A0A077ZBP5_TRITR Loading...

Lipocalin domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low34.9Very low231 Ų231165.6 Ų165.6100%1.13882%0.824SS**  0125.30-75.1165.377.300107.4
2I37.1Very low34.3Very low155 Ų155166.5 Ų166.580%0.79583%0.832SS**  trans67.886.5173.8-51.1161000113.4
3S31.8Very low33.9Very low91 Ų91161.4 Ų161.464%0.63683%0.832SS**  6696.472.1-169.20000114.5Q5S3-Q5 VanDerWaalsContact C-N 3.29Å; S3-Q5 PolarHBondContact O-N 3.02Å
4Q33.4Very low33.8Very low190 Ų190156.2 Ų156.289%0.88883%0.825SS**SBendtrans-72.770.9174.7-82.3-166.3-27.800112.1
5Q38.3Very low33.7Very low169 Ų169159 Ų15979%0.7983%0.828SS**  trans-10420.7166.1-88.4-152.5-3600113.4S3S3-Q5 VanDerWaalsContact C-N 3.29Å; S3-Q5 PolarHBondContact O-N 3.02Å
6Q41.2Very low33.6Very low163 Ų163153.8 Ų153.876%0.76282%0.815SS**  trans-112.714.1-168.2-98.6168.7-38.900117.1
7W34.3Very low33.5Very low222 Ų222157.3 Ų157.384%0.84182%0.822SS**SBendtrans-107.67.9177.4-88.393.8000115.5
8V32.6Very low33.4Very low134 Ų134153 Ų15381%0.81282%0.823SS**SBendtrans-88.33.6-173.6177.60000114.5
9I36Very low33.6Very low156 Ų156152.4 Ų152.480%0.883%0.825SS**SBendtrans-109.5-3.9-165.4-65.6177.5000115.8
10C32.1Very low33.8Very low102 Ų102150.9 Ų150.969%0.68982%0.823SS**SBendtrans-104.44.6-166.8-73.20000119.2
11F31.7Very low33.9Very low209 Ų209149.2 Ų149.292%0.91782%0.822SS**SBendtrans-139.530.3-176-95.1-79.8000117.2
12L28.5Very low33.6Very low176 Ų176147 Ų14792%0.92181%0.809SS**  trans-121.789.9163.8-77.5172.6000110
13A28.4Very low33.6Very low100 Ų100145.3 Ų145.383%0.82681%0.806SS**  trans172.198.4150.500000111.3
14A32.9Very low33.7Very low89 Ų89148.1 Ų148.174%0.73681%0.812SS**  trans-17297.7140.900000109.4
15F32.1Very low33.7Very low198 Ų198150 Ų15087%0.86881%0.813SS**  61.894.5110.3-75-76000113.1
16A31.4Very low33.6Very low76 Ų76150.4 Ų150.463%0.62881%0.812SS**  65.7127.875.500000114.9
17F33.3Very low33Very low213 Ų213154.5 Ų154.593%0.93482%0.821SS**  trans96.2124.7163.1-60.8-78.5000120.3
18G30.9Very low32.9Very low80 Ų80154.6 Ų154.683%0.82582%0.821SS**  trans144.7102.5155.400000115.8
19V38.1Very low32.7Very low142 Ų142154 Ų15486%0.86182%0.82SS**  trans-94.9-178.2176.8-141.60000110.9
20P36.2Very low32.5Very low121 Ų121158.3 Ų158.379%0.78683%0.826SS**  -116.3173-121.338.9-18.3000115
21S35.9Very low32.3Very low116 Ų116165 Ų16581%0.81184%0.837SS**  trans-150.6138.7155.880.30000113.2
22E30.3Very low32.3Very low185 Ų185159.6 Ų159.686%0.86483%0.83SS**  trans-61.1145.3177.2-60.3-171.9143.300114.1
23T36.8Very low32.4Very low119 Ų119157.2 Ų157.273%0.7383%0.826SS**  trans-168.1114.3139.97.10000112.4
24I34.2Very low32.5Very low150 Ų150157.1 Ų157.177%0.76982%0.819SS**  trans32.2111136.7-52.6172.2000117
25Y33Very low32.2Very low229 Ų229160 Ų16090%0.89882%0.822SS**  trans-134.4127.3155-101.2-84.8000114.6
26K35.9Very low32.2Very low179 Ų179157.3 Ų157.378%0.77882%0.822SS**  trans-60.8144.1174.3-79.4169.2169172.10112.6
27R27.9Very low32.1Very low249 Ų249159.4 Ų159.494%0.9483%0.832SS**  trans-61.2120.6170.9-154.8179.9-143-1764.9111.4
28W32.4Very low31.9Very low223 Ų223151.5 Ų151.585%0.84581%0.806SS**  trans-133.1139.4161.7-88.764.6000108.8R30W28-R30 PolarHBondContact O-N 3.08Å
29P28.6Very low32Very low122 Ų122152.8 Ų152.879%0.79280%0.799SS**PPolyproline II helixtrans-81.3120.4-175.832.3-29.9000109.8
30R31.4Very low31.5Very low247 Ų247153 Ų15393%0.93280%0.795SS**PPolyproline II helixtrans-98.1122.9170.3-72.6-165.1-139.3-169.66.2110.7W28W28-R30 PolarHBondContact O-N 3.08Å
31R29.5Very low31.1Very low243 Ų243155.1 Ų155.192%0.91779%0.792SS**PPolyproline II helixtrans-53.7137.5162.4-64.8172.5-162.3169.74.5109.5
32A30.6Very low30.9Very low94 Ų94152.3 Ų152.378%0.77778%0.776SS**PPolyproline II helixtrans-72.3135.5170.900000110
33P30.3Very low30.9Very low127 Ų127146.4 Ų146.483%0.82576%0.755SS**PPolyproline II helixtrans-78133.417128.8-24.6000110.1
34S30.5Very low30.7Very low98 Ų98146.8 Ų146.869%0.68575%0.747SS**PPolyproline II helixtrans-70.6155.2167.4510000110.9
35D28.1Very low30.7Very low149 Ų149147.2 Ų147.280%0.79774%0.743SS**  trans78.784.3163-52.1-42.2000118.4
36V30.5Very low31Very low142 Ų142143.6 Ų143.686%0.86173%0.734SS**  trans-136.5100.8145.2-1750000108.9A38V36-A38 PolarHBondContact O-N 3.12Å
37S29.6Very low30.9Very low120 Ų120141 Ų14184%0.83973%0.728SS**  trans-77.8102.8172.942.10000110.2
38A29.4Very low31.2Very low47 Ų47130.8 Ų130.839%0.38869%0.694SS.*  trans-92.4123.2173.500000110.8V36 L40 F41V36-A38 PolarHBondContact O-N 3.12Å; A38-L40 PolarHBondContact O-N 3.14Å; A38-L40 VanDerWaalsContact O-N 3.16Å; A38-F41 HydrophobicContact CB-CD2 4.34Å; A38-F41 PolarHBondContact O-N 3.3Å
39P33.7Very low31.4Very low106 Ų106122.3 Ų122.369%0.68867%0.671SS**Hα-helixtrans-63.5-23.9-172.421.8-31.6000114.3F41 A42 S43P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.96Å; P39-A42 PolarHBondContact O-N 2.67Å; P39-S43 PolarHBondContact O-N 3.45Å; P39-S43 PolarHBondContact O-OG 3.38Å
40L27.5Very low31.8Very low147 Ų147120.2 Ų120.277%0.7766%0.658SS**Hα-helixtrans-64.8-32176.9-95.2153.3000113.7A38 F44A38-L40 PolarHBondContact O-N 3.14Å; A38-L40 VanDerWaalsContact O-N 3.16Å; L40-F44 PolarHBondContact O-N 2.84Å
