9170.1176.886.7000110I255 S256 L257 L259 V271 A273 Y302 A312I255-W300 HydrophobicContact CG2-CZ3 4.12Å; S256-W300 WeakPolarHBondContact CA-O 3.46Å; L257-W300 HydrophobicContact CB-CE3 4.44Å; L257-W300 HydrophobicContact CD1-CE3 4Å; L257-W300 HydrophobicContact CD1-CZ3 4Å; L257-W300 HydrophobicContact CG-CE3 4.22Å; L257-W300 HydrophobicContact CG-CZ3 4.48Å; L257-W300 PolarHBondContact N-O 3.26Å; L257-W300 PolarHBondContact O-N 2.69Å; L259-W300 HydrophobicContact CD1-CB 4.18Å; L259-W300 HydrophobicContact CD2-CB 3.79Å; L259-W300 HydrophobicContact CG-CB 4.12Å; V271-W300 PolarHBondContact O-NE1 2.03Å; A273-W300 HydrophobicContact CB-CH2 4.11Å; A273-W300 HydrophobicContact CB-CZ2 3.75Å; W300-Y302 VanDerWaalsContact CH2-CB 3.48Å; W300-Y302 AromaticContact CH2-CD1 3.94Å; W300-Y302 HydrophobicContact CH2-CD1 3.94Å; W300-Y302 AromaticContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CZ2-CD1 4.39Å; W300-Y302 AromaticContact CZ2-CG 3.99Å; W300-Y302 HydrophobicContact CZ2-CG 3.99Å; W300-A312 HydrophobicContact CD2-CB 3.63Å; W300-A312 HydrophobicContact CE3-CB 4.09Å; W300-A312 HydrophobicContact CG-CB 4.03Å; W300-A312 HydrophobicContact CH2-CB 4.08Å; W300-A312 HydrophobicContact CZ2-CB 3.63Å; W300-A312 HydrophobicContact CZ3-CB 4.3Å
301T94.3Very high91.4Very high18 Ų1839.2 Ų39.211%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-120.2130.6179.3-54.20000110.4Q254 I255 G289 I290Q254-T301 HydrophobicContact CG-CG2 4.05Å; I255-T301 WeakPolarHBondContact O-CA 3.47Å; G289-T301 CarbonylContact C-O 3.56Å; G289-T301 WeakPolarHBondContact CA-O 3.46Å; I290-T301 PolarHBondContact N-O 3.17Å; I290-T301 PolarHBondContact O-N 3.11Å
302Y95.9Very high91.3Very high22 Ų2239.3 Ų39.39%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-145148.2178.6172.4-110.3000111I255 A273 H286 W300 A304 W310I255-Y302 PolarHBondContact N-O 3Å; I255-Y302 PolarHBondContact O-N 2.81Å; A273-Y302 HydrophobicContact CB-CD1 3.67Å; A273-Y302 HydrophobicContact CB-CD2 3.66Å; A273-Y302 HydrophobicContact CB-CE1 3.52Å; A273-Y302 HydrophobicContact CB-CE2 3.52Å; A273-Y302 HydrophobicContact CB-CG 3.73Å; A273-Y302 VanDerWaalsContact CB-CZ 3.46Å; H286-Y302 WeakPolarHBondContact CB-OH 3.23Å; H286-Y302 PolarHBondContact O-OH 3.15Å; W300-Y302 VanDerWaalsContact CH2-CB 3.48Å; W300-Y302 AromaticContact CH2-CD1 3.94Å; W300-Y302 HydrophobicContact CH2-CD1 3.94Å; W300-Y302 AromaticContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CH2-CG 3.92Å; W300-Y302 HydrophobicContact CZ2-CD1 4.39Å; W300-Y302 AromaticContact CZ2-CG 3.99Å; W300-Y302 HydrophobicContact CZ2-CG 3.99Å; Y302-A304 HydrophobicContact CD1-CB 4.16Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.89Å; Y302-W310 HydrophobicContact CD1-CE3 4.46Å; Y302-W310 HydrophobicContact CD1-CZ3 4.39Å; Y302-W310 AromaticContact CE1-CE3 3.89Å; Y302-W310 HydrophobicContact CE1-CE3 3.89Å; Y302-W310 AromaticContact CE1-CH2 3.81Å; Y302-W310 HydrophobicContact CE1-CH2 3.81Å; Y302-W310 AromaticContact CE1-CZ3 3.42Å; Y302-W310 HydrophobicContact CE1-CZ3 3.42Å; Y302-W310 VanDerWaalsContact CE1-CZ3 3.42Å
303T95.9Very high91.2Very high85 Ų8534.5 Ų34.552%0.52122%0.218SC..EExtended strand (participates in β ladder)trans-100.395.8174.3-52.90000109P252 I253P252-T303 HydrophobicContact CB-CG2 3.74Å; I253-T303 CarbonylContact O-C 3.59Å; I253-T303 WeakPolarHBondContact O-CA 3.38Å
304A95.4Very high91Very high1 Ų134.2 Ų34.21%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-69.3157.8173.600000111.6I253 I255 Y302 W310I253-A304 HydrophobicContact CB-CB 4.35Å; I253-A304 PolarHBondContact N-O 3.19Å; I253-A304 PolarHBondContact O-N 2.91Å; I255-A304 HydrophobicContact CD1-CB 3.65Å; I255-A304 HydrophobicContact CG1-CB 4.17Å; Y302-A304 HydrophobicContact CD1-CB 4.16Å; Y302-A304 VanDerWaalsContact CE1-CA 3.44Å; Y302-A304 HydrophobicContact CE1-CB 3.89Å; A304-W310 HydrophobicContact CB-CD2 4.33Å; A304-W310 HydrophobicContact CB-CH2 4.06Å; A304-W310 HydrophobicContact CB-CZ2 3.51Å
305S93.6Very high90.4Very high58 Ų5835.2 Ų35.241%0.40621%0.212SC..EExtended strand (participates in β ladder)trans-96.3-10.9177.758.50000114.1R250 G251R250-S305 WeakPolarHBondContact CA-O 3.45Å; G251-S305 PolarHBondContact N-O 3.16Å; G251-S305 CarbonylContact O-C 3.52Å; G251-S305 VanDerWaalsContact O-C 3.27Å; G251-S305 WeakPolarHBondContact O-CA 3.32Å
306H93.9Very high89.5Confident40 Ų4035.4 Ų35.419%0.18520%0.201CC..EExtended strand (participates in β ladder)trans-160.6154.7-17857.9-72.8000111.2V249 R250 W310V249-H306 WeakPolarHBondContact O-CA 3.35Å; R250-H306 HydrophobicContact CG-CB 4.18Å; H306-W310 AromaticContact CE1-CH2 3.99Å; H306-W310 AromaticContact CE1-CZ2 3.47Å; H306-W310 VanDerWaalsContact CE1-CZ2 3.47Å; H306-W310 WeakPolarHBondContact CE1-CZ2 3.41Å; H306-W310 AromaticContact ND1-CZ2 3.66Å; H306-W310 PolarHBondContact O-NE1 2.71Å
307L93.4Very high87.9Confident13 Ų1331.2 Ų31.27%0.06819%0.185CC..SBendtrans-69.8154.1164.4-66-179.1000110F180 I238 L240 V249 I253F180-L307 HydrophobicContact CE1-CD1 4.46Å; I238-L307 HydrophobicContact CB-CD2 4.14Å; I238-L307 HydrophobicContact CG2-CD2 3.8Å; L240-L307 HydrophobicContact CB-CD1 3.88Å; V249-L307 HydrophobicContact CB-CD1 3.75Å; V249-L307 HydrophobicContact CB-CG 3.97Å; V249-L307 HydrophobicContact CG1-CD1 4.49Å; V249-L307 HydrophobicContact CG2-CD1 3.85Å; V249-L307 PolarHBondContact O-N 2.89Å; V249-L307 VanDerWaalsContact O-N 3.16Å; I253-L307 HydrophobicContact CD1-CD2 4.01Å; I253-L307 HydrophobicContact CD1-CG 3.98Å; I253-L307 HydrophobicContact CG2-CD2 4.05Å
308G93.1Very high85.7Confident18 Ų1833.9 Ų33.919%0.18622%0.215CC..EExtended strand (participates in β ladder)trans149.8-158-17300000112.7I238I238-G308 PolarHBondContact N-O 2.79Å; I238-G308 PolarHBondContact O-N 2.94Å
309Y93.8Very high83.4Confident13 Ų1336.6 Ų36.65%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-101.6122.5-179.7-170.9-160.9000111.2V127 P128 P203 H206 V236 A275 F276 W283V127-Y309 HydrophobicContact CG1-CD1 4.08Å; V127-Y309 HydrophobicContact CG1-CD2 4.46Å; V127-Y309 HydrophobicContact CG1-CE1 3.72Å; V127-Y309 HydrophobicContact CG1-CE2 4.15Å; V127-Y309 HydrophobicContact CG1-CG 4.44Å; P128-Y309 WeakPolarHBondContact O-CE1 3.41Å; P203-Y309 HydrophobicContact CG-CE2 3.89Å; H206-Y309 PolarHBondContact CD2-OH 3.29Å; H206-Y309 PolarHBondContact NE2-OH 3.16Å; V236-Y309 WeakPolarHBondContact O-CD2 3.32Å; A275-Y309 WeakPolarHBondContact CA-O 3.35Å; F276-Y309 HydrophobicContact CB-CD1 4.01Å; F276-Y309 HydrophobicContact CB-CG 4.33Å; F276-Y309 HydrophobicContact CD1-CD1 4.43Å; F276-Y309 HydrophobicContact CG-CD1 4.33Å; F276-Y309 PolarHBondContact N-O 3.27Å; W283-Y309 AromaticContact CH2-CD1 3.58Å; W283-Y309 HydrophobicContact CH2-CD1 3.58Å; W283-Y309 AromaticContact CH2-CD2 3.89Å; W283-Y309 HydrophobicContact CH2-CD2 3.89Å; W283-Y309 AromaticContact CH2-CE1 3.56Å; W283-Y309 HydrophobicContact CH2-CE1 3.56Å; W283-Y309 AromaticContact CH2-CE2 3.87Å; W283-Y309 HydrophobicContact CH2-CE2 3.87Å; W283-Y309 AromaticContact CH2-CG 3.76Å; W283-Y309 HydrophobicContact CH2-CG 3.76Å; W283-Y309 AromaticContact CH2-CZ 3.71Å; W283-Y309 HydrophobicContact CZ2-CD1 4.06Å; W283-Y309 AromaticContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ2-CE1 3.7Å; W283-Y309 HydrophobicContact CZ3-CG 4.4Å
310W94.3Very high80.7Confident1 Ų139.4 Ų39.40%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-129144.2-172-71.291.9000112.1A235 V236 I255 A273 W274 A275 H286 Y302 A304 H306A235-W310 CarbonylContact C-O 3.58Å; A235-W310 WeakPolarHBondContact CA-O 3.45Å; V236-W310 HydrophobicContact CG1-CB 4.19Å; V236-W310 PolarHBondContact N-O 3.4Å; V236-W310 PolarHBondContact O-N 2.97Å; I255-W310 HydrophobicContact CD1-CB 4.43Å; I255-W310 HydrophobicContact CD1-CD2 4.46Å; I255-W310 HydrophobicContact CD1-CG 4Å; A273-W310 HydrophobicContact CB-CZ3 4.4Å; W274-W310 CarbonylContact O-C 3.54Å; W274-W310 VanDerWaalsContact O-CA 3.32Å; W274-W310 WeakPolarHBondContact O-CA 3.46Å; A275-W310 HydrophobicContact CB-CD2 4.09Å; A275-W310 HydrophobicContact CB-CE3 3.93Å; A275-W310 HydrophobicContact CB-CH2 3.82Å; A275-W310 HydrophobicContact CB-CZ2 3.97Å; A275-W310 HydrophobicContact CB-CZ3 3.8Å; H286-W310 HydrophobicContact CB-CH2 3.96Å; H286-W310 HydrophobicContact CB-CZ3 3.88Å; Y302-W310 HydrophobicContact CD1-CE3 4.46Å; Y302-W310 HydrophobicContact CD1-CZ3 4.39Å; Y302-W310 AromaticContact CE1-CE3 3.89Å; Y302-W310 HydrophobicContact CE1-CE3 3.89Å; Y302-W310 AromaticContact CE1-CH2 3.81Å; Y302-W310 HydrophobicContact CE1-CH2 3.81Å; Y302-W310 AromaticContact CE1-CZ3 3.42Å; Y302-W310 HydrophobicContact CE1-CZ3 3.42Å; Y302-W310 VanDerWaalsContact CE1-CZ3 3.42Å; A304-W310 HydrophobicContact CB-CD2 4.33Å; A304-W310 HydrophobicContact CB-CH2 4.06Å; A304-W310 HydrophobicContact CB-CZ2 3.51Å; H306-W310 AromaticContact CE1-CH2 3.99Å; H306-W310 AromaticContact CE1-CZ2 3.47Å; H306-W310 VanDerWaalsContact CE1-CZ2 3.47Å; H306-W310 WeakPolarHBondContact CE1-CZ2 3.41Å; H306-W310 AromaticContact ND1-CZ2 3.66Å; H306-W310 PolarHBondContact O-NE1 2.71Å
311I92.9Very high78.1Confident0 Ų046.1 Ų46.10%030%0.297CS..EExtended strand (participates in β ladder)trans-128.1146.4167.160.7179.2000112.1L230 A232 A234 A235 W274 W283 A313L230-I311 HydrophobicContact CB-CD1 4.4Å; L230-I311 HydrophobicContact CD1-CD1 3.93Å; A232-I311 HydrophobicContact CB-CB 4.07Å; A232-I311 HydrophobicContact CB-CD1 4.35Å; A232-I311 HydrophobicContact CB-CG2 4.14Å; A234-I311 WeakPolarHBondContact O-CA 3.47Å; A235-I311 HydrophobicContact CB-CG2 3.73Å; W274-I311 HydrophobicContact CB-CD1 4.43Å; W274-I311 HydrophobicContact CB-CG1 3.82Å; W274-I311 HydrophobicContact CG-CG1 4.26Å; W274-I311 PolarHBondContact N-O 2.83Å; W274-I311 PolarHBondContact O-N 3.48Å; W283-I311 HydrophobicContact CD2-CD1 3.59Å; W283-I311 HydrophobicContact CD2-CG1 3.99Å; W283-I311 HydrophobicContact CE3-CD1 3.78Å; W283-I311 HydrophobicContact CE3-CG1 3.6Å; W283-I311 HydrophobicContact CE3-CG2 4.46Å; W283-I311 HydrophobicContact CG-CD1 3.99Å; W283-I311 HydrophobicContact CH2-CB 4.39Å; W283-I311 HydrophobicContact CH2-CD1 4.39Å; W283-I311 HydrophobicContact CH2-CG1 4.24Å; W283-I311 HydrophobicContact CH2-CG2 3.53Å; W283-I311 HydrophobicContact CZ2-CD1 4.23Å; W283-I311 HydrophobicContact CZ2-CG2 3.99Å; W283-I311 HydrophobicContact CZ3-CB 4.17Å; W283-I311 HydrophobicContact CZ3-CD1 4.17Å; W283-I311 HydrophobicContact CZ3-CG1 3.74Å; W283-I311 HydrophobicContact CZ3-CG2 3.79Å; I311-A313 HydrophobicContact CD1-CB 4.22Å; I311-A313 HydrophobicContact CG1-CB 4.45Å
312A91.6Very high75.4Confident1 Ų146.2 Ų46.21%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-95.1111.4163.200000107.6V233 A234 V271 P272 W300V233-A312 PolarHBondContact N-O 3.24Å; A234-A312 HydrophobicContact CB-CB 4.16Å; A234-A312 PolarHBondContact N-O 2.82Å; A234-A312 PolarHBondContact O-N 2.79Å; V271-A312 HydrophobicContact CG1-CB 4.06Å; P272-A312 WeakPolarHBondContact O-CA 3.5Å; W300-A312 HydrophobicContact CD2-CB 3.63Å; W300-A312 HydrophobicContact CE3-CB 4.09Å; W300-A312 HydrophobicContact CG-CB 4.03Å; W300-A312 HydrophobicContact CH2-CB 4.08Å; W300-A312 HydrophobicContact CZ2-CB 3.63Å; W300-A312 HydrophobicContact CZ3-CB 4.3Å