41F27.9Very low32Very low166 Ų166114.3 Ų114.373%0.72864%0.644SS**Hα-helixtrans-78.8-27.6177.8-83-83.8000112.5A38 P39 K45A38-F41 HydrophobicContact CB-CD2 4.34Å; A38-F41 PolarHBondContact O-N 3.3Å; P39-F41 VanDerWaalsContact C-N 3.33Å; P39-F41 PolarHBondContact O-N 2.96Å; F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.21Å; F41-K45 PolarHBondContact O-N 3.09Å
42A30.9Very low32.2Very low57 Ų57106.1 Ų106.147%0.47162%0.618SS.*Hα-helixtrans-67.4-46.3175.400000111P39 F44 K45 E46P39-A42 PolarHBondContact O-N 2.67Å; A42-F44 PolarHBondContact O-N 3.15Å; A42-K45 PolarHBondContact O-N 3.34Å; A42-E46 PolarHBondContact O-N 3.15Å
43S31.3Very low32.5Very low60 Ų60108.6 Ų108.642%0.4261%0.613SS.*Hα-helixtrans-65.1-39178.9-43.60000112.6P39 E46 L47P39-S43 PolarHBondContact O-N 3.45Å; P39-S43 PolarHBondContact O-OG 3.38Å; S43-E46 PolarHBondContact O-N 2.96Å; S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 3.31Å
44F31.4Very low33Very low128 Ų128105.8 Ų105.856%0.56160%0.596SS**Hα-helixtrans-68.1-38.3176.8-161.8-96.7000111.7L40 A42 L47 T48L40-F44 PolarHBondContact O-N 2.84Å; A42-F44 PolarHBondContact O-N 3.15Å; F44-L47 PolarHBondContact O-N 2.84Å; F44-T48 HydrophobicContact CD1-CG2 4.08Å; F44-T48 HydrophobicContact CE1-CG2 3.77Å; F44-T48 HydrophobicContact CZ-CG2 4.03Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 WeakPolarHBondContact O-CG2 3.47Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.4Å
45K33.9Very low33.4Very low159 Ų159104 Ų10469%0.69159%0.587SS**Hα-helixtrans-67.3-38.5176-160.6176.1-175-176.70111.5F41 A42 A49F41-K45 VanDerWaalsContact O-CB 3.25Å; F41-K45 WeakPolarHBondContact O-CB 3.21Å; F41-K45 PolarHBondContact O-N 3.09Å; A42-K45 PolarHBondContact O-N 3.34Å; K45-A49 WeakPolarHBondContact O-CB 2.88Å; K45-A49 PolarHBondContact O-N 3.21Å
46E40.2Very low33.8Very low152 Ų15298.8 Ų98.871%0.7157%0.565SS**Hα-helixtrans-65.3-37.8173.4-78.5-177.9163.400113.2A42 S43 P50A42-E46 PolarHBondContact O-N 3.15Å; S43-E46 PolarHBondContact O-N 2.96Å; E46-P50 WeakPolarHBondContact O-CD 3.34Å
47L33Very low34.1Very low125 Ų12594.4 Ų94.465%0.65454%0.541SS*.Hα-helixtrans-73.7-35178.8-89.2154.3000113.5S43 F44S43-L47 WeakPolarHBondContact O-CB 3.45Å; S43-L47 PolarHBondContact O-N 3.31Å; F44-L47 PolarHBondContact O-N 2.84Å
48T34.8Very low34.8Very low35 Ų3591.6 Ų91.622%0.21552%0.519CS..Hα-helixtrans-97.7-25.2-172.856.70000114F44 P50 L51 L52F44-T48 HydrophobicContact CD1-CG2 4.08Å; F44-T48 HydrophobicContact CE1-CG2 3.77Å; F44-T48 HydrophobicContact CZ-CG2 4.03Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 WeakPolarHBondContact O-CG2 3.47Å; F44-T48 PolarHBondContact O-N 2.94Å; F44-T48 PolarHBondContact O-OG1 3.4Å; T48-P50 VanDerWaalsContact C-CD 3.47Å; T48-L51 WeakPolarHBondContact O-CB 3.4Å; T48-L51 PolarHBondContact O-N 2.98Å; T48-L51 VanDerWaalsContact O-N 3.17Å; T48-L52 PolarHBondContact O-N 3.27Å
49A36.2Very low35.2Very low45 Ų4593.4 Ų93.437%0.37252%0.521SS..Hα-helixtrans-56.3-43.6178.500000113.9K45 L51 L52 H53K45-A49 WeakPolarHBondContact O-CB 2.88Å; K45-A49 PolarHBondContact O-N 3.21Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.82Å; A49-L52 PolarHBondContact O-N 3.13Å; A49-H53 WeakPolarHBondContact O-CB 3.44Å; A49-H53 PolarHBondContact O-N 3.06Å
50P37.6Very low35.5Very low78 Ų7895.1 Ų95.151%0.50652%0.518SS..Hα-helixtrans-67.1-34.1178.4-12.524.7000112.5E46 T48 S54E46-P50 WeakPolarHBondContact O-CD 3.34Å; T48-P50 VanDerWaalsContact C-CD 3.47Å; P50-S54 VanDerWaalsContact O-CB 3.28Å; P50-S54 WeakPolarHBondContact O-CB 3.31Å; P50-S54 PolarHBondContact O-N 3.5Å
51L34.9Very low36.3Very low122 Ų12293.1 Ų93.164%0.63951%0.508SS*.Hα-helixtrans-69.3-44.4178.5-76.4163.4000111.5T48 A49 S54 A55T48-L51 WeakPolarHBondContact O-CB 3.4Å; T48-L51 PolarHBondContact O-N 2.98Å; T48-L51 VanDerWaalsContact O-N 3.17Å; A49-L51 VanDerWaalsContact C-N 3.33Å; A49-L51 PolarHBondContact O-N 2.82Å; L51-S54 PolarHBondContact O-N 3.13Å; L51-A55 WeakPolarHBondContact O-CB 2.97Å; L51-A55 PolarHBondContact O-N 3.25Å
52L34.7Very low36.7Very low71 Ų7192.3 Ų92.337%0.37250%0.5SS..Hα-helixtrans-65.9-41.8174.9-91.1140.9000112T48 A49 A56 L159T48-L52 PolarHBondContact O-N 3.27Å; A49-L52 PolarHBondContact O-N 3.13Å; L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 2.8Å; L52-L159 HydrophobicContact CD2-CD2 3.73Å
53H35.7Very low37Very low146 Ų14693.6 Ų93.668%0.67650%0.499SS*.Hα-helixtrans-65-39.2175.9-118.3-76.3000112.2A49 S57A49-H53 WeakPolarHBondContact O-CB 3.44Å; A49-H53 PolarHBondContact O-N 3.06Å; H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.8Å; H53-S57 PolarHBondContact O-OG 2.99Å
54S41.7Very low37.2Very low68 Ų6893.6 Ų93.648%0.47651%0.508SS..Hα-helixtrans-69.1-44.9177.6-178.40000111.6P50 L51 S57 T58P50-S54 VanDerWaalsContact O-CB 3.28Å; P50-S54 WeakPolarHBondContact O-CB 3.31Å; P50-S54 PolarHBondContact O-N 3.5Å; L51-S54 PolarHBondContact O-N 3.13Å; S54-S57 WeakPolarHBondContact CA-OG 3.46Å; S54-S57 PolarHBondContact O-OG 3.47Å; S54-S57 VanDerWaalsContact O-OG 3.08Å; S54-T58 VanDerWaalsContact O-CB 3.29Å; S54-T58 WeakPolarHBondContact O-CB 3.47Å; S54-T58 PolarHBondContact O-N 3.49Å; S54-T58 PolarHBondContact O-OG1 3.09Å
55A37.8Very low37.5Very low60 Ų6094.5 Ų94.550%0.49652%0.519SS..Hα-helixtrans-62.5-46.5176.300000111.6L51 T58 L59L51-A55 WeakPolarHBondContact O-CB 2.97Å; L51-A55 PolarHBondContact O-N 3.25Å; A55-T58 PolarHBondContact O-N 2.75Å; A55-L59 VanDerWaalsContact O-CB 3.32Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 2.87Å
56A36.3Very low37.6Very low40 Ų4089.6 Ų89.633%0.33151%0.505SS..Hα-helixtrans-63.3-49.4177.900000112.1L52 T58 L59 F60L52-A56 WeakPolarHBondContact O-CB 3.41Å; L52-A56 PolarHBondContact O-N 2.8Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 3.21Å; A56-L59 VanDerWaalsContact O-N 3.14Å; A56-F60 HydrophobicContact CB-CD2 4.31Å; A56-F60 HydrophobicContact CB-CE2 4.23Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 PolarHBondContact O-N 3.03Å
57S38.5Very low37.2Very low50 Ų5091.7 Ų91.735%0.3552%0.515SS..Hα-helixtrans-64-35.7178.756.10000112.9H53 S54 L59 N61H53-S57 VanDerWaalsContact O-CB 3.24Å; H53-S57 WeakPolarHBondContact O-CB 3.48Å; H53-S57 PolarHBondContact O-N 2.8Å; H53-S57 PolarHBondContact O-OG 2.99Å; S54-S57 WeakPolarHBondContact CA-OG 3.46Å; S54-S57 PolarHBondContact O-OG 3.47Å; S54-S57 VanDerWaalsContact O-OG 3.08Å; S57-L59 VanDerWaalsContact C-N 3.32Å; S57-N61 WeakPolarHBondContact O-CB 3.19Å; S57-N61 PolarHBondContact O-N 2.96Å; S57-N61 PolarHBondContact O-ND2 2.83Å
58T42.5Very low37.4Very low62 Ų6291.4 Ų91.438%0.3851%0.514SS..Hα-helixtrans-65.9-38.1174-52.70000111.2S54 A55 A56 R62S54-T58 VanDerWaalsContact O-CB 3.29Å; S54-T58 WeakPolarHBondContact O-CB 3.47Å; S54-T58 PolarHBondContact O-N 3.49Å; S54-T58 PolarHBondContact O-OG1 3.09Å; A55-T58 PolarHBondContact O-N 2.75Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.89Å; T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.49Å; T58-R62 VanDerWaalsContact O-N 3.09Å
59L38.3Very low37.2Very low84 Ų8496.1 Ų96.144%0.4455%0.545SS..Hα-helixtrans-71.6-42.6178.4-150.5138.7000111.4A55 A56 S57 R62 L63A55-L59 VanDerWaalsContact O-CB 3.32Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 PolarHBondContact O-N 2.87Å; A56-L59 PolarHBondContact O-N 3.21Å; A56-L59 VanDerWaalsContact O-N 3.14Å; S57-L59 VanDerWaalsContact C-N 3.32Å; L59-R62 PolarHBondContact O-N 2.88Å; L59-L63 HydrophobicContact CD2-CD1 3.83Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.82Å
60F40.3Very low37.1Very low142 Ų14298.3 Ų98.362%0.62356%0.557SS**Hα-helixtrans-66.8-42.5174.7-75.6-63.5000113A56 R62 L63 G64A56-F60 HydrophobicContact CB-CD2 4.31Å; A56-F60 HydrophobicContact CB-CE2 4.23Å; A56-F60 WeakPolarHBondContact O-CD2 3.48Å; A56-F60 PolarHBondContact O-N 3.03Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.25Å; F60-L63 PolarHBondContact O-N 3.01Å; F60-G64 PolarHBondContact O-N 3.46Å
61N45.1Very low36.9Very low105 Ų105100.8 Ų100.856%0.56157%0.567SS**Hα-helixtrans-65.8-34.4176.3-74.1-21.6000112.2S57 L63 G64 N65S57-N61 WeakPolarHBondContact O-CB 3.19Å; S57-N61 PolarHBondContact O-N 2.96Å; S57-N61 PolarHBondContact O-ND2 2.83Å; N61-L63 VanDerWaalsContact C-N 3.34Å; N61-G64 PolarHBondContact O-N 3.44Å; N61-N65 PolarHBondContact O-N 3.36Å
62R36.3Very low36.5Very low150 Ų150102.8 Ų102.857%0.56658%0.578SS**Hα-helixtrans-70.9-28.9173.8-77.8177.5179.1-161.7-0.9113.1T58 L59 F60T58-R62 WeakPolarHBondContact O-CB 3.32Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.49Å; T58-R62 VanDerWaalsContact O-N 3.09Å; L59-R62 PolarHBondContact O-N 2.88Å; F60-R62 VanDerWaalsContact C-N 3.32Å; F60-R62 PolarHBondContact O-N 3.25Å
63L35.8Very low36.5Very low84 Ų84106 Ų10644%0.4459%0.594SS.*Hα-helixtrans-77.8-32.3174.1-72.9165.3000112.2L59 F60 N61 L190L59-L63 HydrophobicContact CD2-CD1 3.83Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.82Å; F60-L63 PolarHBondContact O-N 3.01Å; N61-L63 VanDerWaalsContact C-N 3.34Å; L63-L190 HydrophobicContact CD2-CD1 4.43Å
64G35.9Very low36.1Very low60 Ų60108.8 Ų108.862%0.61960%0.604SS**Hα-helixtrans-83.9-23.2-175.500000117F60 N61F60-G64 PolarHBondContact O-N 3.46Å; N61-G64 PolarHBondContact O-N 3.44Å
65N38.6Very low35.4Very low146 Ų146110.4 Ų110.478%0.78162%0.622SS**  trans-96.518-170.6-82.4-4.8000116N61 Q67N61-N65 PolarHBondContact O-N 3.36Å; N65-Q67 PolarHBondContact O-N 3.12Å
66S35.9Very low34.9Very low56 Ų56111.2 Ų111.239%0.39264%0.636SS.*  trans-98.782178-173.60000111.1D68 R193S66-D68 PolarHBondContact O-N 2.98Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-R193 PolarHBondContact OG-NH2 3.41Å
67Q32.3Very low34.6Very low197 Ų197114.3 Ų114.392%0.92166%0.662SS**  trans-71.193.7163-86.5177.2-42.400109.5N65N65-Q67 PolarHBondContact O-N 3.12Å
68D36Very low34.1Very low118 Ų118118.4 Ų118.463%0.63169%0.685SS**  trans-101125.4152.2-101-36.6000107.3S66 S70S66-D68 PolarHBondContact O-N 2.98Å; S66-D68 VanDerWaalsContact O-N 3.11Å; D68-S70 PolarHBondContact O-N 3.4Å
69P30Very low33.4Very low134 Ų134120.3 Ų120.387%0.8770%0.701SS**THydrogen-bonded Turntrans-76.732.4-168.430.9-35.2000114.7
70S34Very low33Very low91 Ų91125.2 Ų125.264%0.63673%0.726SS**THydrogen-bonded Turntrans-125.61-175.460.70000117.1D68D68-S70 PolarHBondContact O-N 3.4Å