313A88.9Confident72.5Confident0 Ų052.1 Ų52.10%033%0.332CS..  trans-138.2121.3-178.800000110.7L230 K231 P272 W274 I311L230-A313 HydrophobicContact CB-CB 4.14Å; K231-A313 WeakPolarHBondContact O-CB 3.46Å; P272-A313 WeakPolarHBondContact CB-O 3.35Å; P272-A313 WeakPolarHBondContact CD-O 3.27Å; P272-A313 PolarHBondContact O-N 3.26Å; W274-A313 PolarHBondContact NE1-O 2.78Å; I311-A313 HydrophobicContact CD1-CB 4.22Å; I311-A313 HydrophobicContact CG1-CB 4.45Å
314P84.6Confident69.7Low54 Ų5456 Ų5635%0.35134%0.338SS..  trans-59146.6170.127.8-34.5000109.9K231 V233K231-P314 WeakPolarHBondContact O-CD 3.5Å; V233-P314 VanDerWaalsContact CG2-CD 3.46Å; V233-P314 HydrophobicContact CG2-CG 4.09Å
315H72.2Confident66.8Low81 Ų8163.5 Ų63.538%0.37537%0.37SS..  trans-58.3136.1164.1-64.2-51.6000108.7W274 N285 S317W274-H315 AromaticContact CH2-CE1 3.74Å; W274-H315 AromaticContact CH2-ND1 3.78Å; W274-H315 AromaticContact CZ2-CE1 3.43Å; W274-H315 VanDerWaalsContact CZ2-CE1 3.43Å; W274-H315 WeakPolarHBondContact CZ2-CE1 3.36Å; W274-H315 AromaticContact CZ2-ND1 3.42Å; W274-H315 WeakPolarHBondContact CZ2-ND1 3.41Å; N285-H315 PolarHBondContact ND2-CE1 2.97Å; H315-S317 PolarHBondContact O-N 2.79Å
316P63.1Low63.9Low72 Ų7263.8 Ų63.847%0.46838%0.383SS..  trans-59.4113.3170.226.4-33.5000107.3I228 E229I228-P316 HydrophobicContact CG2-CG 3.41Å; I228-P316 VanDerWaalsContact CG2-CG 3.41Å; E229-P316 WeakPolarHBondContact O-CD 3.45Å; E229-P316 WeakPolarHBondContact O-CG 3.39Å
317S47.1Very low61.4Low80 Ų8071.7 Ų71.756%0.55942%0.419SS*.  trans-61.3148.8176.8-175.80000108.9H315 K319 G320H315-S317 PolarHBondContact O-N 2.79Å; S317-K319 PolarHBondContact O-N 2.87Å; S317-K319 PolarHBondContact OG-N 2.86Å; S317-G320 PolarHBondContact O-N 2.81Å
318A40.2Very low58.8Low107 Ų10774.6 Ų74.688%0.88444%0.437SS*.THydrogen-bonded Turntrans-59-9.816900000112.6G320A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.23Å
319K41.8Very low56.7Low97 Ų9777.9 Ų77.942%0.42245%0.451SS..THydrogen-bonded Turntrans-76.717.6164.9-90.4-164.7172.3-168.80115.6S317 T321 S322 N329S317-K319 PolarHBondContact O-N 2.87Å; S317-K319 PolarHBondContact OG-N 2.86Å; K319-T321 PolarHBondContact O-N 2.89Å; K319-S322 WeakPolarHBondContact O-CA 3.41Å; K319-S322 WeakPolarHBondContact O-CB 3.27Å; K319-S322 PolarHBondContact O-N 2.93Å; K319-N329 PolarHBondContact NZ-O 2.88Å
320G35.4Very low54.4Low65 Ų6582 Ų8267%0.6748%0.481SS*.THydrogen-bonded Turntrans-53.2-23.8173.100000114.8S317 A318 S322S317-G320 PolarHBondContact O-N 2.81Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.23Å; G320-S322 VanDerWaalsContact C-N 3.33Å
321T39.1Very low52.3Low143 Ų14389.1 Ų89.188%0.87752%0.516SS*.THydrogen-bonded Turntrans-87.310.3172.9-22.90000114.2K319K319-T321 PolarHBondContact O-N 2.89Å
322S38.1Very low50.2Low19 Ų1991.6 Ų91.613%0.13353%0.53CS..  trans-110.8-13.1-169.8-163.80000114.9K319 G320 Y324 F325K319-S322 WeakPolarHBondContact O-CA 3.41Å; K319-S322 WeakPolarHBondContact O-CB 3.27Å; K319-S322 PolarHBondContact O-N 2.93Å; G320-S322 VanDerWaalsContact C-N 3.33Å; S322-Y324 PolarHBondContact O-N 2.86Å; S322-F325 CarbonylContact O-C 3.59Å; S322-F325 PolarHBondContact O-N 2.98Å; S322-F325 VanDerWaalsContact O-O 3.1Å
323D33.7Very low48.3Very low147 Ų14798.7 Ų98.779%0.78656%0.56SS**THydrogen-bonded Turntrans-76.3-2.8-173.5-71.6-3000113.7
324Y37.7Very low46.8Very low167 Ų167104.2 Ų104.266%0.65559%0.589SS**THydrogen-bonded Turntrans-93.5-4.5166.4-100.4-85.3000114.3S322 D487S322-Y324 PolarHBondContact O-N 2.86Å; Y324-D487 PolarHBondContact OH-OD1 3.27Å
325F34.7Very low45.6Very low158 Ų158103.4 Ų103.469%0.69359%0.585SS**SBendtrans-135.295.6176.4-86.3-82.8000111S322S322-F325 CarbonylContact O-C 3.59Å; S322-F325 PolarHBondContact O-N 2.98Å; S322-F325 VanDerWaalsContact O-O 3.1Å
326G32.9Very low45.3Very low64 Ų64107.1 Ų107.166%0.6660%0.596SS**THydrogen-bonded Turntrans-65.7145.2177.800000113.6V328G326-V328 VanDerWaalsContact C-N 3.33Å; G326-V328 PolarHBondContact O-N 3.47Å; G326-V328 VanDerWaalsContact O-N 3.12Å
327H40.5Very low45.7Very low205 Ų205108 Ų10895%0.94959%0.594SS**THydrogen-bonded Turntrans59.723.2158-95.775.6000119.3
328V39.7Very low47.2Very low75 Ų75107.5 Ų107.546%0.45559%0.588SS.*  trans-130.3178.8162.3-1140000110.7G326 D332G326-V328 VanDerWaalsContact C-N 3.33Å; G326-V328 PolarHBondContact O-N 3.47Å; G326-V328 VanDerWaalsContact O-N 3.12Å; V328-D332 WeakPolarHBondContact CB-OD2 3.27Å; V328-D332 WeakPolarHBondContact CG1-OD2 3.42Å
329N48.3Very low49.1Very low87 Ų87110.8 Ų110.847%0.46558%0.578SS.*SBendtrans71.156.9-169.1-56.1-61.1000116.9K319 D332K319-N329 PolarHBondContact NZ-O 2.88Å; N329-D332 PolarHBondContact N-OD2 2.99Å
330S45.9Very low50.9Low98 Ų98110.2 Ų110.269%0.68558%0.58SS**SBendtrans-135.5-42138.965.20000110.1D332S330-D332 VanDerWaalsContact C-N 3.33Å
331M49.3Very low53.3Low152 Ų152112.8 Ų112.875%0.74958%0.577SS**Hα-helixtrans-63.5-33.8167.3-76.6-173.4156.800112.9I334 S335M331-I334 CarbonylContact O-C 3.51Å; M331-I334 PolarHBondContact O-N 2.78Å; M331-S335 WeakPolarHBondContact O-CB 3.37Å; M331-S335 PolarHBondContact O-N 2.84Å
332D49.9Very low55.8Low52 Ų52110.2 Ų110.228%0.27856%0.561SS.*Hα-helixtrans-74.8-31.2-167.6-56.2-36.2000115.8V328 N329 S330 I334 S335 Y336V328-D332 WeakPolarHBondContact CB-OD2 3.27Å; V328-D332 WeakPolarHBondContact CG1-OD2 3.42Å; N329-D332 PolarHBondContact N-OD2 2.99Å; S330-D332 VanDerWaalsContact C-N 3.33Å; D332-I334 VanDerWaalsContact C-N 3.3Å; D332-S335 WeakPolarHBondContact CA-OG 3.3Å; D332-S335 PolarHBondContact O-N 2.78Å; D332-S335 PolarHBondContact O-OG 2.74Å; D332-Y336 WeakPolarHBondContact O-CB 3.43Å; D332-Y336 PolarHBondContact O-N 3.04Å
333F50.1Low58.3Low149 Ų149111.7 Ų111.765%0.65458%0.579SS**Hα-helixtrans-66.2-40.5173.7-166.3-100.7000110.2H337F333-H337 AromaticContact CD1-CD2 3.83Å; F333-H337 AromaticContact CE1-CD2 3.57Å; F333-H337 AromaticContact CE1-NE2 3.7Å; F333-H337 AromaticContact CE2-NE2 3.54Å; F333-H337 AromaticContact CZ-CD2 3.67Å; F333-H337 AromaticContact CZ-NE2 3.27Å; F333-H337 VanDerWaalsContact CZ-NE2 3.27Å; F333-H337 WeakPolarHBondContact CZ-NE2 3.08Å; F333-H337 WeakPolarHBondContact O-CB 3.43Å; F333-H337 PolarHBondContact O-CD2 2.97Å; F333-H337 PolarHBondContact O-N 3.47Å
334I57.8Low61Low117 Ų117109.5 Ų109.560%0.657%0.566SS**Hα-helixtrans-69.1-44175-59.2176.7000110.1M331 D332 T338M331-I334 CarbonylContact O-C 3.51Å; M331-I334 PolarHBondContact O-N 2.78Å; D332-I334 VanDerWaalsContact C-N 3.3Å; I334-T338 VanDerWaalsContact O-CB 3.23Å; I334-T338 WeakPolarHBondContact O-CB 2.99Å; I334-T338 PolarHBondContact O-N 3.02Å; I334-T338 PolarHBondContact O-OG1 2.9Å
335S60.1Low63.5Low37 Ų37107.2 Ų107.226%0.25957%0.565SS.*Hα-helixtrans-67.8-45.2-177.583.50000111.2M331 D332 H337 T338 Y339M331-S335 WeakPolarHBondContact O-CB 3.37Å; M331-S335 PolarHBondContact O-N 2.84Å; D332-S335 WeakPolarHBondContact CA-OG 3.3Å; D332-S335 PolarHBondContact O-N 2.78Å; D332-S335 PolarHBondContact O-OG 2.74Å; S335-H337 PolarHBondContact O-N 3.41Å; S335-T338 CarbonylContact O-C 3.55Å; S335-T338 PolarHBondContact O-N 3.24Å; S335-T338 VanDerWaalsContact O-N 3.09Å; S335-Y339 WeakPolarHBondContact O-CD2 3.36Å; S335-Y339 PolarHBondContact O-N 2.82Å
336Y65.3Low66.3Low159 Ų159101.6 Ų101.662%0.62455%0.552SS**Hα-helixtrans-59.4-47.6177.1-174.3-97.2000111.8D332 T338 Y339 L340D332-Y336 WeakPolarHBondContact O-CB 3.43Å; D332-Y336 PolarHBondContact O-N 3.04Å; Y336-T338 VanDerWaalsContact C-N 3.32Å; Y336-T338 PolarHBondContact O-N 3.01Å; Y336-Y339 PolarHBondContact O-N 3.5Å; Y336-L340 HydrophobicContact CE1-CD1 4.41Å; Y336-L340 WeakPolarHBondContact O-CB 3.09Å; Y336-L340 PolarHBondContact O-N 2.84Å
337H72.3Confident69.2Low91 Ų91100 Ų10042%0.42154%0.535SS..Hα-helixtrans-66.8-31.6174.5-75-55.7000112.9F333 S335 L341F333-H337 AromaticContact CD1-CD2 3.83Å; F333-H337 AromaticContact CE1-CD2 3.57Å; F333-H337 AromaticContact CE1-NE2 3.7Å; F333-H337 AromaticContact CE2-NE2 3.54Å; F333-H337 AromaticContact CZ-CD2 3.67Å; F333-H337 AromaticContact CZ-NE2 3.27Å; F333-H337 VanDerWaalsContact CZ-NE2 3.27Å; F333-H337 WeakPolarHBondContact CZ-NE2 3.08Å; F333-H337 WeakPolarHBondContact O-CB 3.43Å; F333-H337 PolarHBondContact O-CD2 2.97Å; F333-H337 PolarHBondContact O-N 3.47Å; S335-H337 PolarHBondContact O-N 3.41Å; H337-L341 VanDerWaalsContact O-CB 3.28Å; H337-L341 WeakPolarHBondContact O-CB 3.18Å; H337-L341 PolarHBondContact O-N 3.03Å
338T77.8Confident71.7Confident69 Ų6993.4 Ų93.442%0.42351%0.51SS..Hα-helixtrans-70.8-44175-58.30000111.8I334 S335 Y336 L340 L341 V342I334-T338 VanDerWaalsContact O-CB 3.23Å; I334-T338 WeakPolarHBondContact O-CB 2.99Å; I334-T338 PolarHBondContact O-N 3.02Å; I334-T338 PolarHBondContact O-OG1 2.9Å; S335-T338 CarbonylContact O-C 3.55Å; S335-T338 PolarHBondContact O-N 3.24Å; S335-T338 VanDerWaalsContact O-N 3.09Å; Y336-T338 VanDerWaalsContact C-N 3.32Å; Y336-T338 PolarHBondContact O-N 3.01Å; T338-L340 VanDerWaalsContact C-N 3.32Å; T338-L340 PolarHBondContact O-N 2.78Å; T338-L341 PolarHBondContact O-N 3.15Å; T338-V342 HydrophobicContact CG2-CG2 4.32Å; T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.27Å; T338-V342 WeakPolarHBondContact O-CG2 3.27Å; T338-V342 PolarHBondContact O-N 2.88Å
339Y80.7Confident74.3Confident176 Ų17694.9 Ų94.969%0.6951%0.514SS*.Hα-helixtrans-62.7-39.6174.8-73.2-59000111.5S335 Y336 V342 G343S335-Y339 WeakPolarHBondContact O-CD2 3.36Å; S335-Y339 PolarHBondContact O-N 2.82Å; Y336-Y339 PolarHBondContact O-N 3.5Å; Y339-V342 PolarHBondContact O-N 3.41Å; Y339-G343 PolarHBondContact O-N 3.47Å
340L80.6Confident76.5Confident85 Ų8593.7 Ų93.745%0.44552%0.516SS..Hα-helixtrans-65.8-42.3174.4-171.1150.2000111.5Y336 T338 G343 I344Y336-L340 HydrophobicContact CE1-CD1 4.41Å; Y336-L340 WeakPolarHBondContact O-CB 3.09Å; Y336-L340 PolarHBondContact O-N 2.84Å; T338-L340 VanDerWaalsContact C-N 3.32Å; T338-L340 PolarHBondContact O-N 2.78Å; L340-G343 PolarHBondContact O-N 2.8Å; L340-I344 HydrophobicContact CD2-CD1 3.62Å; L340-I344 HydrophobicContact CD2-CG1 4.44Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 2.73Å
341L85.3Confident78.7Confident119 Ų11993.9 Ų93.962%0.62351%0.509SS*.Hα-helixtrans-64.1-43.7175.4-166.880.2000112.1H337 T338 G343 I344 L345H337-L341 VanDerWaalsContact O-CB 3.28Å; H337-L341 WeakPolarHBondContact O-CB 3.18Å; H337-L341 PolarHBondContact O-N 3.03Å; T338-L341 PolarHBondContact O-N 3.15Å; L341-G343 VanDerWaalsContact C-N 3.35Å; L341-I344 PolarHBondContact O-N 3.41Å; L341-L345 WeakPolarHBondContact O-CB 3.05Å; L341-L345 PolarHBondContact O-N 2.97Å
342V91.1Very high80.8Confident88 Ų8890.3 Ų90.353%0.53350%0.496SS..Hα-helixtrans-64.9-38.8175.8168.60000110.9T338 Y339 L345 G346T338-V342 HydrophobicContact CG2-CG2 4.32Å; T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.27Å; T338-V342 WeakPolarHBondContact O-CG2 3.27Å; T338-V342 PolarHBondContact O-N 2.88Å; Y339-V342 PolarHBondContact O-N 3.41Å; V342-L345 PolarHBondContact O-N 2.93Å; V342-G346 PolarHBondContact O-N 2.79Å
343G91Very high82.9Confident50 Ų5092.2 Ų92.252%0.51551%0.505SS..Hα-helixtrans-62.3-45.2173.400000112.7Y339 L340 L341 G347Y339-G343 PolarHBondContact O-N 3.47Å; L340-G343 PolarHBondContact O-N 2.8Å; L341-G343 VanDerWaalsContact C-N 3.35Å; G343-G347 PolarHBondContact O-N 3.33Å
344I90.6Very high84.9Confident101 Ų10186.6 Ų86.652%0.51849%0.489SS..Hα-helixtrans-63-47.3173.8-69.5172.6000110.7L340 L341 G347 T348L340-I344 HydrophobicContact CD2-CD1 3.62Å; L340-I344 HydrophobicContact CD2-CG1 4.44Å; L340-I344 WeakPolarHBondContact O-CG1 3.48Å; L340-I344 PolarHBondContact O-N 2.73Å; L341-I344 PolarHBondContact O-N 3.41Å; I344-G347 PolarHBondContact O-N 3.15Å; I344-T348 HydrophobicContact CG2-CG2 4.46Å; I344-T348 WeakPolarHBondContact O-CG2 3.23Å; I344-T348 PolarHBondContact O-N 2.96Å; I344-T348 PolarHBondContact O-OG1 3.48Å