71N34.7Very low32.3Very low131 Ų131122 Ų12270%0.70173%0.733SS**  trans-14791.6176.3-76.8-52.8000112.9I73N71-I73 PolarHBondContact O-N 3.02Å
72N26.7Very low31.4Very low163 Ų163120.8 Ų120.887%0.87275%0.745SS**  trans-74.8101.6171.2-77.5-19.4000110.5
73I33.2Very low31.1Very low138 Ų138123.4 Ų123.471%0.70876%0.764SS**  trans-123.8-10.3171.8-62.3-179000112.9N71N71-I73 PolarHBondContact O-N 3.02Å
74F29Very low30.7Very low205 Ų205128.7 Ų128.790%0.89978%0.784SS**  trans-138.575.7177.2-86.3-87.6000111.9
75A26.5Very low30.7Very low102 Ų102131.2 Ų131.284%0.84379%0.789SS**  trans-103.4100.4163.200000107.8
76G26.2Very low30.6Very low77 Ų77130.3 Ų130.379%0.79479%0.791SS**  trans161.767177.400000114.6
77A30.1Very low30.6Very low105 Ų105133.7 Ų133.787%0.86881%0.809SS**  trans-169.3110.815100000109.6
78T28.7Very low30.9Very low136 Ų136128.7 Ų128.783%0.83479%0.789SS**  trans-86.1139.6-173.2-12.20000112.1
79S27.6Very low30.9Very low103 Ų103128 Ų12872%0.7279%0.791SS**  trans41.5122.6146.567.40000121.8
80L30.2Very low31.1Very low186 Ų186128.3 Ų128.397%0.97478%0.779SS**  trans-157.9128.3134.2-104.3145.2000109.7
81G25.9Very low31.2Very low75 Ų75127.1 Ų127.177%0.77377%0.77SS**  trans-92.8170-163.500000116.7
82G25.1Very low31.2Very low79 Ų79124.7 Ų124.781%0.81476%0.763SS**  trans40.7103152.800000119.9
83Q29.8Very low31.5Very low205 Ų205121.2 Ų121.296%0.95874%0.744SS**  trans-154.8143.2147.1-110.7169.710.200112.4
84K29.1Very low31.6Very low195 Ų195119.9 Ų119.985%0.84874%0.738SS**PPolyproline II helixtrans-50.5151-174.5-160.9172-177.5179.80114.1
85P34.5Very low31.8Very low113 Ų113114.8 Ų114.873%0.73472%0.72SS**PPolyproline II helixtrans-63.2138.7-175.825.9-34.7000111.9
86P36.6Very low32.2Very low127 Ų127120.3 Ų120.383%0.82572%0.719SS**PPolyproline II helixtrans-79.3139.5-177.331.7-31.8000111.4
87V35.9Very low32.6Very low127 Ų127123 Ų12377%0.7771%0.713SS**PPolyproline II helixtrans-63.1145.9171.9179.90000109.9P89V87-P89 WeakPolarHBondContact O-CD 3.43Å
88D38.3Very low32.6Very low93 Ų93121 Ų12150%0.49770%0.704SS.*PPolyproline II helixtrans-67.8122.1-174.977.4-34.9000112.2F90 S91D88-F90 PolarHBondContact O-N 2.03Å; D88-F90 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 3.03Å; D88-S91 VanDerWaalsContact O-OG 3.1Å; D88-S91 VanDerWaalsContact OD1-CB 3.3Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.89Å
89P35.8Very low32.8Very low103 Ų103121.9 Ų121.967%0.66970%0.696SS**THydrogen-bonded Turntrans-740.917928.4-32.8000113.2V87V87-P89 WeakPolarHBondContact O-CD 3.43Å
90F34.5Very low32.8Very low141 Ų141120.8 Ų120.862%0.61870%0.701SS**THydrogen-bonded Turntrans-93.6-20.3-176.3-83.4-87.2000114D88 S92 L93 I94D88-F90 PolarHBondContact O-N 2.03Å; D88-F90 VanDerWaalsContact O-N 3.1Å; F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.09Å; F90-L93 PolarHBondContact O-N 3.35Å; F90-I94 PolarHBondContact O-N 3.11Å
91S36.6Very low32.8Very low65 Ų65115.2 Ų115.246%0.45569%0.688SS.*Hα-helixtrans-66.1-34.8179.150.30000112.8D88D88-S91 PolarHBondContact O-OG 3.03Å; D88-S91 VanDerWaalsContact O-OG 3.1Å; D88-S91 VanDerWaalsContact OD1-CB 3.3Å; D88-S91 WeakPolarHBondContact OD1-CB 3.29Å; D88-S91 PolarHBondContact OD1-OG 2.89Å
92S35.9Very low32.7Very low80 Ų80117.3 Ų117.356%0.55969%0.691SS**Hα-helixtrans-76.9-22.2178.565.60000114.2F90F90-S92 VanDerWaalsContact C-N 3.35Å; F90-S92 PolarHBondContact O-N 3.09Å
93L32.9Very low32.9Very low90 Ų90124.2 Ų124.247%0.47169%0.694SS.*Hα-helixtrans-79.3-36.9178.2-159.583.2000111.4F90 R96 I97F90-L93 PolarHBondContact O-N 3.35Å; L93-R96 PolarHBondContact O-N 3.37Å; L93-I97 HydrophobicContact CD2-CD1 4.28Å; L93-I97 HydrophobicContact CG-CD1 4.13Å; L93-I97 WeakPolarHBondContact O-CG1 3.24Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.14Å
94I34.9Very low32.8Very low111 Ų111119.5 Ų119.557%0.56968%0.684SS**Hα-helixtrans-68.9-35.9177.8-67.2-159.9000111.7F90 R96 I97 G98F90-I94 PolarHBondContact O-N 3.11Å; I94-R96 VanDerWaalsContact C-N 3.25Å; I94-R96 PolarHBondContact O-N 2.8Å; I94-I97 PolarHBondContact O-N 2.79Å; I94-G98 PolarHBondContact O-N 2.69Å
95D33.7Very low32.7Very low97 Ų97116.5 Ų116.552%0.51968%0.684SS.*Hα-helixtrans-71.2-22176.5-150.321.2000112.3K99D95-K99 IonicContact OD1-NZ 2.76Å; D95-K99 PolarHBondContact OD1-NZ 2.88Å; D95-K99 IonicContact OD2-NZ 2.73Å
96R33.8Very low32.5Very low219 Ų219114.9 Ų114.983%0.82669%0.688SS**Hα-helixtrans-82.1-29.1172.7-87.4-175.4173.1-170.1-1.3114.2L93 I94L93-R96 PolarHBondContact O-N 3.37Å; I94-R96 VanDerWaalsContact C-N 3.25Å; I94-R96 PolarHBondContact O-N 2.8Å
97I35.4Very low32.2Very low132 Ų132117.6 Ų117.668%0.67769%0.69SS**Hα-helixtrans-90.6-28.6-179.6-63.6168.7000111.1L93 I94L93-I97 HydrophobicContact CD2-CD1 4.28Å; L93-I97 HydrophobicContact CG-CD1 4.13Å; L93-I97 WeakPolarHBondContact O-CG1 3.24Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-I97 VanDerWaalsContact O-N 3.14Å; I94-I97 PolarHBondContact O-N 2.79Å
98G30.2Very low31.9Very low65 Ų65118 Ų11867%0.6769%0.693SS**SBendtrans-80.1-9-177.900000116.2I94I94-G98 PolarHBondContact O-N 2.69Å