345L90.6Very high86.5Confident119 Ų11987.3 Ų87.362%0.62349%0.488SS*.Hα-helixtrans-62.5-46.4-178.9-174.563.1000111.5L341 V342 G347 T348 L349L341-L345 WeakPolarHBondContact O-CB 3.05Å; L341-L345 PolarHBondContact O-N 2.97Å; V342-L345 PolarHBondContact O-N 2.93Å; L345-G347 PolarHBondContact O-N 3.33Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 2.92Å; L345-L349 WeakPolarHBondContact O-CB 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å
346G92.4Very high87.9Confident40 Ų4089.9 Ų89.941%0.41250%0.499SS..Hα-helixtrans-61.5-41.6174.100000112.7V342 L349 A350V342-G346 PolarHBondContact O-N 2.79Å; G346-L349 PolarHBondContact O-N 3.19Å; G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3Å
347G93.3Very high88.9Confident31 Ų3185.1 Ų85.132%0.3249%0.489SS..Hα-helixtrans-60.6-48174.100000112.7G343 I344 L345 L349 A350 I351G343-G347 PolarHBondContact O-N 3.33Å; I344-G347 PolarHBondContact O-N 3.15Å; L345-G347 PolarHBondContact O-N 3.33Å; G347-L349 PolarHBondContact O-N 3.29Å; G347-A350 PolarHBondContact O-N 3Å; G347-I351 WeakPolarHBondContact O-CD1 3.28Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.37Å; G347-I351 PolarHBondContact O-N 2.96Å
348T93.7Very high89.7Confident67 Ų6785.7 Ų85.741%0.41149%0.494SS..Hα-helixtrans-64-38.4176.458.70000112.5I344 L345 I351 V352I344-T348 HydrophobicContact CG2-CG2 4.46Å; I344-T348 WeakPolarHBondContact O-CG2 3.23Å; I344-T348 PolarHBondContact O-N 2.96Å; I344-T348 PolarHBondContact O-OG1 3.48Å; L345-T348 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-OG1 2.92Å; T348-I351 PolarHBondContact O-N 3.41Å; T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.01Å
349L94.6Very high90Very high105 Ų10587.5 Ų87.555%0.5550%0.5SS..Hα-helixtrans-64.2-44.3175.4-178.261.1000111.7L345 G346 G347 I351 V352 I353L345-L349 WeakPolarHBondContact O-CB 3.35Å; L345-L349 PolarHBondContact O-N 2.93Å; G346-L349 PolarHBondContact O-N 3.19Å; G347-L349 PolarHBondContact O-N 3.29Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 3.12Å; L349-V352 PolarHBondContact O-N 3.16Å; L349-I353 HydrophobicContact CD1-CD1 4.1Å; L349-I353 HydrophobicContact CD1-CG1 4.37Å; L349-I353 HydrophobicContact CG-CD1 3.93Å; L349-I353 WeakPolarHBondContact O-CB 3.33Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 2.7Å
350A93.3Very high90Very high62 Ų6285.1 Ų85.151%0.51250%0.499SS..Hα-helixtrans-61.8-40.6175.500000112.2G346 G347 I353 G354G346-A350 WeakPolarHBondContact O-CB 3.27Å; G346-A350 PolarHBondContact O-N 3Å; G347-A350 PolarHBondContact O-N 3Å; A350-I353 PolarHBondContact O-N 2.73Å; A350-G354 PolarHBondContact O-N 3.35Å
351I92.8Very high89.9Confident102 Ų10285.2 Ų85.252%0.52351%0.506SS..Hα-helixtrans-63.3-45.2174.6-70.4164.7000111.1G347 T348 L349 G354 F355G347-I351 WeakPolarHBondContact O-CD1 3.28Å; G347-I351 VanDerWaalsContact O-CG1 3.27Å; G347-I351 WeakPolarHBondContact O-CG1 3.37Å; G347-I351 PolarHBondContact O-N 2.96Å; T348-I351 PolarHBondContact O-N 3.41Å; L349-I351 VanDerWaalsContact C-N 3.34Å; L349-I351 PolarHBondContact O-N 3.12Å; I351-G354 PolarHBondContact O-N 2.85Å; I351-F355 HydrophobicContact CG2-CD2 3.7Å; I351-F355 HydrophobicContact CG2-CE2 3.57Å; I351-F355 VanDerWaalsContact O-CD2 3.29Å; I351-F355 WeakPolarHBondContact O-CD2 3.43Å; I351-F355 PolarHBondContact O-N 2.74Å
352V94.1Very high89.3Confident78 Ų7886.4 Ų86.447%0.47351%0.508SS..Hα-helixtrans-63.1-42.8176.91680000111.5T348 L349 G354 F355 L356T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.01Å; L349-V352 PolarHBondContact O-N 3.16Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 3.42Å; V352-F355 PolarHBondContact O-N 3.29Å; V352-L356 HydrophobicContact CG1-CD1 3.93Å; V352-L356 WeakPolarHBondContact O-CB 3.42Å; V352-L356 WeakPolarHBondContact O-CG 3.33Å; V352-L356 PolarHBondContact O-N 3.26Å
353I93.3Very high88.2Confident91 Ų9185.5 Ų85.547%0.46751%0.505SS..Hα-helixtrans-64-38.9174.9-68.9167.7000111.2L349 A350 L356 S357L349-I353 HydrophobicContact CD1-CD1 4.1Å; L349-I353 HydrophobicContact CD1-CG1 4.37Å; L349-I353 HydrophobicContact CG-CD1 3.93Å; L349-I353 WeakPolarHBondContact O-CB 3.33Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.42Å; L349-I353 PolarHBondContact O-N 2.7Å; A350-I353 PolarHBondContact O-N 2.73Å; I353-L356 PolarHBondContact O-N 3.15Å; I353-S357 VanDerWaalsContact O-CB 3.32Å; I353-S357 WeakPolarHBondContact O-CB 3.49Å; I353-S357 PolarHBondContact O-N 2.83Å; I353-S357 PolarHBondContact O-OG 2.99Å
354G92.6Very high86.9Confident32 Ų3284.3 Ų84.333%0.3349%0.492SS..Hα-helixtrans-61-49173.700000112.4A350 I351 V352 S357 L358A350-G354 PolarHBondContact O-N 3.35Å; I351-G354 PolarHBondContact O-N 2.85Å; V352-G354 VanDerWaalsContact C-N 3.33Å; V352-G354 PolarHBondContact O-N 3.42Å; G354-S357 PolarHBondContact O-N 3.34Å; G354-L358 WeakPolarHBondContact O-CG 3.29Å; G354-L358 PolarHBondContact O-N 2.65Å
355F91.3Very high85.3Confident131 Ų13182.9 Ų82.958%0.57549%0.491SS*.Hα-helixtrans-63.7-39.6174.7-80.1-62.6000112.8I351 V352 S357 L358 L359I351-F355 HydrophobicContact CG2-CD2 3.7Å; I351-F355 HydrophobicContact CG2-CE2 3.57Å; I351-F355 VanDerWaalsContact O-CD2 3.29Å; I351-F355 WeakPolarHBondContact O-CD2 3.43Å; I351-F355 PolarHBondContact O-N 2.74Å; V352-F355 PolarHBondContact O-N 3.29Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 2.82Å; F355-L358 PolarHBondContact O-N 3.46Å; F355-L359 WeakPolarHBondContact O-CB 3.49Å; F355-L359 WeakPolarHBondContact O-CG 3.27Å; F355-L359 PolarHBondContact O-N 3.45Å
356L88.9Confident83.7Confident92 Ų9280.9 Ų80.948%0.48249%0.487SS..Hα-helixtrans-62.1-40.6173.7-77.5167.2000111.6V352 I353 L359 L360V352-L356 HydrophobicContact CG1-CD1 3.93Å; V352-L356 WeakPolarHBondContact O-CB 3.42Å; V352-L356 WeakPolarHBondContact O-CG 3.33Å; V352-L356 PolarHBondContact O-N 3.26Å; I353-L356 PolarHBondContact O-N 3.15Å; L356-L359 PolarHBondContact O-N 3.09Å; L356-L360 WeakPolarHBondContact O-CB 3.32Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.26Å
357S87.3Confident81.9Confident59 Ų5988.1 Ų88.141%0.41350%0.502SS..Hα-helixtrans-67.3-41.1176.2-66.20000111.9I353 G354 F355 L360 C361I353-S357 VanDerWaalsContact O-CB 3.32Å; I353-S357 WeakPolarHBondContact O-CB 3.49Å; I353-S357 PolarHBondContact O-N 2.83Å; I353-S357 PolarHBondContact O-OG 2.99Å; G354-S357 PolarHBondContact O-N 3.34Å; F355-S357 VanDerWaalsContact C-N 3.32Å; F355-S357 PolarHBondContact O-N 2.82Å; S357-L360 PolarHBondContact O-N 2.91Å; S357-C361 VanDerWaalsContact O-CB 3.3Å; S357-C361 WeakPolarHBondContact O-CB 3.29Å; S357-C361 PolarHBondContact O-N 3.37Å; S357-C361 PolarHBondContact O-SG 2.86Å
358L87.5Confident80Confident103 Ų10392.9 Ų92.954%0.53952%0.516SS..Hα-helixtrans-64.7-40.4173.5-70.7172000112.3G354 F355 C361 H362G354-L358 WeakPolarHBondContact O-CG 3.29Å; G354-L358 PolarHBondContact O-N 2.65Å; F355-L358 PolarHBondContact O-N 3.46Å; L358-C361 PolarHBondContact O-N 2.84Å; L358-H362 PolarHBondContact O-CD2 2.76Å; L358-H362 PolarHBondContact O-N 3.46Å
359L84.2Confident78.2Confident106 Ų10693.5 Ų93.556%0.55551%0.514SS*.Hα-helixtrans-62.5-46.6172.5-81.9161.5000111.6F355 L356 C361 H362 C363F355-L359 WeakPolarHBondContact O-CB 3.49Å; F355-L359 WeakPolarHBondContact O-CG 3.27Å; F355-L359 PolarHBondContact O-N 3.45Å; L356-L359 PolarHBondContact O-N 3.09Å; L359-C361 VanDerWaalsContact C-N 3.3Å; L359-C361 PolarHBondContact O-N 3.45Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-C363 WeakPolarHBondContact O-CB 3.4Å; L359-C363 PolarHBondContact O-N 3.5Å; L359-C363 PolarHBondContact O-SG 2.93Å; L359-C363 VanDerWaalsContact O-SG 3.4Å
360L82.6Confident76.2Confident126 Ų12691.4 Ų91.466%0.6651%0.512SS*.Hα-helixtrans-64.6-32.5175.9-72.5169.5000112.2L356 S357 G364L356-L360 WeakPolarHBondContact O-CB 3.32Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.26Å; S357-L360 PolarHBondContact O-N 2.91Å; L360-G364 WeakPolarHBondContact O-CA 3.21Å; L360-G364 PolarHBondContact O-N 2.95Å
361C76.6Confident74.3Confident87 Ų8792.4 Ų92.459%0.58851%0.512SS*.Hα-helixtrans-72.5-38.6172.8-76.30000112.6S357 L358 L359 G364 S365S357-C361 VanDerWaalsContact O-CB 3.3Å; S357-C361 WeakPolarHBondContact O-CB 3.29Å; S357-C361 PolarHBondContact O-N 3.37Å; S357-C361 PolarHBondContact O-SG 2.86Å; L358-C361 PolarHBondContact O-N 2.84Å; L359-C361 VanDerWaalsContact C-N 3.3Å; L359-C361 PolarHBondContact O-N 3.45Å; C361-G364 PolarHBondContact O-N 2.87Å; C361-S365 VanDerWaalsContact O-CB 3.22Å; C361-S365 WeakPolarHBondContact O-CB 3.32Å; C361-S365 PolarHBondContact O-N 2.83Å
362H73.6Confident72.5Confident144 Ų14496.5 Ų96.567%0.66752%0.521SS*.Hα-helixtrans-70.1-45.2174.3-89.6-73.3000112.5L358 L359 G364 S365 S366L358-H362 PolarHBondContact O-CD2 2.76Å; L358-H362 PolarHBondContact O-N 3.46Å; L359-H362 PolarHBondContact O-N 2.82Å; H362-G364 VanDerWaalsContact C-N 3.3Å; H362-S365 PolarHBondContact O-N 3.36Å; H362-S366 PolarHBondContact O-N 2.83Å
363C68.8Low70.5Confident70 Ų70100.9 Ų100.947%0.47353%0.529SS..Hα-helixtrans-67.9-30.8172.8-66.50000112.3L359 S366 R367L359-C363 WeakPolarHBondContact O-CB 3.4Å; L359-C363 PolarHBondContact O-N 3.5Å; L359-C363 PolarHBondContact O-SG 2.93Å; L359-C363 VanDerWaalsContact O-SG 3.4Å; C363-S366 PolarHBondContact O-OG 3.49Å; C363-S366 VanDerWaalsContact O-OG 3.14Å; C363-R367 WeakPolarHBondContact O-CB 3.42Å; C363-R367 WeakPolarHBondContact O-CG 3.35Å; C363-R367 PolarHBondContact O-N 3.4Å; C363-R367 VanDerWaalsContact O-N 3.11Å
364G62.7Low68.6Low24 Ų24106 Ų10625%0.24754%0.542CS..Hα-helixtrans-67.1-45.4172.200000111.5L360 C361 H362 R367 Q368L360-G364 WeakPolarHBondContact O-CA 3.21Å; L360-G364 PolarHBondContact O-N 2.95Å; C361-G364 PolarHBondContact O-N 2.87Å; H362-G364 VanDerWaalsContact C-N 3.3Å; G364-R367 CarbonylContact O-C 3.57Å; G364-R367 PolarHBondContact O-N 3.3Å; G364-Q368 VanDerWaalsContact O-CB 3.31Å; G364-Q368 WeakPolarHBondContact O-CB 3.22Å; G364-Q368 VanDerWaalsContact O-CG 3.32Å; G364-Q368 WeakPolarHBondContact O-CG 3.22Å; G364-Q368 PolarHBondContact O-N 2.91Å
365S57.7Low66.8Low71 Ų71114.5 Ų114.550%0.49756%0.564SS.*Hα-helixtrans-60.6-45.4175.8-178.20000111.8C361 H362 R367 Q368 E369C361-S365 VanDerWaalsContact O-CB 3.22Å; C361-S365 WeakPolarHBondContact O-CB 3.32Å; C361-S365 PolarHBondContact O-N 2.83Å; H362-S365 PolarHBondContact O-N 3.36Å; S365-R367 PolarHBondContact O-N 2.85Å; S365-Q368 PolarHBondContact O-N 2.91Å; S365-E369 WeakPolarHBondContact O-CB 3.32Å; S365-E369 PolarHBondContact O-N 3.37Å
366S56.8Low64.9Low77 Ų77112 Ų11254%0.53857%0.568SS.*Hα-helixtrans-66.4-36176.3700000113H362 C363 A370H362-S366 PolarHBondContact O-N 2.83Å; C363-S366 PolarHBondContact O-OG 3.49Å; C363-S366 VanDerWaalsContact O-OG 3.14Å; S366-A370 WeakPolarHBondContact O-CB 3.32Å; S366-A370 PolarHBondContact O-N 3.36Å; S366-A370 VanDerWaalsContact O-N 3.13Å
367R54.1Low63.1Low193 Ų193117.9 Ų117.973%0.72858%0.584SS**Hα-helixtrans-68.5-37171-76.4-178.5173.1-144.20.1113C363 G364 S365 T371C363-R367 WeakPolarHBondContact O-CB 3.42Å; C363-R367 WeakPolarHBondContact O-CG 3.35Å; C363-R367 PolarHBondContact O-N 3.4Å; C363-R367 VanDerWaalsContact O-N 3.11Å; G364-R367 CarbonylContact O-C 3.57Å; G364-R367 PolarHBondContact O-N 3.3Å; S365-R367 PolarHBondContact O-N 2.85Å; R367-T371 WeakPolarHBondContact O-CB 3.38Å; R367-T371 WeakPolarHBondContact O-CG2 3.3Å; R367-T371 PolarHBondContact O-N 3.26Å; R367-T371 PolarHBondContact O-OG1 3.44Å
368Q54.3Low61.5Low130 Ų130123 Ų12361%0.60760%0.599SS**Hα-helixtrans-71.4-37.2177.7-79.5-174.8-2.400111.8G364 S365 T371 R372G364-Q368 VanDerWaalsContact O-CB 3.31Å; G364-Q368 WeakPolarHBondContact O-CB 3.22Å; G364-Q368 VanDerWaalsContact O-CG 3.32Å; G364-Q368 WeakPolarHBondContact O-CG 3.22Å; G364-Q368 PolarHBondContact O-N 2.91Å; S365-Q368 PolarHBondContact O-N 2.91Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.34Å; Q368-T371 PolarHBondContact O-N 3.46Å; Q368-T371 PolarHBondContact O-OG1 2.87Å; Q368-R372 VanDerWaalsContact O-CB 3.31Å; Q368-R372 WeakPolarHBondContact O-CB 3.43Å; Q368-R372 WeakPolarHBondContact O-CG 3.31Å; Q368-R372 PolarHBondContact O-N 3.47Å
369E54.8Low59.5Low80 Ų80123 Ų12337%0.37461%0.608SS.*Hα-helixtrans-66.4-44.3174-178.256.4-163.100111.1S365 T371 R372 R373S365-E369 WeakPolarHBondContact O-CB 3.32Å; S365-E369 PolarHBondContact O-N 3.37Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 2.97Å; E369-R372 PolarHBondContact O-N 3.34Å; E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 3.28Å; E369-R373 VanDerWaalsContact O-N 3.11Å; E369-R373 IonicContact OE1-CZ 3.13Å; E369-R373 IonicContact OE1-NE 3.62Å; E369-R373 PolarHBondContact OE1-NE 2.87Å; E369-R373 IonicContact OE1-NH2 2.7Å; E369-R373 PolarHBondContact OE1-NH2 2.91Å
370A52.9Low57.7Low61 Ų61127.5 Ų127.550%0.50462%0.623SS.*Hα-helixtrans-61.4-38.6173.600000113S366 R374S366-A370 WeakPolarHBondContact O-CB 3.32Å; S366-A370 PolarHBondContact O-N 3.36Å; S366-A370 VanDerWaalsContact O-N 3.13Å; A370-R374 PolarHBondContact O-N 3.36Å
371T54.1Low56.2Low84 Ų84128.5 Ų128.552%0.51563%0.628SS.*Hα-helixtrans-81.2-31.9178.947.70000113.7R367 Q368 E369 R374 R375R367-T371 WeakPolarHBondContact O-CB 3.38Å; R367-T371 WeakPolarHBondContact O-CG2 3.3Å; R367-T371 PolarHBondContact O-N 3.26Å; R367-T371 PolarHBondContact O-OG1 3.44Å; Q368-T371 WeakPolarHBondContact CA-OG1 3.34Å; Q368-T371 PolarHBondContact O-N 3.46Å; Q368-T371 PolarHBondContact O-OG1 2.87Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 2.97Å; T371-R374 PolarHBondContact O-N 3.37Å; T371-R375 PolarHBondContact O-N 2.93Å
372R54Low54.5Low187 Ų187130.7 Ų130.771%0.70664%0.639SS**Hα-helixtrans-59.7-46169.4-87-173.7166.6-165.3-3.1110.9Q368 E369 R374 R375 A376Q368-R372 VanDerWaalsContact O-CB 3.31Å; Q368-R372 WeakPolarHBondContact O-CB 3.43Å; Q368-R372 WeakPolarHBondContact O-CG 3.31Å; Q368-R372 PolarHBondContact O-N 3.47Å; E369-R372 PolarHBondContact O-N 3.34Å; R372-R374 PolarHBondContact O-N 3.49Å; R372-R375 PolarHBondContact O-N 2.89Å; R372-A376 WeakPolarHBondContact O-CB 3.36Å; R372-A376 PolarHBondContact O-N 2.88Å
373R53.4Low53Low170 Ų170130.3 Ų130.364%0.64265%0.646SS**Hα-helixtrans-61.9-27175.7-69.2-179.1-168.4-158.44.1113.8E369E369-R373 WeakPolarHBondContact O-CG 3.47Å; E369-R373 PolarHBondContact O-N 3.28Å; E369-R373 VanDerWaalsContact O-N 3.11Å; E369-R373 IonicContact OE1-CZ 3.13Å; E369-R373 IonicContact OE1-NE 3.62Å; E369-R373 PolarHBondContact OE1-NE 2.87Å; E369-R373 IonicContact OE1-NH2 2.7Å; E369-R373 PolarHBondContact OE1-NH2 2.91Å
374R53.3Low51.5Low199 Ų199132.8 Ų132.875%0.75166%0.659SS**Hα-helixtrans-77.7-50.2167.7-83.1-170.6172.1-168.1-1.6112.4A370 T371 R372 A376 R377A370-R374 PolarHBondContact O-N 3.36Å; T371-R374 PolarHBondContact O-N 3.37Å; R372-R374 PolarHBondContact O-N 3.49Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 PolarHBondContact O-N 2.91Å; R374-R377 PolarHBondContact O-N 3.25Å
375R53.2Low50.2Low210 Ų210140.6 Ų140.679%0.79269%0.686SS**Hα-helixtrans-62.4-37.8-174.6-121.3175.8-163.4172.45.8112.9T371 R372 R377 F378 S379T371-R375 PolarHBondContact O-N 2.93Å; R372-R375 PolarHBondContact O-N 2.89Å; R375-R377 PolarHBondContact O-N 3.24Å; R375-R377 VanDerWaalsContact O-N 3.09Å; R375-F378 PolarHBondContact O-N 2.86Å; R375-S379 PolarHBondContact O-N 3.41Å
376A52.5Low49.1Very low78 Ų78144.4 Ų144.465%0.64569%0.694SS**THydrogen-bonded Turntrans-63.8-9.6174.700000114.6R372 R374R372-A376 WeakPolarHBondContact O-CB 3.36Å; R372-A376 PolarHBondContact O-N 2.88Å; R374-A376 VanDerWaalsContact C-N 3.33Å; R374-A376 PolarHBondContact O-N 2.91Å
377R51.7Low48.6Very low216 Ų216147 Ų14782%0.81570%0.702SS**THydrogen-bonded Turntrans-98.9-8.7173.1-66.5-175175.4-165.3-2.6114.1R374 R375R374-R377 PolarHBondContact O-N 3.25Å; R375-R377 PolarHBondContact O-N 3.24Å; R375-R377 VanDerWaalsContact O-N 3.09Å
378F53.6Low48Very low167 Ų167145 Ų14573%0.73270%0.701SS**THydrogen-bonded Turntrans-114.7-14.5-177.5-78.4-79.8000114.3R375 K380R375-F378 PolarHBondContact O-N 2.86Å; F378-K380 PolarHBondContact O-N 2.83Å
379S44.9Very low47.5Very low104 Ų104144.3 Ų144.373%0.72771%0.705SS**THydrogen-bonded Turntrans-75.136.9177.7630000114.5R375R375-S379 PolarHBondContact O-N 3.41Å
380K46.4Very low46.9Very low199 Ų199146.7 Ų146.787%0.86573%0.726SS**THydrogen-bonded Turntrans-128.913.2177.6-150.3-178.7179.3-179.80113.4F378F378-K380 PolarHBondContact O-N 2.83Å
381L50.2Low46.5Very low147 Ų147148.1 Ų148.177%0.7773%0.732SS**SBendtrans-136.2151.1177.1-84.8170.8000112.4
382T40.7Very low46.1Very low133 Ų133149.8 Ų149.882%0.81674%0.742SS**  trans54.990.116554.20000117.9
383V42.8Very low44.9Very low136 Ų136148.6 Ų148.682%0.82474%0.744SS**  trans-62.9161.7139.9178.90000109.3
384V37.4Very low44Very low123 Ų123145 Ų14575%0.74574%0.742SS**  trans135.396.1149.5173.70000114.4
385K34.4Very low43.3Very low188 Ų188143.9 Ų143.982%0.81775%0.745SS**  68.7135.5119.5-151-172.1-175.2175.30122.3
386K35.1Very low42.3Very low150 Ų150142.8 Ų142.865%0.65275%0.749SS**  trans106.294.9138.1-135.6-172.8177.6-166.50122.1
387D47.2Very low41.3Very low133 Ų133142.9 Ų142.971%0.71176%0.757SS**  34.4149.7120.6-26-40.4000125.5
388Q42Very low40.3Very low150 Ų150140.9 Ų140.970%0.70176%0.762SS**  trans103.3117140.6-78.3-167.3-84.500124.3
389T43.3Very low39.1Very low115 Ų115140.9 Ų140.971%0.70677%0.768SS**  trans65.7158.2134.958.20000122.3
390T42.3Very low38.5Very low131 Ų131143.5 Ų143.580%0.80477%0.774SS**  cis-175.7163-22.4-81.90000110.4
391S43.3Very low37.6Very low90 Ų90144.9 Ų144.963%0.62977%0.773SS**  trans96.5117.6150.9158.90000124.4
392T46.4Very low36.4Very low120 Ų120143 Ų14374%0.73677%0.772SS**  trans57.4172.5134.376.30000121.7
393H28.3Very low35.8Very low162 Ų162140 Ų14075%0.7577%0.767SS**  cis-142.1-133.16.6-143.3-69000114.9
394T35.3Very low35.1Very low95 Ų95140.4 Ų140.458%0.58377%0.765SS**  trans-137.1148.6-159.152.20000116.9
395E37.4Very low34.7Very low174 Ų174141.5 Ų141.581%0.81377%0.767SS**  trans49.1159.5134.6-60.7167.8-138.400121.4
396E33.8Very low34.3Very low188 Ų188137.3 Ų137.388%0.87976%0.761SS**  cis-139.1179.810.3-63.4177.4168.400111.7
397G30.4Very low34.1Very low80 Ų80138.1 Ų138.183%0.82577%0.772SS**  trans141.5136.8153.200000118.6
398L30.5Very low33.2Very low174 Ų174135.9 Ų135.991%0.91177%0.772SS**  trans-116.2141.9-177.8-79.2166.4000113.9
399L29.1Very low32.5Very low166 Ų166133.9 Ų133.987%0.86978%0.775SS**  trans-176168.1130.7-101.8173.5000112.7
400L31.2Very low31.7Very low160 Ų160134 Ų13484%0.83878%0.778SS**  trans-76.3149.1-168.2-67.580.2000115.1
401R27.6Very low31Very low227 Ų227132.4 Ų132.486%0.85777%0.773SS**  170.1140.8105.4176.9168.9174.4175.5-3.7114.7
402S27Very low30.3Very low108 Ų108134 Ų13476%0.75578%0.778SS**  trans37.6129.5157.3-57.60000121.6
403G27.3Very low29.3Very low69 Ų69135.6 Ų135.671%0.71178%0.777SS**  trans153.6105.714900000116.2
404D27.1Very low29.2Very low146 Ų146134.3 Ų134.378%0.78179%0.785SS**  trans40.7139.6141-58.71.2000123.9
405N28.9Very low28.8Very low145 Ų145136.1 Ų136.178%0.77579%0.787SS**  trans82.7134.7144.6-64.6-34.2000122.5
406S27.6Very low28.6Very low100 Ų100132.9 Ų132.970%0.69978%0.781SS**  trans69.1112.3138.6-66.20000122.3
407L30.7Very low28.2Very low168 Ų168128 Ų12888%0.8877%0.767SS**  56.4145.2122.5-62.9172.6000121.9
408A26.8Very low28.2Very low86 Ų86128.9 Ų128.971%0.71176%0.761SS**  trans75.983.4156.400000119.2
409S28.1Very low28.4Very low108 Ų108127.1 Ų127.176%0.75576%0.758SS**  28112.5121.4610000120.5
410C26.1Very low28.9Very low116 Ų116124.7 Ų124.778%0.78475%0.752SS**  -166.3133.1123.4-93.70000106.3
411S28Very low28.8Very low98 Ų98128.7 Ų128.769%0.68576%0.756SS**  70.9154.151.293.80000113.3
412V29.8Very low29Very low124 Ų124127 Ų12775%0.75276%0.758SS**  trans79.2129.7-177.1-176.60000113.1
413Q25Very low29Very low153 Ų153131.6 Ų131.672%0.71576%0.764SS**  cis-152.4155.1-1.4-139.7162.2-11.500113.2
414C25Very low29.2Very low135 Ų135132.3 Ų132.391%0.91276%0.763SS**  -151.9124.2127.1-130.30000109.3
415E27.5Very low29.2Very low134 Ų134132.8 Ų132.863%0.62677%0.766SS**  trans-83.5168.8171.4-110.3-105.3119.500109.2S417E415-S417 PolarHBondContact OE1-N 3.37Å
416P33.8Very low29.2Very low105 Ų105135.8 Ų135.868%0.68277%0.768SS**  cis-143.3155.230.840.2-19.7000121.4
417S25.7Very low29.4Very low85 Ų85138.4 Ų138.459%0.59477%0.774SS**  trans87.4148.5137.477.20000122.9E415E415-S417 PolarHBondContact OE1-N 3.37Å
418S29.5Very low29.4Very low100 Ų100138.8 Ų138.870%0.69978%0.775SS**  trans89.352.6153.5720000122.6
419T34Very low29.5Very low137 Ų137144.6 Ų144.684%0.8478%0.78SS**  57.1-171.1126.865.40000118.6
420P39.9Very low29.6Very low115 Ų115145 Ų14575%0.74778%0.778SS**  -126.5156.9-93.538.9-22.6000116
421R29.4Very low29.8Very low243 Ų243148.1 Ų148.192%0.91778%0.781SS**  trans-142.2117.5163.9-75.4-171.5173.6178.8-1.2112.7
422H31Very low29.9Very low192 Ų192150.3 Ų150.389%0.88979%0.785SS**  trans-170.3101.6143.5-110.4-68.6000112.8
423K28.3Very low30.6Very low204 Ų204150.2 Ų150.289%0.88779%0.787SS**  trans-177124.6148.3-102.4168.2-178.5-178.60105.7
424A31.3Very low30.6Very low85 Ų85146 Ų14670%0.70278%0.784SS**  cis82.6131.23600000114.1
425N25.8Very low30.8Very low156 Ų156144.6 Ų144.683%0.83478%0.776SS**  trans68.7135-174.1-83.56.3000118.6
426Y30.2Very low31Very low207 Ų207145.8 Ų145.881%0.81279%0.785SS**  trans-112.6154.1173.9-30.1-86.3000108.4
427N32Very low30.8Very low155 Ų155146.3 Ų146.383%0.82979%0.787SS**  trans149.5118.3140.4-79.4-5.1000110.3
428I29.6Very low30.9Very low176 Ų176146.3 Ų146.390%0.90379%0.792SS**  trans-152.3152.3145.6-103.3151000107.6
429Y29Very low31.2Very low209 Ų209146 Ų14682%0.8280%0.796SS**  trans-69.5154.1-164.8-94.7-135.5000116.4
430V30.1Very low31.3Very low116 Ų116145.1 Ų145.170%0.70379%0.792SS**  trans69.9141.2139.7168.30000115.9
431E30Very low31.8Very low181 Ų181144.4 Ų144.485%0.84679%0.788SS**  cis-137.5167.928.4-156.1147.5-132.200115
432D31.2Very low31.6Very low145 Ų145142.6 Ų142.678%0.77578%0.782SS**  trans-79.5-172.9169.4-133.68.3000109.8
433P44Very low31.7Very low122 Ų122139.9 Ų139.979%0.79277%0.774SS**  cis-128.3162.81.641.3-25.6000116.1
434G25.9Very low31.8Very low63 Ų63136.3 Ų136.365%0.64977%0.765SS**  trans-176.669.1175.200000118.3
435S29.2Very low31.8Very low106 Ų106138.9 Ų138.974%0.74177%0.765SS**  trans49.8101.4158.858.40000120.3
436L31.9Very low32Very low159 Ų159137.1 Ų137.183%0.83276%0.761SS**  73.2102123.8-63.2166.5000121.4
437T28.1Very low32Very low117 Ų117132.4 Ų132.472%0.71876%0.757SS**  75.378.3116.9-44.10000119.6
438A27.6Very low31.9Very low85 Ų85131.6 Ų131.670%0.70275%0.753SS**  43.8118.6106.400000120.4
439A36.5Very low31.9Very low94 Ų94131.9 Ų131.978%0.77774%0.743SS**  -72.4151.6121.500000107.9
440P36.6Very low32Very low117 Ų117129.2 Ų129.276%0.7674%0.74SS**  -143.6-1327432.6-6.4000113.4