99K31.7Very low31.5Very low154 Ų154116.5 Ų116.567%0.6769%0.689SS**SBendtrans-124.383.3-177.9-73.9176-177.1145.10111D95D95-K99 IonicContact OD1-NZ 2.76Å; D95-K99 PolarHBondContact OD1-NZ 2.88Å; D95-K99 IonicContact OD2-NZ 2.73Å
100G29Very low31.3Very low79 Ų79119 Ų11981%0.81470%0.696SS**  trans16899.1167.500000116.3
101G28.6Very low31.1Very low69 Ų69119.4 Ų119.471%0.71170%0.698SS**  trans9792.6134.200000118.2
102S24.7Very low31Very low119 Ų119121.5 Ų121.583%0.83270%0.704SS**  trans-52.8127.8158.6178.10000112.4
103Y29.1Very low30.7Very low224 Ų224119.5 Ų119.588%0.87870%0.696SS**  trans-145.9144.3164-85.9-76.6000114
104S27.2Very low30.6Very low107 Ų107121.6 Ų121.675%0.74871%0.707SS**  trans-71.2164.4-165.5-95.80000117.2
105P27.1Very low30.4Very low132 Ų132121.3 Ų121.386%0.85771%0.71SS**SBendtrans-74.5126.3-17230.7-33000111.8
106G31.4Very low30.5Very low78 Ų78119.8 Ų119.880%0.80471%0.707SS**  trans155-2.9173.600000117.3
107Q29.9Very low30.5Very low185 Ų185113.1 Ų113.186%0.86471%0.706SS**  trans-104.2112.6179.1-80178.8-11.300111.9S109Q107-S109 PolarHBondContact O-N 2.83Å
108T29.9Very low30.4Very low136 Ų136114.9 Ų114.983%0.83471%0.709SS**  trans-53.2127.9166.940.40000110.3
109S29.2Very low30.6Very low61 Ų61117.6 Ų117.643%0.42771%0.708SS.*  trans-67.3137.8-174.583.70000111Q107 F111 D112Q107-S109 PolarHBondContact O-N 2.83Å; S109-F111 PolarHBondContact O-N 3.23Å; S109-D112 PolarHBondContact O-N 3.01Å; S109-D112 VanDerWaalsContact O-N 3.17Å; S109-D112 PolarHBondContact OG-OD2 3.47Å
110L30.8Very low30.6Very low154 Ų154116.4 Ų116.481%0.80672%0.716SS**THydrogen-bonded Turntrans-59.4-6178.4-159.8112000113.5
111F31.3Very low31Very low151 Ų151116.9 Ų116.966%0.66272%0.72SS**THydrogen-bonded Turntrans-97-13.6-178.3-70.5-77.8000114.2S109 G113 L114S109-F111 PolarHBondContact O-N 3.23Å; F111-G113 VanDerWaalsContact C-N 3.26Å; F111-G113 PolarHBondContact O-N 3.33Å; F111-L114 HydrophobicContact CD1-CD1 4.04Å; F111-L114 HydrophobicContact CE1-CD1 4.44Å; F111-L114 PolarHBondContact O-N 3.09Å
112D33.7Very low31.2Very low109 Ų109118 Ų11858%0.58371%0.713SS**THydrogen-bonded Turntrans-72.5-19.1178.7-70.3-49.8000112.9S109S109-D112 PolarHBondContact O-N 3.01Å; S109-D112 VanDerWaalsContact O-N 3.17Å; S109-D112 PolarHBondContact OG-OD2 3.47Å
113G30.6Very low31.6Very low37 Ų37116.1 Ų116.138%0.38171%0.705SS.*THydrogen-bonded Turntrans-86-15.4177.400000115.5F111F111-G113 VanDerWaalsContact C-N 3.26Å; F111-G113 PolarHBondContact O-N 3.33Å
114L30.3Very low31.8Very low134 Ų134111.5 Ų111.570%0.70270%0.702SS**SBendtrans-84.7-15.5-174.2-81161.9000113.6F111F111-L114 HydrophobicContact CD1-CD1 4.04Å; F111-L114 HydrophobicContact CE1-CD1 4.44Å; F111-L114 PolarHBondContact O-N 3.09Å
115T31Very low32Very low106 Ų106113 Ų11365%0.6570%0.701SS**SBendtrans-102.9-7.9-175.560.10000114.1
116S35.6Very low32.1Very low64 Ų64112.2 Ų112.245%0.44870%0.696SS.*SBendtrans-105.7-4.8-173.568.90000114.8K118S116-K118 PolarHBondContact O-N 2.86Å
117G33.5Very low32.1Very low79 Ų79114.5 Ų114.581%0.81469%0.694SS**SBendtrans59.111.5-179.300000114.4
118K33.7Very low32.2Very low170 Ų170110.8 Ų110.874%0.73969%0.685SS**  trans-115.578.2-175.5-75.1-179.8178.4-178.70109.1S116 P120S116-K118 PolarHBondContact O-N 2.86Å; K118-P120 WeakPolarHBondContact O-CD 3.36Å
119L35.4Very low32.3Very low121 Ų121108 Ų10863%0.63468%0.683SS**  trans-81117.5163.6-81.8160.9000108.3G121 V122L119-G121 PolarHBondContact O-N 2.81Å; L119-V122 HydrophobicContact CB-CB 4.45Å; L119-V122 HydrophobicContact CB-CG2 4.19Å
120P30.9Very low32.4Very low130 Ų130113.9 Ų113.984%0.84470%0.702SS**THydrogen-bonded Turntrans-62.2127.9174.6-13.627.3000109.3K118K118-P120 WeakPolarHBondContact O-CD 3.36Å
121G37.7Very low32.4Very low88 Ų88110.8 Ų110.891%0.90769%0.691SS**THydrogen-bonded Turntrans94.15.2175.900000116.3L119L119-G121 PolarHBondContact O-N 2.81Å
122V31.6Very low32.5Very low93 Ų93105.1 Ų105.156%0.56468%0.675SS**  trans-117.3121.3173.8-171.80000109L119L119-V122 HydrophobicContact CB-CB 4.45Å; L119-V122 HydrophobicContact CB-CG2 4.19Å
123A32.9Very low32.9Very low80 Ų80105.9 Ų105.966%0.66169%0.686SS**PPolyproline II helixtrans-58.1143.9174.800000110.2I125A123-I125 PolarHBondContact O-N 2.76Å
124P33.6Very low33.4Very low126 Ų126113 Ų11382%0.81871%0.709SS**PPolyproline II helixtrans-57.2118.6177.4-18.129.2000109.6P126P124-P126 WeakPolarHBondContact O-CD 3.28Å
125I31.6Very low33.9Very low140 Ų140111.7 Ų111.772%0.71870%0.703SS**PPolyproline II helixtrans-67.5122.2172-59.4172.7000106.4A123 V127A123-I125 PolarHBondContact O-N 2.76Å; I125-V127 PolarHBondContact O-N 2.94Å; I125-V127 VanDerWaalsContact O-N 3.09Å
126P28.7Very low34.2Very low115 Ų115112.6 Ų112.675%0.74770%0.702SS**  trans-64.8114.5174.2-518.1000107.6P124 P128P124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-P128 WeakPolarHBondContact O-CD 3.43Å
127V33.4Very low34.3Very low126 Ų126114.7 Ų114.776%0.76472%0.715SS**PPolyproline II helixtrans-76.4118.9171.4-1560000106.6I125 G129I125-V127 PolarHBondContact O-N 2.94Å; I125-V127 VanDerWaalsContact O-N 3.09Å; V127-G129 PolarHBondContact O-N 2.89Å
128P31.6Very low34.6Very low106 Ų106115.9 Ų115.969%0.68871%0.711SS**PPolyproline II helixtrans-58129.3172.7-20.933000109.1P126 F130P126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-F130 PolarHBondContact O-N 2.74Å; P128-F130 VanDerWaalsContact O-N 3.13Å
129G30.9Very low34.9Very low77 Ų77113 Ų11379%0.79470%0.702SS**PPolyproline II helixtrans-56.2119.1172.900000109.2V127V127-G129 PolarHBondContact O-N 2.89Å
130F30.8Very low34.7Very low186 Ų186113.3 Ų113.382%0.81671%0.711SS**PPolyproline II helixtrans-66.7132.9173.1-95.5-92.2000108.8P128 G132P128-F130 PolarHBondContact O-N 2.74Å; P128-F130 VanDerWaalsContact O-N 3.13Å; F130-G132 PolarHBondContact O-N 3.43Å
131P32.1Very low35Very low89 Ų89110.3 Ų110.358%0.57870%0.704SS**PPolyproline II helixtrans-56.5129.5175.718.2-26.9000109.6D135P131-D135 WeakPolarHBondContact CA-OD2 3Å; P131-D135 HydrophobicContact CB-CB 3.6Å; P131-D135 WeakPolarHBondContact CB-OD2 3.45Å
132G32.6Very low35.2Very low32 Ų32109.6 Ų109.633%0.3368%0.682SS.*PPolyproline II helixtrans-69.9170.7175.900000110.5F130 Q134 D135F130-G132 PolarHBondContact O-N 3.43Å; G132-Q134 PolarHBondContact O-N 2.86Å; G132-D135 PolarHBondContact N-OD2 2.94Å; G132-D135 VanDerWaalsContact N-OD2 3.13Å; G132-D135 PolarHBondContact O-N 3.24Å
133P43.3Very low35.4Very low124 Ų124109.8 Ų109.881%0.80568%0.68SS**THydrogen-bonded Turntrans-56.5-7.3176.8-22.532.1000114.9
134Q40.2Very low35.7Very low186 Ų186111.7 Ų111.787%0.86968%0.683SS**THydrogen-bonded Turntrans-89.5-11.2-179.9-51.2-163.116.200113.4G132G132-Q134 PolarHBondContact O-N 2.86Å
135D40.1Very low35.8Very low108 Ų108110 Ų11058%0.57867%0.666SS**SBendtrans-100.27.5-173.6-62.4-41.6000113.8P131 G132P131-D135 WeakPolarHBondContact CA-OD2 3Å; P131-D135 HydrophobicContact CB-CB 3.6Å; P131-D135 WeakPolarHBondContact CB-OD2 3.45Å; G132-D135 PolarHBondContact N-OD2 2.94Å; G132-D135 VanDerWaalsContact N-OD2 3.13Å; G132-D135 PolarHBondContact O-N 3.24Å
136I38.2Very low36.1Very low124 Ų124108.5 Ų108.564%0.63667%0.666SS**SBendtrans-98116.1180-53.6172.4000109.1S138I136-S138 PolarHBondContact O-N 2.77Å; I136-S138 VanDerWaalsContact O-N 3.16Å
137P37.1Very low36.5Very low109 Ų109104.5 Ų104.571%0.70865%0.646SS**  trans-62120.617812.4-15000110.6I139P137-I139 PolarHBondContact O-N 3.31Å
138S40.7Very low36.6Very low104 Ų104102.2 Ų102.273%0.72763%0.629SS**  trans-69.5108.1178.955.30000110.7I136I136-S138 PolarHBondContact O-N 2.77Å; I136-S138 VanDerWaalsContact O-N 3.16Å
139I39.6Very low37.1Very low110 Ų110102.7 Ų102.756%0.56463%0.626SS**  trans-86.5120.4172.2-57.5171.4000108.4P137 G141 V142P137-I139 PolarHBondContact O-N 3.31Å; I139-G141 PolarHBondContact O-N 3.13Å; I139-V142 HydrophobicContact CG2-CG2 4.37Å
140P31.1Very low37.7Very low126 Ų126100 Ų10082%0.81860%0.596SS**THydrogen-bonded Turntrans-63.1123.6178-17.129.5000110.7
141G38.2Very low38.2Very low68 Ų6895.3 Ų95.370%0.70158%0.575SS**THydrogen-bonded Turntrans100.12.3169.200000117.6I139I139-G141 PolarHBondContact O-N 3.13Å
142V41Very low38.6Very low73 Ų7392.9 Ų92.944%0.44256%0.557SS.*THydrogen-bonded Turntrans-120-18.2178.4-169.10000112.9I139 T144I139-V142 HydrophobicContact CG2-CG2 4.37Å; V142-T144 PolarHBondContact O-N 2.83Å
143N36.8Very low39.2Very low96 Ų9695.5 Ų95.551%0.51356%0.558SS.*SBendtrans-95.732-172-66.7-4.8000115.1
144T38.9Very low39.1Very low120 Ų12090.7 Ų90.774%0.73653%0.525SS*.  trans-125.225.7-175.762.40000114.5V142 P146V142-T144 PolarHBondContact O-N 2.83Å; T144-P146 WeakPolarHBondContact O-CD 3.49Å
145I36Very low39.1Very low90 Ų9083.4 Ų83.446%0.46249%0.493SS..  trans-101.1103168.1-55.8179.5000108.5G147 L148I145-G147 PolarHBondContact O-N 3.23Å; I145-G147 VanDerWaalsContact O-N 3.11Å; I145-L148 HydrophobicContact CB-CB 4.26Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 PolarHBondContact O-N 3.05Å
146P37.4Very low39Very low109 Ų10980.3 Ų80.371%0.70849%0.487SS*.THydrogen-bonded Turntrans-58.7118.6173-15.728.7000109T144T144-P146 WeakPolarHBondContact O-CD 3.49Å
147G36.4Very low39.1Very low31 Ų3180.5 Ų80.532%0.3249%0.485SS..THydrogen-bonded Turntrans106.5-7176.500000116.6I145 F151I145-G147 PolarHBondContact O-N 3.23Å; I145-G147 VanDerWaalsContact O-N 3.11Å; G147-F151 PolarHBondContact O-N 3.45Å; G147-F151 VanDerWaalsContact O-N 3.07Å
148L35.2Very low39.2Very low79 Ų7979 Ų7941%0.41447%0.471SS..Hα-helixtrans-73.6-36.8173.9-166.667.6000111.8I145 F151 N152I145-L148 HydrophobicContact CB-CB 4.26Å; I145-L148 HydrophobicContact CG2-CB 4.35Å; I145-L148 PolarHBondContact O-N 3.05Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 2.87Å; L148-N152 PolarHBondContact O-N 2.85Å; L148-N152 VanDerWaalsContact O-N 3.1Å; L148-N152 PolarHBondContact O-ND2 2.86Å
149D42.6Very low38.9Very low116 Ų11676.7 Ų76.762%0.6245%0.45SS*.Hα-helixtrans-68.5-37.7175.1-60.6-31.8000111.6F151 N152 Y153D149-F151 VanDerWaalsContact C-N 3.34Å; D149-F151 PolarHBondContact O-N 2.8Å; D149-N152 PolarHBondContact O-N 2.9Å; D149-Y153 WeakPolarHBondContact O-CB 3.5Å; D149-Y153 PolarHBondContact O-N 2.81Å
150A44.1Very low38.6Very low20 Ų2075.1 Ų75.117%0.16545%0.447CS..Hα-helixtrans-66-35.3173.800000112.1Y153 I154A150-Y153 PolarHBondContact O-N 2.92Å; A150-I154 WeakPolarHBondContact O-CD1 3.47Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 2.92Å