441P50Low31.9Very low100 Ų100133.8 Ų133.865%0.64975%0.75SS**  -134.4-151-104.145.1-26.1000114.1
442Y26.1Very low31.8Very low206 Ų206128.5 Ų128.581%0.80874%0.744SS**  trans93.1127.4162.1-85.7-64.5000120.5
443D32.5Very low31.7Very low134 Ų134128.4 Ų128.472%0.71775%0.749SS**  trans-57.8147.1144.8-55.2-84.2000110.9
444N30.1Very low31.4Very low129 Ų129131.4 Ų131.469%0.6975%0.752SS**  171.2148.5109.4-97.1-71000115.5
445I31.7Very low31.8Very low140 Ų140134 Ų13472%0.71876%0.758SS**  trans70.2117.1142.2-67.4165.4000120.1
446T29.7Very low32.2Very low119 Ų119134.7 Ų134.773%0.7376%0.76SS**  trans9.3136.4152.262.20000120
447S30.5Very low32.5Very low107 Ų107132.6 Ų132.675%0.74876%0.756SS**  -174.9152.783.4-70.60000115.4
448D29.2Very low32.6Very low138 Ų138136.4 Ų136.474%0.73877%0.765SS**  trans48.5145.5142.6-154.223.8000123.7
449R29.7Very low32.8Very low183 Ų183143 Ų14369%0.69177%0.773SS**  trans76.1104.6144.7-132.7151.9176.6157.1-2124.2
450M31.8Very low32.7Very low152 Ų152146.1 Ų146.175%0.74978%0.776SS**  73.9131.2129.5-74.9177.5179.600123
451K28.3Very low32.5Very low212 Ų212146 Ų14692%0.92277%0.769SS**  trans72.2102.1139.8-152.1177.4-169.9-176.40117.3
452G28.1Very low32.1Very low70 Ų70147.2 Ų147.272%0.72277%0.769SS**  trans-92.2-167.7178.100000115.3
453T27.5Very low32.8Very low143 Ų143143.8 Ų143.888%0.87776%0.761SS**  trans-166.8150.3166.1-740000108.9
454Q37.8Very low33.2Very low185 Ų185142.2 Ų142.286%0.86475%0.752SS**  trans-85153.1175.4-76.7-176.2-31.100113.1
455P35.1Very low34.2Very low119 Ų119140.1 Ų140.177%0.77374%0.744SS**  trans-117167.5143.5-2.624.4000113.7
456P37.2Very low34.9Very low119 Ų119136.4 Ų136.477%0.77373%0.734SS**  trans-100.1174-1664.917.9000115.1
457P38.6Very low35.4Very low115 Ų115138.8 Ų138.875%0.74773%0.73SS**  trans-89.2158.4-176.336.2-36000114.6
458H30.5Very low36.2Very low197 Ų197139.6 Ų139.691%0.91273%0.725SS**  trans-133.8156.7163.7-89.4-76.2000111.9
459Y31.1Very low37Very low223 Ų223136.5 Ų136.588%0.87571%0.713SS**  trans-105.5146.8-167.2-161.7-92.9000110.4
460I34.3Very low37.6Very low161 Ų161134.6 Ų134.683%0.82671%0.712SS**  trans-128.3146179.4-66-177.1000110.5
461N32.3Very low37.8Very low115 Ų115135 Ų13562%0.61571%0.709SS**  trans-80.2163.4-169-170.825.8000113.8E463N461-E463 PolarHBondContact ND2-OE2 3.41Å
462N42.9Very low38.5Very low124 Ų124127.6 Ų127.666%0.66369%0.688SS**SBendtrans-104.34.5-157.2-154.220.9000115.7
463E41.1Very low39.1Very low135 Ų135131.1 Ų131.163%0.63169%0.686SS**Hα-helixtrans-86.7-24.2-169-71.2166.210600114.3N461N461-E463 PolarHBondContact ND2-OE2 3.41Å
464D39.8Very low39.5Very low101 Ų101132 Ų13254%0.5468%0.68SS.*Hα-helixtrans-76.4-23.1176.3-75.3-44.7000113.3R467 I468D464-R467 IonicContact OD1-CZ 3.14Å; D464-R467 IonicContact OD1-NE 2.67Å; D464-R467 IonicContact OD1-NH2 3.55Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.27Å
465V51.3Low39.4Very low85 Ų85129.2 Ų129.252%0.51567%0.671SS.*Hα-helixtrans-66.5-42.8175.7-177.30000110.7R467 I468 C469V465-R467 PolarHBondContact O-N 3.35Å; V465-I468 PolarHBondContact O-N 3.34Å; V465-I468 VanDerWaalsContact O-N 3.15Å; V465-C469 PolarHBondContact O-N 2.81Å
466A45.6Very low39.5Very low62 Ų62134 Ų13451%0.51267%0.673SS.*Hα-helixtrans-59.2-45-179.400000112.4I468 C469 E470A466-I468 PolarHBondContact O-N 2.87Å; A466-C469 PolarHBondContact O-N 2.87Å; A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.16Å
467R40.1Very low39.4Very low168 Ų168132.7 Ų132.763%0.63467%0.673SS**Hα-helixtrans-67.8-19.5179.4-64.3-167.1-69.3-174.4-2.8113.8D464 V465 K471D464-R467 IonicContact OD1-CZ 3.14Å; D464-R467 IonicContact OD1-NE 2.67Å; D464-R467 IonicContact OD1-NH2 3.55Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; V465-R467 PolarHBondContact O-N 3.35Å; R467-K471 WeakPolarHBondContact O-CB 3.31Å
468I49Very low39.3Very low125 Ų125133.6 Ų133.664%0.64167%0.671SS**Hα-helixtrans-82.5-39174.5-65.4172.6000110.6D464 V465 A466 A472D464-I468 WeakPolarHBondContact O-CG1 3.4Å; D464-I468 PolarHBondContact O-N 3.27Å; V465-I468 PolarHBondContact O-N 3.34Å; V465-I468 VanDerWaalsContact O-N 3.15Å; A466-I468 PolarHBondContact O-N 2.87Å; I468-A472 WeakPolarHBondContact O-CB 3.48Å; I468-A472 PolarHBondContact O-N 3.27Å; I468-A472 VanDerWaalsContact O-N 3.11Å
469C45.8Very low39.4Very low72 Ų72132 Ų13249%0.48667%0.666SS.*Hα-helixtrans-62.4-51.8175.2-71.80000112.4V465 A466 K471 A472 E473V465-C469 PolarHBondContact O-N 2.81Å; A466-C469 PolarHBondContact O-N 2.87Å; C469-K471 VanDerWaalsContact C-N 3.25Å; C469-K471 PolarHBondContact O-N 2.84Å; C469-A472 WeakPolarHBondContact O-CA 3.43Å; C469-A472 WeakPolarHBondContact O-CB 3.47Å; C469-A472 PolarHBondContact O-N 3.42Å; C469-E473 PolarHBondContact O-N 2.73Å
470E41.4Very low39.7Very low144 Ų144129.8 Ų129.867%0.67367%0.67SS**Hα-helixtrans-56.8-39.9-179.7-172.5176.7-144.300111.9A466 A472 E473 Q474A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.16Å; E470-A472 VanDerWaalsContact C-N 3.33Å; E470-A472 PolarHBondContact O-N 3.4Å; E470-E473 PolarHBondContact O-N 3.49Å; E470-Q474 PolarHBondContact O-N 2.79Å
471K36.1Very low39.5Very low159 Ų159127.9 Ų127.969%0.69167%0.671SS**Hα-helixtrans-75.3-17.8177.3-163.7167.6-176.3174.90114.2R467 C469 N475R467-K471 WeakPolarHBondContact O-CB 3.31Å; C469-K471 VanDerWaalsContact C-N 3.25Å; C469-K471 PolarHBondContact O-N 2.84Å; K471-N475 PolarHBondContact O-ND2 3.11Å; K471-N475 VanDerWaalsContact O-ND2 3.09Å
472A42.2Very low39.5Very low58 Ų58129.1 Ų129.148%0.47968%0.677SS.*Hα-helixtrans-83.1-34.9172.900000112I468 C469 E470I468-A472 WeakPolarHBondContact O-CB 3.48Å; I468-A472 PolarHBondContact O-N 3.27Å; I468-A472 VanDerWaalsContact O-N 3.11Å; C469-A472 WeakPolarHBondContact O-CA 3.43Å; C469-A472 WeakPolarHBondContact O-CB 3.47Å; C469-A472 PolarHBondContact O-N 3.42Å; E470-A472 VanDerWaalsContact C-N 3.33Å; E470-A472 PolarHBondContact O-N 3.4Å
473E40.7Very low38.8Very low143 Ų143129.4 Ų129.467%0.66868%0.679SS**Hα-helixtrans-72.1-40.3-179.9-67.5-173.815500112.3C469 E470 N475 R476C469-E473 PolarHBondContact O-N 2.73Å; E470-E473 PolarHBondContact O-N 3.49Å; E473-N475 PolarHBondContact O-N 3.07Å; E473-R476 WeakPolarHBondContact O-CB 3.37Å; E473-R476 PolarHBondContact O-N 3.38Å
474Q36.5Very low38.2Very low162 Ų162133.2 Ų133.276%0.75769%0.694SS**THydrogen-bonded Turntrans-60-28.7176.7-162.867.413.700113.3E470 R476E470-Q474 PolarHBondContact O-N 2.79Å; Q474-R476 VanDerWaalsContact C-N 3.35Å
475N35.5Very low37.8Very low126 Ų126136.5 Ų136.567%0.67470%0.704SS**THydrogen-bonded Turntrans-81.2-11175.4-81-52.2000113.7K471 E473K471-N475 PolarHBondContact O-ND2 3.11Å; K471-N475 VanDerWaalsContact O-ND2 3.09Å; E473-N475 PolarHBondContact O-N 3.07Å
476R36.8Very low36.6Very low219 Ų219141.6 Ų141.683%0.82672%0.722SS**THydrogen-bonded Turntrans-87.8-10.8-173.7-152172.3-167.2143.64.8113.8E473 Q474E473-R476 WeakPolarHBondContact O-CB 3.37Å; E473-R476 PolarHBondContact O-N 3.38Å; Q474-R476 VanDerWaalsContact C-N 3.35Å
477A35.5Very low35.8Very low93 Ų93142.6 Ų142.677%0.76972%0.719SS**THydrogen-bonded Turntrans-90.9-2.2-173.600000115.4
478N36.3Very low35.2Very low133 Ų133141.9 Ų141.971%0.71172%0.72SS**SBendtrans-135.424.8-164.3-161.530000115.9
479M33Very low34.3Very low164 Ų164144.3 Ų144.381%0.80873%0.733SS**  trans-139.7127.8171.1-78.8-64149.600111.9S481M479-S481 PolarHBondContact O-N 3.45Å
480N37.6Very low33.6Very low176 Ų176146.5 Ų146.594%0.94174%0.744SS**  trans-60.1130.8167-89.6-27.8000109.7
481S29.6Very low33.2Very low121 Ų121148 Ų14885%0.84675%0.751SS**  trans-112.493.1179.763.10000111.2M479M479-S481 PolarHBondContact O-N 3.45Å
482D32.4Very low32.7Very low141 Ų141148 Ų14875%0.75476%0.757SS**  trans-132.6128.4164.3-143.2-16.4000109
483N29Very low32Very low130 Ų130154.2 Ų154.270%0.69577%0.769SS**  trans64122.6-168.5-47.2-89.1000116.7
484F27.4Very low31.5Very low215 Ų215154.1 Ų154.194%0.94377%0.773SS**  -154139.9125.1-118.8-76.1000110.5
485F31.5Very low31.1Very low171 Ų171155.6 Ų155.675%0.7578%0.78SS**  trans-83.3150.7-178.4-82.7-107.6000112.3
486Q26.9Very low31.1Very low192 Ų192155.5 Ų155.590%0.89779%0.787SS**  trans-93.3141.4148.1-75.7-173.2-43.700109.1
487D28Very low30.9Very low83 Ų83151 Ų15144%0.44478%0.783SS.*  trans-147.4149.3169.1-172.713.7000110Y324Y324-D487 PolarHBondContact OH-OD1 3.27Å
488K29Very low30.9Very low152 Ų152151 Ų15166%0.66178%0.783SS**  trans51102.3174.3-71.4135.5-170.11510118.7
489L29.7Very low30.7Very low177 Ų177151.4 Ų151.493%0.92778%0.784SS**  -154.8129.2113.8-111.4162.9000110.7
490V31.1Very low30.6Very low118 Ų118151.1 Ų151.172%0.71578%0.784SS**  trans-105.6117.2-172.6176.40000110.6
491H32.1Very low30.2Very low174 Ų174151.1 Ų151.181%0.80678%0.778SS**  trans34.4134.8158.5-52.7-44.2000121.4
492I26.9Very low30.1Very low161 Ų161149.7 Ų149.783%0.82677%0.774SS**  -156.7129.5114.6-100.1150.6000110
493Y27.1Very low30.1Very low188 Ų188149 Ų14974%0.73778%0.777SS**  trans46.9137.9163.7-90.5-103.4000123.1
494N29.4Very low30.2Very low141 Ų141151.4 Ų151.475%0.75478%0.784SS**  trans61.9118.5155.5-64.9-13.1000120.1
495Q28.6Very low30.3Very low192 Ų192149.4 Ų149.490%0.89778%0.782SS**  trans-116.9153.1142.3-82.1-168.9-13.200109.5
496P34.4Very low30.3Very low125 Ų125150.6 Ų150.681%0.81279%0.787SS**  trans-87.3149.2-154.432.7-36.4000114.9
497V34.3Very low30.2Very low124 Ų124145.6 Ų145.675%0.75279%0.787SS**  trans-77.4126164.7176.30000109.1I499V497-I499 HydrophobicContact CG1-CG1 4.03Å; V497-I499 PolarHBondContact O-N 3.14Å
498A34.8Very low30.2Very low94 Ų94146.1 Ų146.178%0.77780%0.803SS**  trans-76.1101.2165.300000109.4I500A498-I500 PolarHBondContact O-N 2.75Å
499I31Very low30.3Very low141 Ų141148 Ų14872%0.72381%0.814SS**  trans-82.6107.5173.2-58.4176.2000108.1V497V497-I499 HydrophobicContact CG1-CG1 4.03Å; V497-I499 PolarHBondContact O-N 3.14Å
500I32.2Very low30.2Very low157 Ų157148.7 Ų148.781%0.80581%0.813SS**PPolyproline II helixtrans-95.8118166.6-58.8178.6000107.2A498A498-I500 PolarHBondContact O-N 2.75Å
501Q28.2Very low30.3Very low177 Ų177151.1 Ų151.183%0.82782%0.816SS**PPolyproline II helixtrans-77.9135.8172.9-70179.3-43.200109.9
502A27.3Very low30Very low90 Ų90152.2 Ų152.274%0.74482%0.822SS**PPolyproline II helixtrans-87.3138.1172.700000110.7
503P33.4Very low30Very low126 Ų126152.4 Ų152.482%0.81882%0.823SS**PPolyproline II helixtrans-67.2147.4152.9-1430.2000110
504E31.6Very low30.3Very low181 Ų181149.5 Ų149.585%0.84683%0.828SS**PPolyproline II helixtrans-72.2146.1179.5-56.1178.4147.700112.3
505L29.3Very low30.1Very low173 Ų173146.6 Ų146.691%0.90683%0.831SS**  trans-166.8119.4133-108.4164.9000110.7
506F31.5Very low30.1Very low197 Ų197143.6 Ų143.686%0.86483%0.83SS**  trans-82149.4171.1-82.2-99.4000111
507G24.7Very low29.8Very low86 Ų86147.7 Ų147.789%0.88784%0.835SS**  trans-134.855.417500000112
508A28.5Very low29.5Very low95 Ų95146.2 Ų146.279%0.78584%0.836SS**  trans-96147.8173.300000111
509Q30.4Very low29.1Very low191 Ų191146.2 Ų146.289%0.89384%0.835SS**  trans-97.3118.8-168.6172.3-175.8-25.800111.8
510E28.5Very low29Very low191 Ų191146.2 Ų146.289%0.89384%0.842SS**  trans-146.6160.2166.1-162.5157.5-152.300111.5
511Q32.1Very low28.7Very low170 Ų170148.1 Ų148.179%0.79485%0.845SS**  trans-110.9124.6-161.8-65160-107.900113.2
512Q26.5Very low29.8Very low197 Ų197144.7 Ų144.792%0.92184%0.838SS**  trans-167152.4145.1-111161.416.700114.1
513L25.3Very low30.1Very low164 Ų164150.9 Ų150.986%0.85984%0.842SS**  trans-115.7172.5168.5-76.496.6000108.6