151F39.8Very low39Very low87 Ų8777.9 Ų77.938%0.38245%0.449SS..Hα-helixtrans-64-46.9173.8179.7-98.9000111.4G147 L148 D149 Y153 I154 V155G147-F151 PolarHBondContact O-N 3.45Å; G147-F151 VanDerWaalsContact O-N 3.07Å; L148-F151 WeakPolarHBondContact O-CB 3.48Å; L148-F151 PolarHBondContact O-N 2.87Å; D149-F151 VanDerWaalsContact C-N 3.34Å; D149-F151 PolarHBondContact O-N 2.8Å; F151-Y153 VanDerWaalsContact C-N 3.33Å; F151-Y153 PolarHBondContact O-N 2.97Å; F151-I154 PolarHBondContact O-N 3.46Å; F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.35Å; F151-V155 HydrophobicContact CE1-CG2 4.02Å; F151-V155 HydrophobicContact CE2-CG2 4.07Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.9Å; F151-V155 VanDerWaalsContact O-CB 3.32Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.37Å; F151-V155 PolarHBondContact O-N 3.02Å
152N42.5Very low38.8Very low39 Ų3979.6 Ų79.621%0.20945%0.45CS..Hα-helixtrans-65.4-36.4177.5-73.2-35.6000112.7L148 D149 G156 N167L148-N152 PolarHBondContact O-N 2.85Å; L148-N152 VanDerWaalsContact O-N 3.1Å; L148-N152 PolarHBondContact O-ND2 2.86Å; D149-N152 PolarHBondContact O-N 2.9Å; N152-G156 PolarHBondContact O-N 3.32Å; N152-N167 PolarHBondContact ND2-OD1 2.83Å; N152-N167 PolarHBondContact OD1-OD1 3.12Å
153Y43.3Very low38.6Very low86 Ų8680.2 Ų80.234%0.33745%0.454SS..Hα-helixtrans-64.1-48.7175.9-176.5-94.3000112D149 A150 F151 G156 Q157 D281D149-Y153 WeakPolarHBondContact O-CB 3.5Å; D149-Y153 PolarHBondContact O-N 2.81Å; A150-Y153 PolarHBondContact O-N 2.92Å; F151-Y153 VanDerWaalsContact C-N 3.33Å; F151-Y153 PolarHBondContact O-N 2.97Å; Y153-G156 CarbonylContact O-C 3.57Å; Y153-G156 WeakPolarHBondContact O-CA 3.36Å; Y153-G156 PolarHBondContact O-N 2.84Å; Y153-G156 VanDerWaalsContact O-N 3.16Å; Y153-Q157 HydrophobicContact CD1-CG 4.36Å; Y153-Q157 HydrophobicContact CE1-CG 4.02Å; Y153-Q157 WeakPolarHBondContact O-CG 3.46Å; Y153-Q157 PolarHBondContact O-N 2.84Å; Y153-Q157 PolarHBondContact OH-NE2 2.88Å; Y153-D281 HydrophobicContact CE1-CB 4.04Å; Y153-D281 HydrophobicContact CE2-CB 4.31Å; Y153-D281 VanDerWaalsContact CE2-CG 3.4Å; Y153-D281 WeakPolarHBondContact CE2-OD1 3.34Å; Y153-D281 WeakPolarHBondContact CE2-OD2 3.13Å; Y153-D281 PolarHBondContact OH-OD2 3.49Å
154I41.5Very low38.3Very low23 Ų2381.7 Ų81.712%0.11846%0.461CS..Hα-helixtrans-72.1-36.7-177.6-57162.9000111.3A150 F151 G156 Q157 L158 P284 W307A150-I154 WeakPolarHBondContact O-CD1 3.47Å; A150-I154 WeakPolarHBondContact O-CG1 3.48Å; A150-I154 PolarHBondContact O-N 2.92Å; F151-I154 PolarHBondContact O-N 3.46Å; I154-G156 VanDerWaalsContact C-N 3.25Å; I154-G156 PolarHBondContact O-N 2.96Å; I154-Q157 PolarHBondContact O-N 3.21Å; I154-L158 HydrophobicContact CG2-CD1 3.68Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3.07Å; I154-L158 VanDerWaalsContact O-N 3.09Å; I154-P284 HydrophobicContact CD1-CG 3.38Å; I154-W307 HydrophobicContact CB-CZ2 4.26Å; I154-W307 HydrophobicContact CG2-CH2 4.45Å; I154-W307 HydrophobicContact CG2-CZ2 3.35Å
155V40.3Very low38Very low33 Ų3379.6 Ų79.620%0.245%0.449CS..Hα-helixtrans-62.9-36171.4172.60000110.7F151 L159F151-V155 HydrophobicContact CD1-CG2 4.3Å; F151-V155 HydrophobicContact CD2-CG2 4.35Å; F151-V155 HydrophobicContact CE1-CG2 4.02Å; F151-V155 HydrophobicContact CE2-CG2 4.07Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.9Å; F151-V155 VanDerWaalsContact O-CB 3.32Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.37Å; F151-V155 PolarHBondContact O-N 3.02Å; V155-L159 HydrophobicContact CG1-CD1 3.86Å; V155-L159 PolarHBondContact O-N 3.24Å
156G37.7Very low38.1Very low43 Ų4377.8 Ų77.844%0.44344%0.442SS..Hα-helixtrans-71-27.1174.500000114.8N152 Y153 I154N152-G156 PolarHBondContact O-N 3.32Å; Y153-G156 CarbonylContact O-C 3.57Å; Y153-G156 WeakPolarHBondContact O-CA 3.36Å; Y153-G156 PolarHBondContact O-N 2.84Å; Y153-G156 VanDerWaalsContact O-N 3.16Å; I154-G156 VanDerWaalsContact C-N 3.25Å; I154-G156 PolarHBondContact O-N 2.96Å
157Q41.4Very low38.1Very low128 Ų12877 Ų7760%0.59843%0.432SS*.Hα-helixtrans-84.2-26.5176.8-74.1-163-26.800114Y153 I154Y153-Q157 HydrophobicContact CD1-CG 4.36Å; Y153-Q157 HydrophobicContact CE1-CG 4.02Å; Y153-Q157 WeakPolarHBondContact O-CG 3.46Å; Y153-Q157 PolarHBondContact O-N 2.84Å; Y153-Q157 PolarHBondContact OH-NE2 2.88Å; I154-Q157 PolarHBondContact O-N 3.21Å
158L39.8Very low38.2Very low77 Ų7783.3 Ų83.340%0.40345%0.453SS..Hα-helixtrans-91.8-9.8-178.4-69.8165000113.8I154 W307 V308I154-L158 HydrophobicContact CG2-CD1 3.68Å; I154-L158 HydrophobicContact CG2-CG 4.38Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 3.07Å; I154-L158 VanDerWaalsContact O-N 3.09Å; L158-W307 HydrophobicContact CD1-CH2 3.27Å; L158-W307 HydrophobicContact CD1-CZ2 3.46Å; L158-W307 VanDerWaalsContact CD1-CZ2 3.46Å; L158-W307 HydrophobicContact CD1-CZ3 4.18Å; L158-V308 HydrophobicContact CD1-CG1 3.48Å; L158-V308 VanDerWaalsContact CD1-CG1 3.48Å; L158-V308 HydrophobicContact CD2-CG1 4.09Å; L158-V308 HydrophobicContact CG-CG1 4.45Å