514P33.9Very low29.8Very low127 Ų127152 Ų15283%0.82584%0.841SS**  cis-127.8164.2-25.431.5-14000113.6
515G26.3Very low29.7Very low80 Ų80147.1 Ų147.183%0.82584%0.84SS**  trans-159.2130.2176.800000116.8
516C27.3Very low29.7Very low129 Ų129143.1 Ų143.187%0.87283%0.832SS**  trans-72.4132-165.7-63.10000119.3
517K29.4Very low29.6Very low212 Ų212142.3 Ų142.392%0.92283%0.831SS**  trans24.7126.4135.1-63.9-179.2176.2179.70122.8
518A26.3Very low30Very low93 Ų93149.9 Ų149.977%0.76983%0.834SS**  -161.9140.9129.900000107.7
519A26.9Very low30.1Very low93 Ų93150.7 Ų150.777%0.76983%0.825SS**  cis68.3128.549.300000112.4
520T29.6Very low30.1Very low142 Ų142148.2 Ų148.287%0.87182%0.823SS**  cis-148.2170.134.5380000117.2
521F25.2Very low30.4Very low197 Ų197146.1 Ų146.186%0.86481%0.813SS**  trans-80.1-167.1174-87.5-74.4000114.6
522P52.6Low30.4Very low105 Ų105143.7 Ų143.768%0.68282%0.815SS**  cis-139.6177.5-34.133.7-15.2000115.1
523R32.3Very low30.8Very low220 Ų220143.1 Ų143.183%0.8381%0.812SS**  -179.4138.8113.8-103.4-169.3157.5123.5-2115.9
524N28.2Very low31.7Very low148 Ų148140.6 Ų140.679%0.79181%0.806SS**  trans23.6133.9146.1-49.214.9000119.1
525G28.6Very low31.5Very low79 Ų79138.9 Ų138.981%0.81480%0.803SS**  cis162.5-173.77.500000109.5
526A29.3Very low31.5Very low89 Ų89141.5 Ų141.574%0.73680%0.798SS**  cis-163.3164.4-6.900000110.9
527E30.6Very low31.8Very low181 Ų181143 Ų14385%0.84679%0.79SS**  trans44.5110.7148.7-68.5164.8-146.600122.4
528Y32.4Very low32Very low245 Ų245138.9 Ų138.996%0.96178%0.777SS**  -151.1146.3104.3-113.8-81.6000109.3
529D30.3Very low32Very low111 Ų111141.2 Ų141.259%0.59478%0.777SS**  trans-135.1150.2-169.3-165.6-10.2000111.5H531D529-H531 IonicContact OD1-CE1 2.63Å; D529-H531 IonicContact OD1-ND1 3.64Å; D529-H531 IonicContact OD2-CE1 3.96Å; D529-H531 PolarHBondContact OD2-CE1 3.28Å; D529-H531 IonicContact OD2-ND1 3.63Å; D529-H531 IonicContact OD2-NE2 3.86Å
530T31.2Very low32.2Very low139 Ų139146.6 Ų146.685%0.85378%0.779SS**  trans-156.496.2162.1-58.70000109.8
531H34.7Very low32.3Very low147 Ų147146.1 Ų146.168%0.68178%0.776SS**  trans-51.4153175.5-44.1-64.8000114.5D529D529-H531 IonicContact OD1-CE1 2.63Å; D529-H531 IonicContact OD1-ND1 3.64Å; D529-H531 IonicContact OD2-CE1 3.96Å; D529-H531 PolarHBondContact OD2-CE1 3.28Å; D529-H531 IonicContact OD2-ND1 3.63Å; D529-H531 IonicContact OD2-NE2 3.86Å
532S30.6Very low32.5Very low120 Ų120144.6 Ų144.684%0.83977%0.772SS**  177.3117.793.140.70000115.6
533E36.7Very low31.5Very low184 Ų184146.3 Ų146.386%0.8678%0.78SS**  trans-130151140.9-164.5-168.7-160.400105.1
534P43.3Very low31.6Very low112 Ų112143.6 Ų143.673%0.72778%0.781SS**  -158.4171.7115.340-22000117.4
535A29.7Very low32.2Very low91 Ų91141.7 Ų141.775%0.75278%0.777SS**  trans79.8153.1136.200000121.6
536N26.6Very low32.2Very low135 Ų135146.7 Ų146.772%0.72278%0.776SS**  cis-173.1130.8-24-173.340.7000111.6
537K33.8Very low32.3Very low161 Ų161147.8 Ų147.870%0.777%0.773SS**  trans52.3137.8144.3-82.8-178.7167.7-159.60126.8
538D32.3Very low32.2Very low124 Ų124146.4 Ų146.466%0.66377%0.767SS**  85.8129130-62.3-9.9000125.3
539N27.1Very low32.1Very low142 Ų142139.4 Ų139.476%0.75975%0.754SS**  trans85.2104.8140.8-74.1-29.1000126
540Y30.4Very low32.1Very low206 Ų206143 Ų14381%0.80877%0.767SS**  63.8114.5114.9-116.1-81.7000124
541T33.1Very low31.9Very low132 Ų132140.2 Ų140.281%0.8177%0.766SS**  trans-175.1122.5138.616.30000107.1
542Q29.8Very low31.5Very low166 Ų166136.6 Ų136.678%0.77677%0.769SS**  68.894.767.8-165.7-175.890.800115.6
543T30.3Very low31.4Very low141 Ų141136.5 Ų136.587%0.86577%0.768SS**  -179.7144.5129.922.20000112.1
544L33.7Very low30.9Very low162 Ų162133.3 Ų133.385%0.84877%0.766SS**  trans-164.3128.5173.8-146176.4000109.9
545P41.8Very low31.3Very low108 Ų108133.1 Ų133.170%0.70177%0.765SS**  trans-147.1178.4135.340.5-25.5000111.6
546K29.6Very low31.2Very low184 Ų184137.3 Ų137.380%0.877%0.769SS**  cis-153.9155.6-2.9-130.7157.9179.8175.50106.1
547V30Very low31.2Very low112 Ų112139.8 Ų139.868%0.67978%0.776SS**  cis142.7127.134.7-400000109.1
548H28Very low30.9Very low152 Ų152136 Ų13670%0.70478%0.782SS**  trans92133.4153.3-41.8111.8000117.6
549S30.9Very low30.6Very low99 Ų99137.6 Ų137.669%0.69279%0.791SS**  cis84.3148.930.781.90000114.2
550Q31.7Very low31.8Very low186 Ų186135 Ų13587%0.86978%0.782SS**  cis-170.6157.228.3-168.1177.57.500113.4
551G26.5Very low31.6Very low80 Ų80131.3 Ų131.383%0.82578%0.776SS**  trans81.4158.6156.800000119.2
552G26.3Very low31.5Very low72 Ų72133 Ų13374%0.74278%0.775SS**  cis177.5147.6-9.500000115.5
553S28.5Very low32.3Very low117 Ų117129.2 Ų129.282%0.81876%0.764SS**  trans41.6118156.460.30000124.6
554S25.1Very low32.2Very low117 Ų117130.9 Ų130.982%0.81876%0.762SS**  44.9166.1125.6-81.80000123.8
555P51.5Low32.5Very low109 Ų109127.9 Ų127.971%0.70875%0.753SS**  cis-140.2167.6-47.940.4-23.5000114.1
556Q28.5Very low31.9Very low178 Ų178130.3 Ų130.383%0.83276%0.759SS**  trans166139.7150.2-94.2171.5-34.900107.6
557Q27.4Very low32Very low187 Ų187130.2 Ų130.287%0.87476%0.762SS**  cis84.610136-166.1-177.218.600113
558G26.7Very low32.1Very low81 Ų81131.2 Ų131.284%0.83577%0.768SS**  trans173.199.7177.700000114.5
559N26.8Very low33Very low159 Ų159129.3 Ų129.385%0.8577%0.769SS**  trans-121.6173.2159.6-134.420.1000104.9
560P50.7Low33.6Very low87 Ų87130.3 Ų130.357%0.56577%0.773SS**  cis-134.8-137.3-10.4270.8000111.1
561D27.9Very low34.1Very low128 Ų128127.5 Ų127.568%0.68477%0.771SS**  trans77.2121.6154.3-54.5-18000118.5
562E29.8Very low34.1Very low168 Ų168127.2 Ų127.279%0.78577%0.768SS**  92.5154.854.7-87.9-147.369.900113.3
563P46.1Very low34.2Very low86 Ų86133.9 Ų133.956%0.55878%0.78SS**  cis-146-167-3842.2-24.5000115.2
564Q28.9Very low34Very low176 Ų176131.6 Ų131.682%0.82278%0.775SS**  trans70.7162.1152.9-75.2-177.510.300120.1
565P41.1Very low35.3Very low100 Ų100131.5 Ų131.565%0.64977%0.771SS**  cis-137.8177.6-38.738.9-22.6000114.7
566L28.5Very low34.1Very low159 Ų159132.4 Ų132.483%0.83278%0.775SS**  trans35.7124.6151.7-94.165.6000119.6
567E30.3Very low34.2Very low182 Ų182128.3 Ų128.385%0.8577%0.772SS**  cis-160165.547.2-68.4-168.8113.800113
568T32.8Very low34.3Very low133 Ų133124.7 Ų124.782%0.81677%0.767SS**  trans-100.9-179167.519.30000110.6
569P47.6Very low34.4Very low111 Ų111127.5 Ų127.572%0.72177%0.768SS**  cis-132.5-162.2-7.316.911.6000112.7
570P42.2Very low34.5Very low120 Ų120131.9 Ų131.978%0.77977%0.773SS**  cis-125.9-133-45.240-20.3000111.7
571P43.9Very low33.3Very low128 Ų128130.9 Ų130.983%0.83178%0.778SS**  trans-120.3165-138.228.6-3.2000117.3
572G26.3Very low33.3Very low73 Ų73135.3 Ų135.375%0.75379%0.785SS**  trans-165.827.2-173.300000121.9
573Q27.8Very low33.2Very low212 Ų212136.9 Ų136.999%0.99179%0.785SS**  trans66160.8167.7-62.6-177.8-18.200119.7
574G24.3Very low32.3Very low70 Ų70137.5 Ų137.572%0.72279%0.791SS**  trans-163.2169.1178.100000112.9
575P51.4Low32.3Very low114 Ų114136 Ų13674%0.7479%0.789SS**  trans-130.2169.1-149.240.2-24.8000118.4
576T27.7Very low31.7Very low129 Ų129139 Ų13979%0.79180%0.799SS**  trans53.9120.2153.949.50000120
577A29.1Very low31.9Very low92 Ų92138.2 Ų138.276%0.7679%0.794SS**  73.1134.662.100000115.2
578S30.4Very low31.9Very low110 Ų110138 Ų13877%0.76979%0.794SS**  cis-175.2134.6-8.551.20000113.2
579V29.3Very low31.5Very low140 Ų140137.1 Ų137.185%0.84879%0.793SS**  trans-149.1119.4163.9179.70000113.7
580W28Very low30.6Very low252 Ų252137.2 Ų137.296%0.95580%0.796SS**  trans20.4112.3153.6-64.975.5000123.9
581G26.1Very low30.1Very low65 Ų65138.2 Ų138.267%0.6780%0.799SS**  106.610897.200000122.6
582R28.1Very low29.2Very low222 Ų222137.6 Ų137.684%0.83880%0.798SS**  177.8133.4118.8-101.3-170.4-75.4-161.12.5114.1
583Y26.8Very low29.9Very low201 Ų201140.3 Ų140.379%0.78880%0.8SS**  trans48.6112.3165.9-53.5-62.7000119
584S27.8Very low30.1Very low98 Ų98136.4 Ų136.469%0.68579%0.793SS**  74.3124.767.9-80.50000114.4
585N27.7Very low30.3Very low145 Ų145135.6 Ų135.678%0.77579%0.785SS**  cis-147.5139.23.4-60.9-62.1000111.7
586L29.6Very low29.6Very low163 Ų163137.3 Ų137.385%0.85379%0.793SS**  trans-158136.9152.5-97.8-178.6000110.8
587L32.3Very low29.8Very low142 Ų142137.6 Ų137.674%0.74379%0.789SS**  trans59.2134.5158.9-67.7166.2000122.5
588E30.2Very low29.9Very low179 Ų179140.8 Ų140.884%0.83679%0.793SS**  trans65.1126142.3-67.8177.9170.200123.3
589S24.5Very low30.2Very low114 Ų114143.8 Ų143.880%0.79780%0.795SS**  trans-156.6154.9138.558.10000108
590S27.8Very low30.7Very low112 Ų112141.9 Ų141.978%0.78380%0.795SS**  cis-178.7117.5-29-91.10000105
591V31.9Very low30.9Very low141 Ų141135.1 Ų135.186%0.85579%0.792SS**  trans14.4131.2153.4-176.30000119.6
592S26.5Very low31Very low115 Ų115135.3 Ų135.380%0.80480%0.795SS**  trans-145.6134.9139.556.20000111.8
593V39.6Very low31.2Very low131 Ų131133.9 Ų133.979%0.79480%0.8SS**  trans-147.9123.8174.2177.50000108.9
594P32.4Very low31.4Very low129 Ų129133.8 Ų133.884%0.83881%0.806SS**  trans-138.5163.713136.7-24.4000111.6
595G28.7Very low31.6Very low54 Ų54133.1 Ų133.156%0.55781%0.807SS**  cis168.7172.6-1.400000110.6
596T35.8Very low31.8Very low150 Ų150135.7 Ų135.792%0.9281%0.811SS**  trans68.4151.2-171.278.30000113.7
597L32.9Very low31.8Very low135 Ų135132.5 Ų132.571%0.70780%0.803SS**  cis-148.8128.79.9-179.3154.4000105.4E599L597-E599 HydrophobicContact CD2-CB 4.02Å
598N31.2Very low31.6Very low158 Ų158131.3 Ų131.385%0.84581%0.806SS**  cis67.169.438.8-161.580000116.4
599E37.4Very low31.4Very low173 Ų173125.9 Ų125.981%0.80880%0.799SS**  trans-150.2170.9152.9-163162.5-175.300109.1L597L597-E599 HydrophobicContact CD2-CB 4.02Å
600A38.2Very low31.7Very low101 Ų101129.2 Ų129.284%0.83580%0.801SS**  trans68.138.5177.200000117.7
601A32.5Very low31.7Very low109 Ų109129 Ų12990%0.90180%0.8SS**  trans-90.4109.1144.300000108
602G29.9Very low31.5Very low70 Ų70127.1 Ų127.172%0.72279%0.793SS**  trans-179.272.5-171.900000116.3
603M31.5Very low31.9Very low192 Ų192129.5 Ų129.595%0.94679%0.791SS**  trans170.7127.9135.4-94168.168.200109.5
604E31.7Very low32Very low199 Ų199131 Ų13193%0.9379%0.794SS**  trans-88.5175.3173.3-69.1-172.2118.600111.9
605A31.5Very low32.1Very low84 Ų84133.7 Ų133.769%0.69480%0.795SS**  trans-59159.9-172.700000115.4
606F31.9Very low32.7Very low198 Ų198134.2 Ų134.287%0.86880%0.801SS**  -169.6149.4114.3-99.8-63.7000113.7
607S28.8Very low33.1Very low97 Ų97135.1 Ų135.168%0.67880%0.798SS**  trans60.8103.2146.7-56.30000122.6
608S27.7Very low33.6Very low117 Ų117132.5 Ų132.582%0.81879%0.791SS**  30.6129.1124.263.40000122.5
609G25.8Very low34.4Very low65 Ų65133.7 Ų133.767%0.6779%0.792SS**  113.3130.5122.100000119.4
610H31Very low35Very low183 Ų183135.8 Ų135.885%0.84779%0.792SS**  trans53.9106.9146.7-66.2-79000121.8
611S29.1Very low35.5Very low109 Ų109135.4 Ų135.476%0.76278%0.779SS**  56.6144.4125.465.70000123.6
612S28.3Very low36Very low100 Ų100136.4 Ų136.470%0.69977%0.769SS**  trans96.5166.2149.7-1440000118.6
613E33Very low36.7Very low165 Ų165139.8 Ų139.877%0.77177%0.77SS**  trans50.796175.8-80.8104.9-89.200119.7
614L42.8Very low37.5Very low164 Ų164138.5 Ų138.586%0.85976%0.762SS**  trans-22.8131.5130.1-63156000113.7
615Q35.1Very low38.1Very low184 Ų184135.6 Ų135.686%0.8675%0.752SS**  -165.1126.2112.2-161.166.1-2300114.3
616G39.8Very low38.6Very low65 Ų65137.2 Ų137.267%0.6775%0.753SS**  trans68.791.4142.300000120.9
617I44.4Very low39Very low169 Ų169139.5 Ų139.587%0.86776%0.756SS**  trans-140.8127.7133.220.6173.6000111.6
618S43.8Very low39.1Very low81 Ų81137.2 Ų137.257%0.56675%0.748SS**  trans-17.2139.918054.10000121.2R620S618-R620 PolarHBondContact O-N 2.74Å
619E47.7Very low39.2Very low182 Ų182140.5 Ų140.585%0.8575%0.748SS**THydrogen-bonded Turntrans-62.611.2174.9-55.6179145.700116.3
620R50.1Low39.3Very low218 Ų218143.3 Ų143.382%0.82376%0.757SS**THydrogen-bonded Turntrans-90.2-19178.1-73.2-174.7172.6133.72.6114S618S618-R620 PolarHBondContact O-N 2.74Å
621T48Very low39.4Very low92 Ų92139.6 Ų139.656%0.56475%0.752SS**SBendtrans-89-14.6-175.6-44.80000113.7
622L44.5Very low39.9Very low131 Ų131139.3 Ų139.369%0.68675%0.749SS**SBendtrans-82.8-23.5-178.8-78.1172.8000114.5E624 L625 T626L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.96Å; L622-L625 PolarHBondContact O-N 2.83Å; L622-T626 PolarHBondContact O-OG1 3.22Å
623L43.8Very low40.2Very low141 Ų141139 Ų13974%0.73875%0.753SS**THydrogen-bonded Turntrans-72.4-22.9-178.4-83.4164.2000113.8
624E48.3Very low40.1Very low165 Ų165139 Ų13977%0.77175%0.753SS**THydrogen-bonded Turntrans-82.8-17.4179.9-61.1-167.7141.700113L622L622-E624 VanDerWaalsContact C-N 3.33Å; L622-E624 PolarHBondContact O-N 2.96Å
625L45.4Very low39.7Very low138 Ų138137.3 Ų137.372%0.72375%0.751SS**G310 helixtrans-88.3-12.8-178.5-67.1175.9000114.1L622L622-L625 PolarHBondContact O-N 2.83Å
626T42.1Very low39.8Very low118 Ų118137.7 Ų137.772%0.72475%0.745SS**G310 helixtrans-891-179.2-26.20000114.3L622L622-T626 PolarHBondContact O-OG1 3.22Å
627R40.1Very low40.2Very low245 Ų245138.3 Ų138.393%0.92574%0.744SS**G310 helixtrans-117.841171.8-82.6-172.1168.8178.9-2.2113.4
628G30.2Very low39.9Very low50 Ų50140.2 Ų140.252%0.51574%0.74SS.*  trans-91.1135.1173.300000114.4
629K30.6Very low39.8Very low186 Ų186145.8 Ų145.881%0.80975%0.754SS**  trans73.2111168.3-63.791.2173.2-175.70118.4
630S26.4Very low39.8Very low124 Ų124143.2 Ų143.287%0.86775%0.751SS**  -147.970.1125.7-81.40000108.6S632S630-S632 PolarHBondContact O-N 3.13Å; S630-S632 VanDerWaalsContact O-N 3.14Å
631S35Very low39.3Very low105 Ų105137.6 Ų137.673%0.73475%0.745SS**  trans-84.479.4-174.154.10000112.1A633S631-A633 VanDerWaalsContact C-N 3.27Å; S631-A633 PolarHBondContact O-N 3.38Å
632S37.9Very low39.4Very low102 Ų102141.1 Ų141.171%0.71376%0.759SS**  trans-73.476.4172.558.50000111.4S630 H634S630-S632 PolarHBondContact O-N 3.13Å; S630-S632 VanDerWaalsContact O-N 3.14Å; S632-H634 PolarHBondContact O-N 2.76Å
633A35.4Very low39.6Very low93 Ų93141.7 Ų141.777%0.76976%0.763SS**  trans-74.7111.2173.400000110.1S631S631-A633 VanDerWaalsContact C-N 3.27Å; S631-A633 PolarHBondContact O-N 3.38Å
634H31.1Very low39.6Very low167 Ų167138.7 Ų138.777%0.77377%0.766SS**  trans-63141.9172.5-63.7-81.3000110.8S632 R636S632-H634 PolarHBondContact O-N 2.76Å; H634-R636 PolarHBondContact O-N 3.42Å
635P34Very low39.4Very low127 Ų127139.4 Ų139.483%0.82577%0.767SS**  trans-65119.6179.926.2-33.9000110.7A637P635-A637 PolarHBondContact O-N 3.39Å
636R38.1Very low39.1Very low193 Ų193139 Ų13973%0.72877%0.773SS**  trans-90.5103.3-177-137.7175.873.9-150.64.3110H634 W638H634-R636 PolarHBondContact O-N 3.42Å; R636-W638 VanDerWaalsContact NH2-CZ2 3.33Å
637A47.6Very low39Very low78 Ų78137.9 Ų137.965%0.64578%0.775SS**  trans-65.515017400000111.6P635P635-A637 PolarHBondContact O-N 3.39Å
638W38.8Very low39.1Very low209 Ų209130.5 Ų130.579%0.79277%0.766SS**  trans-119.6130.6173.1-65.577.6000108.8R636R636-W638 VanDerWaalsContact NH2-CZ2 3.33Å
639F41.6Very low39.5Very low197 Ų197136.7 Ų136.786%0.86478%0.782SS**  trans-100.9135.5176.9-62.9-87.8000109.7
640V47.6Very low40.2Very low128 Ų128133 Ų13378%0.77678%0.775SS**  trans-130.3121.5173.2-178.40000108.3
641S39Very low40.6Very low101 Ų101138 Ų13871%0.70678%0.775SS**  trans-89.6132.9172.1-56.70000109.5D643S641-D643 VanDerWaalsContact C-N 3.32Å; S641-D643 PolarHBondContact O-N 3.18Å
642L50.4Low40.8Very low165 Ų165140.6 Ų140.686%0.86478%0.775SS**SBendtrans-80.3-8.7-173.7-66.8171.5000114.3G644L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 2.82Å
643D49.3Very low40.8Very low143 Ų143140.9 Ų140.977%0.76578%0.777SS**SBendtrans-87.716.2-168-58.7-33000115.6S641 K645S641-D643 VanDerWaalsContact C-N 3.32Å; S641-D643 PolarHBondContact O-N 3.18Å; D643-K645 PolarHBondContact O-N 3.27Å
644G43.5Very low40.8Very low78 Ų78143.6 Ų143.680%0.80478%0.777SS**  trans64.19.7165.900000117.7L642L642-G644 VanDerWaalsContact C-N 3.33Å; L642-G644 PolarHBondContact O-N 2.82Å
645K43Very low41.2Very low180 Ų180142.7 Ų142.778%0.78378%0.777SS**PPolyproline II helixtrans-100.6138.7176.1-68.2178.9-1771750111D643 A647D643-K645 PolarHBondContact O-N 3.27Å; K645-A647 PolarHBondContact O-N 3.19Å
646P40.2Very low41Very low131 Ų131143.2 Ų143.285%0.85177%0.768SS**PPolyproline II helixtrans-64.5124.9178.826.7-33.8000110.5
647A38.8Very low40.9Very low93 Ų93141.9 Ų141.977%0.76978%0.775SS**PPolyproline II helixtrans-66.2138.717900000111.3K645K645-A647 PolarHBondContact O-N 3.19Å
648A43.7Very low40.1Very low90 Ų90143.2 Ų143.274%0.74477%0.767SS**PPolyproline II helixtrans-63.9142.4175.200000111V650A648-V650 PolarHBondContact O-N 3.11Å
649Q38.3Very low39.7Very low180 Ų180138.4 Ų138.484%0.84177%0.765SS**  trans-65102.5-170.4-170.6-178.727.400112.5R651Q649-R651 PolarHBondContact O-N 3.49Å
650V43.6Very low39.1Very low110 Ų110138.4 Ų138.467%0.66776%0.76SS**  trans-68.5115.1176.4179.60000110A648 H652A648-V650 PolarHBondContact O-N 3.11Å; V650-H652 PolarHBondContact O-N 2.95Å
651R35.6Very low38.4Very low228 Ų228141.3 Ų141.386%0.8677%0.765SS**  trans-83.4110.4173.5-74.9-178.7169-179.6-4.6110.4Q649 S653Q649-R651 PolarHBondContact O-N 3.49Å; R651-S653 PolarHBondContact O-N 2.71Å
652H39.9Very low38.2Very low159 Ų159148 Ų14874%0.73677%0.774SS**  trans-79110.7169.4-64.8-79.6000110.6V650 I654V650-H652 PolarHBondContact O-N 2.95Å; H652-I654 PolarHBondContact O-N 2.7Å
653S36.5Very low37.6Very low109 Ų109145.6 Ų145.676%0.76277%0.769SS**  trans-80.792.1169.656.70000110.4R651 I655R651-S653 PolarHBondContact O-N 2.71Å; S653-I655 PolarHBondContact O-N 3.25Å
654I36.1Very low37.3Very low149 Ų149144.9 Ų144.976%0.76477%0.772SS**  trans-70.2121.9170.1-62.4170.5000108.1H652H652-I654 PolarHBondContact O-N 2.7Å
655I39.1Very low36.8Very low149 Ų149146.3 Ų146.376%0.76477%0.77SS**  trans-96.3102.1170.5-63179.2000107.7S653 L657S653-I655 PolarHBondContact O-N 3.25Å; I655-L657 PolarHBondContact O-N 3.03Å
656E30.4Very low36.3Very low137 Ų137143.2 Ų143.264%0.6477%0.771SS**  trans-84.6106.4178.7-168.5-173.214500110Q658E656-Q658 VanDerWaalsContact C-N 3.26Å; E656-Q658 HydrophobicContact CG-CG 4.06Å; E656-Q658 PolarHBondContact O-N 3.09Å; E656-Q658 WeakPolarHBondContact OE1-CG 3.37Å; E656-Q658 PolarHBondContact OE1-NE2 3.35Å
657L35Very low36.2Very low166 Ų166143.9 Ų143.987%0.86977%0.767SS**  trans-76.175.4175-79.5168.9000111I655 S659I655-L657 PolarHBondContact O-N 3.03Å; L657-S659 PolarHBondContact O-N 2.87Å
658Q32.4Very low36Very low105 Ų105146.9 Ų146.949%0.49177%0.77SS.*  trans-67.694.6170.2-71.8-164.24.800111E656 R660E656-Q658 VanDerWaalsContact C-N 3.26Å; E656-Q658 HydrophobicContact CG-CG 4.06Å; E656-Q658 PolarHBondContact O-N 3.09Å; E656-Q658 WeakPolarHBondContact OE1-CG 3.37Å; E656-Q658 PolarHBondContact OE1-NE2 3.35Å; Q658-R660 PolarHBondContact O-N 3.01Å; Q658-R660 VanDerWaalsContact OE1-NE 3.14Å
659S29.3Very low35.5Very low108 Ų108148.4 Ų148.476%0.75577%0.77SS**  trans-59.7127.8158.6-178.70000109.5L657L657-S659 PolarHBondContact O-N 2.87Å
660R29.7Very low35.3Very low198 Ų198145 Ų14575%0.74777%0.766SS**  trans-128.8120.6170.9-71-170.7179.6-108.6-2110.1Q658Q658-R660 PolarHBondContact O-N 3.01Å; Q658-R660 VanDerWaalsContact OE1-NE 3.14Å
661H32.7Very low34.9Very low189 Ų189148 Ų14888%0.87578%0.778SS**  trans-61.3154.9172.8-70.9-93.8000111.8
662R34.2Very low34.8Very low240 Ų240144.8 Ų144.891%0.90678%0.778SS**  trans-125.7135.6172.7-157.9175.3-161.5155.93.9109.3
663P39.1Very low34.7Very low115 Ų115142.5 Ų142.575%0.74778%0.779SS**  trans-79.7167.3179.632.9-35.6000112.8
664P42.5Very low34.5Very low129 Ų129141 Ų14184%0.83878%0.781SS**  trans-98.6156.4-167.537.7-35.7000115.3
665S32.1Very low34.6Very low108 Ų108140.6 Ų140.676%0.75579%0.786SS**  trans-159.7121.9163.258.10000113
666S34Very low34.5Very low115 Ų115140.9 Ų140.980%0.80479%0.788SS**  trans29.3143.414754.50000123.9
667N37.9Very low35.3Very low145 Ų145141.3 Ų141.378%0.77579%0.792SS**  trans-52.4158.4168.6-46.7-16.4000115.1
668D33.2Very low35.2Very low155 Ų155140.6 Ų140.683%0.82979%0.789SS**  -166.5-168.2108.2-99.5-16.9000112.9
669T32.9Very low35.3Very low122 Ų122143.3 Ų143.375%0.74880%0.802SS**  trans-109.7-177.1-146.155.70000116.9
670S36.1Very low36.3Very low109 Ų109142.4 Ų142.476%0.76279%0.794SS**  trans75.7135.2178.168.70000116.3
671L35.2Very low36.4Very low174 Ų174139.2 Ų139.291%0.91179%0.791SS**  cis76.7106.532.6-61.7179.5000115.6
672D31.4Very low36.5Very low160 Ų160138.1 Ų138.186%0.85679%0.786SS**  -165.4-169.6117.5-151.9-18.7000110.1
673S39.3Very low36.3Very low110 Ų110132.6 Ų132.677%0.76978%0.775SS**  trans-122.6171-159.3570000113.1
674G31.9Very low36.2Very low77 Ų77132.9 Ų132.979%0.79477%0.768SS**  trans165.195.8173.500000113.7
675V37.5Very low35.9Very low142 Ų142136.5 Ų136.586%0.86177%0.765SS**  trans-112.1133.2170.9177.70000108.6
676D38.4Very low36Very low154 Ų154136.9 Ų136.982%0.82476%0.759SS**  trans-146.8153.2160.8-163.88.8000109.8
677M46.9Very low36Very low147 Ų147139 Ų13972%0.72476%0.758SS**  trans-151.6123.8-169.4-91.8-76.2-71.600110.8
678N32.2Very low35.6Very low150 Ų150137.4 Ų137.480%0.80275%0.746SS**  trans-162.5106.8155.4-97.4-42.4000112.6
679E35.7Very low35.7Very low162 Ų162138.8 Ų138.876%0.75774%0.74SS**  31.3155.3105.2-84.8-155.5-171.400121.6
680P49.8Very low35.5Very low90 Ų90139.4 Ų139.458%0.58474%0.738SS**  cis-142.6-157.6-4731.4-7.8000112.9
681L32.3Very low35.3Very low131 Ų131145 Ų14569%0.68674%0.743SS**  trans105.2109.8150.6-58.4159.2000120.8
682Q34.1Very low35.6Very low165 Ų165142.4 Ų142.477%0.77174%0.736SS**  70.7154.3124.8-67.4-164.82900122
683N30.6Very low35.3Very low125 Ų125139.9 Ų139.967%0.66873%0.731SS**  cis-170.9173.1-30.9-153.9-7.9000110.1
684I36.6Very low34.9Very low120 Ų120142.4 Ų142.462%0.61573%0.733SS**  trans71.7110147.1-78.3159.2000120.7
685R36.2Very low34.6Very low205 Ų205150.6 Ų150.677%0.77474%0.739SS**  59.8162.9121.3-60.1-170.6144.4151.93.2122.5
686D33Very low34.2Very low117 Ų117147.6 Ų147.663%0.62674%0.738SS**  cis-169.1149.4-23.9-91.3-20.4000108.2
687M34.6Very low33.7Very low159 Ų159145.6 Ų145.678%0.78374%0.736SS**  trans62.5169.7150.8-104.7155.858.200119.3
688E30.6Very low32.9Very low112 Ų112143.3 Ų143.352%0.52373%0.734SS.*  cis-160.1145.8-9.7-156.7168.8-149.800112.2
689R34.5Very low33Very low184 Ų184144.1 Ų144.169%0.69474%0.738SS**  trans56.5165.4161.6-82179.4-146.197.421.9118.7
690D29.2Very low32.7Very low135 Ų135142.3 Ų142.372%0.72274%0.74SS**  cis-145.7-174.34.6-137-44.2000114.4
691R31.6Very low31.6Very low227 Ų227146.7 Ų146.786%0.85775%0.752SS**  trans-85.4-175.9-176.6-89176.3173.2174.3-0.9115.1
692P40.7Very low31.5Very low119 Ų119148.7 Ų148.777%0.77376%0.758SS**  cis-135.8-179.9-14.527.8-5.1000116.7
693S25.1Very low31.4Very low106 Ų106144.5 Ų144.574%0.74176%0.758SS**  trans121.7159.9133.7-153.60000119.5
694M31.3Very low31.3Very low164 Ų164150.6 Ų150.681%0.80877%0.772SS**  trans71.2102.9171.7-65.9-62.4173.500121.5
695R26.5Very low31Very low248 Ų248148.3 Ų148.394%0.93678%0.778SS**  trans21.1108.8133.4-176.9-170.4-79.5-157.6-3.7117.7
696G27.9Very low30.8Very low80 Ų80142.1 Ų142.183%0.82578%0.778SS**  trans-162.3147.6165.700000112.1
697S28.9Very low30.7Very low112 Ų112146.3 Ų146.378%0.78379%0.785SS**  trans-92.4158.9-169.1540000115.6
698S30.2Very low30.2Very low98 Ų98147.2 Ų147.269%0.68578%0.781SS**  trans62.9110.4146.357.40000121.2
699L33.2Very low30.3Very low168 Ų168146.9 Ų146.988%0.8879%0.787SS**  trans33.7128.8146.1-73.687.5000121.4
700P29.3Very low30.1Very low124 Ų124145.8 Ų145.881%0.80579%0.789SS**PPolyproline II helixtrans-80.2165.816436.2-35.3000113
701H28.3Very low30.2Very low181 Ų181146.2 Ų146.284%0.83879%0.787SS**PPolyproline II helixtrans-93.8169.9171.7-118.650.9000112.6
702H30.3Very low30.2Very low174 Ų174141.9 Ų141.981%0.80678%0.777SS**PPolyproline II helixtrans-55.8158.1168.7-53.8-87000112
703G30.6Very low29.8Very low76 Ų76142.3 Ų142.378%0.78477%0.773SS**  cis112.188.21100000112.1
704R29.6Very low29.9Very low253 Ų253145.9 Ų145.996%0.95578%0.782SS**  trans-165141.5175.1178.7-174.5-92.1-117.84.5108.7
705G29.5Very low29.8Very low72 Ų72143 Ų14374%0.74278%0.778SS**  cis150.4108.2-12.800000114.1
706G31.3Very low29.9Very low76 Ų76136.2 Ų136.278%0.78477%0.769SS**  trans84.2163.1172.700000115.7
707R31.2Very low30.1Very low204 Ų204138 Ų13877%0.7777%0.769SS**  cis-164.8147.7-4.6-107.6-166.1-174.7-1185.4110.2
708Y25.1Very low30.5Very low179 Ų179141.8 Ų141.870%0.70277%0.774SS**  trans70.1137150.1-80.6-119.7000117.5
709V32.1Very low30.6Very low105 Ų105142.6 Ų142.664%0.63678%0.779SS**  cis87.5131.344.7163.90000110.5
710E30.1Very low30.6Very low160 Ų160138 Ų13875%0.74877%0.773SS**  cis-153.6-168.519.5-144.9158.1154.600114.6
711E31.2Very low30.7Very low145 Ų145137.9 Ų137.968%0.67877%0.77SS**  trans82.1146.4145-81.8173.2156.500121.6
712Q32.7Very low31Very low136 Ų136135.7 Ų135.764%0.63677%0.77SS**  cis-155.2155.8-3.3-153132.639.100115.6
713D30.8Very low31Very low128 Ų128131.6 Ų131.668%0.68477%0.766SS**  trans16.3152151.1-57.8-5000126.5
714L27.9Very low30.9Very low181 Ų181134.2 Ų134.295%0.94877%0.767SS**  -140.1164.1122.8-85.7-170.9000111.4
715S29.2Very low30.8Very low103 Ų103127.9 Ų127.972%0.7276%0.76SS**  trans-144.2152.2-155.4177.20000116.4
716S29.3Very low31Very low106 Ų106131 Ų13174%0.74177%0.765SS**  trans177.6133.3154.846.80000109.1
717S31.2Very low32.2Very low117 Ų117133 Ų13382%0.81876%0.764SS**  cis78.8118.747.7-55.30000113
718E36.9Very low32.1Very low192 Ų192132.7 Ų132.790%0.89777%0.771SS**  -15916578.517916788.300115.1
719S32.4Very low32.6Very low114 Ų114131.3 Ų131.380%0.79778%0.776SS**  trans-38.5158.9175.4-49.50000118.9
720G33.3Very low33.3Very low72 Ų72131 Ų13174%0.74278%0.776SS**  cis179.6-152.15.700000109.7
721T32.4Very low33.3Very low121 Ų121129 Ų12974%0.74278%0.78SS**  cis-160.81641.952.70000110.8
722T33.3Very low33.5Very low136 Ų136129.8 Ų129.883%0.83479%0.788SS**  trans32.1137.8154.157.70000122.7
723A30Very low33.7Very low87 Ų87133.3 Ų133.372%0.71980%0.795SS**  cis-153.8147.514.400000115.1
724T30.5Very low33.7Very low132 Ų132133.4 Ų133.481%0.8180%0.796SS**  trans10.8143.9132.61.60000119.5
725C26.7Very low33.9Very low120 Ų120131.6 Ų131.681%0.81179%0.786SS**  cis-145.2-178.737.7-76.80000116.4
726T32.7Very low34.2Very low138 Ų138134.4 Ų134.485%0.84779%0.792SS**  trans-93.7170.3-167.539.90000116.7
727P57.8Low34.3Very low118 Ų118137.2 Ų137.277%0.76680%0.798SS**  trans-106.5157.6-173.939.9-33.3000115.5
728E29.6Very low34.2Very low196 Ų196134.9 Ų134.992%0.91679%0.793SS**  trans-150.2156.6160.2-72.3-161.7161.900112.3
729D35.6Very low33.8Very low150 Ų150131.4 Ų131.480%0.80279%0.79SS**  trans-147.4126.8164.3168.333.2000106.7
730P45.4Very low34Very low100 Ų100132 Ų13265%0.64979%0.794SS**  -154.9156.1124.937.5-19.7000118.3
731S29.7Very low34.1Very low118 Ų118132.4 Ų132.483%0.82580%0.798SS**  trans95.3169.2137.881.70000121.4
732L35.3Very low34Very low160 Ų160131.5 Ų131.584%0.83880%0.803SS**  trans-114.7151.6-152.7-62161.6000113.3
733R37.1Very low34.1Very low211 Ų211132.7 Ų132.780%0.79680%0.803SS**  158.5146.3115-89.8-177.5-174-89.67.1115.2
734N31.3Very low35Very low129 Ų129133.7 Ų133.769%0.6980%0.801SS**  trans69144.2139-71.219000119.2
735I31.7Very low34.8Very low144 Ų144134.9 Ų134.974%0.73880%0.803SS**  cis-138.8155.52.3-63.3-166.9000111.7
736L36.9Very low35.4Very low161 Ų161136.7 Ų136.784%0.84380%0.803SS**  trans-28155.4164.3-53.6160.5000119.8
737D29.8Very low35.9Very low165 Ų165135.8 Ų135.888%0.88280%0.8SS**  -160.8152.9105.2-142.8-12.9000115.1
738G29.4Very low34.7Very low69 Ų69138.5 Ų138.571%0.71180%0.802SS**  trans43.514416000000123.3
739S28.2Very low34.8Very low118 Ų118138.6 Ų138.683%0.82580%0.802SS**  cis-163.4174.7-2.2-172.50000110.4
740S38.3Very low34.6Very low128 Ų128140.9 Ų140.990%0.89580%0.8SS**  trans-156.9152.5178.4-75.50000114.1
741G33.7Very low33.9Very low79 Ų79142.5 Ų142.581%0.81480%0.803SS**  trans153153.5172.900000112.6
742A30.8Very low34Very low103 Ų103140.4 Ų140.485%0.85180%0.8SS**  cis-157.1169-5.500000111.2
743I36.2Very low33.9Very low161 Ų161140.4 Ų140.483%0.82680%0.798SS**  trans-108.9156.2174.3-54.9167.9000108.6
744P47.6Very low33.5Very low107 Ų107136.2 Ų136.270%0.69579%0.791SS**  trans-138.6135.9141.334-19000116.7
745N27.3Very low33.6Very low157 Ų157135.8 Ų135.884%0.8479%0.793SS**  trans83.2153.9146-60.3-17.2000122.6
746I38.8Very low33.7Very low159 Ų159134.1 Ų134.182%0.81580%0.795SS**  trans-148.1139.6-165.4-81.2168.2000105.5
747P42.5Very low33.5Very low119 Ų119131.6 Ų131.677%0.77379%0.79SS**  -146129.8102.833.5-14.3000116.6
748E34Very low33.7Very low174 Ų174127.9 Ų127.981%0.81378%0.782SS**  28.7121.6118.8-167.6168.8-139.600120.7
749E31Very low33.7Very low198 Ų198131.8 Ų131.893%0.92578%0.782SS**  trans-151.3177.9141.4-143.9168.5-143.300110.4
750R32.6Very low34Very low198 Ų198133.1 Ų133.175%0.74778%0.775SS**  trans-145.5165.1-147.5-134-173.6-166.2-131.315.4115.3
751D30.4Very low33.7Very low134 Ų134133.9 Ų133.972%0.71777%0.769SS**  trans66.6158.9156.7-58-27.8000119.9
752G30.2Very low33.7Very low74 Ų74135.6 Ų135.676%0.76377%0.769SS**  trans9591.7177.400000115.3
753M34Very low33.9Very low160 Ų160139.6 Ų139.679%0.78877%0.77SS**  cis86.7122.230.5-159.269.6-178.600114.6
754D29.6Very low33.6Very low124 Ų124136.3 Ų136.366%0.66376%0.761SS**  trans63.8153.8165-65.8-21.9000119.3
755T33.1Very low32.9Very low119 Ų119141.2 Ų141.273%0.7377%0.771SS**  cis-154.8176.1-1114.90000112.1
756S33.9Very low33.1Very low110 Ų110137.5 Ų137.577%0.76977%0.77SS**  trans-19.3162.9153.1-33.40000118.3
757S32.5Very low32.8Very low108 Ų108136.6 Ų136.676%0.75577%0.772SS**  cis-171.2-179.528.153.60000113.3
758A33.1Very low32.9Very low86 Ų86136.1 Ų136.171%0.71177%0.769SS**  trans16.1155.6135.400000122
759Q30.6Very low33.8Very low151 Ų151133.7 Ų133.771%0.70677%0.768SS**  cis-177154.9-7.4164.7174.6-30.700109.5
760E33.5Very low34.4Very low147 Ų147130.4 Ų130.469%0.68777%0.765SS**  trans49.3124.3160.6-73.1159.6176.800124
761D32.2Very low34.5Very low144 Ų144132.3 Ų132.377%0.7777%0.772SS**  57.9142.1127.2-63.51.5000126
762S33.4Very low34.6Very low114 Ų114136.4 Ų136.480%0.79778%0.777SS**  trans117.7112149.6-51.30000118.1
763E34.5Very low34.6Very low187 Ų187139.8 Ų139.887%0.87478%0.777SS**  trans29.8143.8137.5-67.6-157.8105.500122.7
764S31.8Very low34.6Very low92 Ų92143 Ų14364%0.64378%0.78SS**  cis-171176.31.952.50000112.2
765K31.5Very low34.7Very low210 Ų210145.6 Ų145.691%0.91379%0.786SS**  trans111.4137.5163.3-64.6170.9178.8170.70116.7
766G31.4Very low34.6Very low79 Ų79146.7 Ų146.781%0.81479%0.792SS**  trans137.664.316100000118.7
767T33.3Very low34.4Very low140 Ų140152.7 Ų152.786%0.85980%0.797SS**  trans-77.4171.4165.731.60000112.4
768P44.1Very low34.5Very low110 Ų110155.2 Ų155.271%0.71480%0.798SS**  cis-133.9-178.8-44.339.3-22.6000112.4
769P53.3Low34.6Very low122 Ų122163.2 Ų163.279%0.79281%0.809SS**  trans-100.3156.8-177.437.6-35000115.8
770P42.9Very low34.7Very low130 Ų130159.2 Ų159.284%0.84481%0.808SS**  trans-113.5165.6168.938.4-30.2000115.3
771R34.8Very low34.7Very low237 Ų237162.8 Ų162.889%0.89482%0.821SS**  trans-127.1149.5-177.8-105.3175.3166.7164.7-4.3112.2
772R32.5Very low34.8Very low221 Ų221160.7 Ų160.783%0.83482%0.824SS**  trans72.6120.7152.2-76.1-179160.8-172.2-5122.3
773L31.4Very low34.9Very low144 Ų144162.3 Ų162.375%0.75482%0.819SS**  57.2128.8125.5-64.2164.6000122.3
774R32.6Very low34.9Very low228 Ų228161.2 Ų161.286%0.8681%0.811SS**  174.8152.6105-97.8171.6177.5142.9-2116.1
775K33.1Very low35.1Very low179 Ų179167.5 Ų167.578%0.77882%0.821SS**  trans53.9121.7148.7-71.3-174.2174.1-174.40119.6
776V31.2Very low35.1Very low141 Ų141163.2 Ų163.286%0.85581%0.808SS**  71.2113.171.9172.30000114.9
777R28.6Very low35.4Very low236 Ų236164.2 Ų164.289%0.89180%0.799SS**  -165.4148.5127.3-163.9160.2-174.4165.92.7114.5
778E35.5Very low35.6Very low162 Ų162166.3 Ų166.376%0.75780%0.796SS**  trans-74147.5-179.2155.7-159.5-129.500117.5
779R34.3Very low35.1Very low254 Ų254169.6 Ų169.696%0.95880%0.801SS**  trans-159.7152.5147.1-73.1-165.6179.4-140.92.3108.6
780G32.4Very low34.5Very low66 Ų66169.9 Ų169.968%0.6880%0.801SS**  cis154111.6-16.200000115.2
781K34.3Very low34.2Very low222 Ų222175.4 Ų175.497%0.96581%0.805SS**  trans70.4158.2175-48.2-177-179.7-176.50114.3
782A34.7Very low34.5Very low100 Ų100173.3 Ų173.383%0.82681%0.805SS**  cis-162.1172.67.600000108.1
783E33.8Very low34.4Very low149 Ų149166.6 Ų166.670%0.69681%0.805SS**  cis-171.1173.1-20.8-168.3-136.9135.400107.9
784K34.8Very low34.9Very low163 Ų163170.1 Ų170.171%0.70981%0.808SS**  trans78.5123.4167.4-59178.1-176.6170.30117.7
785R37.2Very low35.8Very low224 Ų224165.4 Ų165.485%0.84581%0.806SS**  75.9135.363-94.2-169.9167.9-179.4-1.3113.4
786N31.6Very low36.5Very low120 Ų120163 Ų16364%0.64280%0.802SS**  cis-162.7140.9-3.2-14927.1000114.1
787T36.9Very low37.2Very low101 Ų101161.8 Ų161.862%0.6280%0.795SS**  trans39.4139.514555.10000125.9
788K38.2Very low37.8Very low183 Ų183159.4 Ų159.480%0.79679%0.791SS**  trans78126.1139.9-76.1170.3178.8-176.90120.8
789H34Very low38.3Very low180 Ų180162.8 Ų162.883%0.83380%0.796SS**  -159.4170.795.7-120-90.3000113.6
790V40.2Very low39Very low128 Ų128159.3 Ų159.378%0.77681%0.811SS**  trans-129142.4-177169.10000110.4
791R35.8Very low39.3Very low246 Ų246164 Ų16493%0.92882%0.818SS**  trans-157.2151.6151.5-154.8165.5-174.7123.72.9112
792E40.5Very low39.6Very low193 Ų193160.9 Ų160.990%0.90281%0.81SS**  trans-95.9166-176.9-57.9174104.200113.7
793G30.8Very low39.9Very low80 Ų80164.3 Ų164.383%0.82581%0.809SS**  trans-175.5105.4165.200000113.7
794R43.1Very low40.2Very low218 Ų218165.2 Ų165.282%0.82382%0.816SS**  trans-103.3158.3168.5-95.8-171.9-179.2168.80.7110.6
795P50.3Low40.6Very low128 Ų128165.3 Ų165.383%0.83182%0.822SS**  -111.5173.4129.933.7-31.7000112.3
796L48.2Very low40.8Very low129 Ų129161.4 Ų161.468%0.67582%0.821SS**  trans-158.5-177.2-169.6-128.9172.6000110.6
797T45.4Very low41.5Very low116 Ų116164.4 Ų164.471%0.71283%0.834SS**  trans78.7146.317974.80000115.6
798K42.6Very low41.8Very low185 Ų185169.2 Ų169.280%0.80485%0.85SS**  cis-154.8129.6-14.5-109.8164.1-175.7178.50104.9
799R45Very low42.1Very low233 Ų233168.1 Ų168.188%0.87986%0.855SS**  50.3111.579-155-168.2-159.5-173.49.5114.5
800S49.3Very low42.8Very low181 Ų181167 Ų167100%1.26686%0.856SS**  -1200112.5-1700000109.3

Retrieved 800 of 800 residues in 170.2 ms (Link to these results)