159L33.8Very low38.2Very low56 Ų5685.3 Ų85.329%0.29346%0.463SS..SBendtrans-114.3113.7177.5-67.5170.7000109.4L52 V155 Q161 V163L52-L159 HydrophobicContact CD2-CD2 3.73Å; V155-L159 HydrophobicContact CG1-CD1 3.86Å; V155-L159 PolarHBondContact O-N 3.24Å; L159-Q161 PolarHBondContact O-N 2.8Å; L159-V163 HydrophobicContact CD1-CB 4.17Å; L159-V163 HydrophobicContact CD1-CG1 4.45Å; L159-V163 HydrophobicContact CD1-CG2 4.12Å; L159-V163 HydrophobicContact CD2-CG2 4.49Å
160P33Very low38Very low77 Ų7784 Ų8450%0.546%0.456SS..  trans-63.4101.6171.625.3-30.6000109.4S162P160-S162 WeakPolarHBondContact O-CB 3.44Å; P160-S162 PolarHBondContact O-N 2.83Å; P160-S162 PolarHBondContact O-OG 2.88Å
161Q39.1Very low37.4Very low185 Ų18586.7 Ų86.786%0.86449%0.486SS*.SBendtrans34.323.6152-61.4-69.2-3000119L159L159-Q161 PolarHBondContact O-N 2.8Å
162S33.7Very low37.2Very low103 Ų10385.6 Ų85.672%0.7250%0.499SS*.  trans-124.9-3-17756.10000113.1P160P160-S162 WeakPolarHBondContact O-CB 3.44Å; P160-S162 PolarHBondContact O-N 2.83Å; P160-S162 PolarHBondContact O-OG 2.88Å
163V37Very low37Very low86 Ų8687.3 Ų87.352%0.52151%0.511SS..SBendtrans-109.6111.7170.8-173.80000106.5L159L159-V163 HydrophobicContact CD1-CB 4.17Å; L159-V163 HydrophobicContact CD1-CG1 4.45Å; L159-V163 HydrophobicContact CD1-CG2 4.12Å; L159-V163 HydrophobicContact CD2-CG2 4.49Å
164L31.3Very low36.9Very low128 Ų12885.9 Ų85.967%0.6751%0.511SS*.  trans-44.2136.9175.8-79.6128.2000110.1V166L164-V166 PolarHBondContact O-N 3.1Å
165P32.9Very low36.8Very low75 Ų7591 Ų9149%0.48754%0.539SS..  trans-52.8117.5175.820.4-30.7000108.4N167 H168P165-N167 PolarHBondContact O-N 2.86Å; P165-H168 PolarHBondContact O-N 2.99Å
166V37.3Very low36.8Very low52 Ų52100.3 Ų100.332%0.31557%0.57SS.*G310 helixtrans-59.2-11.7-176.2-137.90000111.8L164 H168 L169 L170L164-V166 PolarHBondContact O-N 3.1Å; V166-H168 VanDerWaalsContact C-N 3.25Å; V166-H168 PolarHBondContact O-N 3.3Å; V166-L169 PolarHBondContact O-N 3.26Å; V166-L170 HydrophobicContact CB-CD1 3.99Å; V166-L170 HydrophobicContact CG1-CD1 3.34Å; V166-L170 HydrophobicContact CG1-CG 3.88Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 PolarHBondContact O-N 3.2Å
167N36.6Very low37.2Very low93 Ų93103.9 Ų103.950%0.49758%0.578SS.*G310 helixtrans-62-24.6172.7-57.3-1.9000113.4N152 P165N152-N167 PolarHBondContact ND2-OD1 2.83Å; N152-N167 PolarHBondContact OD1-OD1 3.12Å; P165-N167 PolarHBondContact O-N 2.86Å
168H39.7Very low37Very low164 Ų164101.7 Ų101.776%0.75957%0.567SS**G310 helixtrans-92-8.3175.3-80.8-75.6000114.5P165 V166P165-H168 PolarHBondContact O-N 2.99Å; V166-H168 VanDerWaalsContact C-N 3.25Å; V166-H168 PolarHBondContact O-N 3.3Å
169L34.3Very low36.9Very low120 Ų120102.3 Ų102.363%0.62858%0.575SS**THydrogen-bonded Turntrans-114.8-13.9-178.1-71.6167.1000113.5V166V166-L169 PolarHBondContact O-N 3.26Å
170L38.7Very low37.5Very low89 Ų89109.5 Ų109.547%0.46660%0.604SS.*SBendtrans-112.2-8.2-177.2-66.7174.8000114.6V166 G172 V174V166-L170 HydrophobicContact CB-CD1 3.99Å; V166-L170 HydrophobicContact CG1-CD1 3.34Å; V166-L170 HydrophobicContact CG1-CG 3.88Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 PolarHBondContact O-N 3.2Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.22Å; L170-V174 HydrophobicContact CB-CG2 3.85Å; L170-V174 HydrophobicContact CD2-CG2 3.81Å; L170-V174 HydrophobicContact CG-CG2 4.36Å; L170-V174 VanDerWaalsContact O-CG2 3.3Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å
171G32.4Very low38.1Very low77 Ų77112.3 Ų112.379%0.79462%0.615SS**THydrogen-bonded Turntrans-71.3-13.1-177.100000116.1
172G35.3Very low38.2Very low63 Ų63104.9 Ų104.965%0.64959%0.585SS**THydrogen-bonded Turntrans-110.7-13.8-178.500000115.8L170L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.22Å
173T39Very low39Very low76 Ų76102.3 Ų102.347%0.46657%0.566SS.*THydrogen-bonded Turntrans-123.5-21.8-163.63.90000113.5R176 I177T173-R176 PolarHBondContact O-N 3.06Å; T173-I177 WeakPolarHBondContact O-CD1 3.13Å; T173-I177 WeakPolarHBondContact O-CG1 3.46Å
174V40.8Very low39.3Very low55 Ų55106.6 Ų106.633%0.33358%0.578SS.*Hα-helixtrans-76.2-34.3-176.7179.30000111.7L170 R176 I177 F178L170-V174 HydrophobicContact CB-CG2 3.85Å; L170-V174 HydrophobicContact CD2-CG2 3.81Å; L170-V174 HydrophobicContact CG-CG2 4.36Å; L170-V174 VanDerWaalsContact O-CG2 3.3Å; L170-V174 WeakPolarHBondContact O-CG2 3.36Å; V174-R176 PolarHBondContact O-N 3.01Å; V174-R176 VanDerWaalsContact O-N 3.15Å; V174-I177 PolarHBondContact O-N 2.77Å; V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.77Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å
175N38.3Very low40.1Very low131 Ų131106.1 Ų106.170%0.70158%0.576SS**Hα-helixtrans-71.6-7.1175.9-95.32.7000115
176R40.4Very low40.7Very low229 Ų229109.4 Ų109.486%0.86458%0.579SS**Hα-helixtrans-101.5-12.3176.1-91.7-177.8173.5141.8-2.9114.4T173 V174T173-R176 PolarHBondContact O-N 3.06Å; V174-R176 PolarHBondContact O-N 3.01Å; V174-R176 VanDerWaalsContact O-N 3.15Å
177I46Very low41.3Very low118 Ų118108.3 Ų108.361%0.60558%0.575SS**Hα-helixtrans-106.2-15.5-173.2-63.3170.3000111.9T173 V174T173-I177 WeakPolarHBondContact O-CD1 3.13Å; T173-I177 WeakPolarHBondContact O-CG1 3.46Å; V174-I177 PolarHBondContact O-N 2.77Å
178F37Very low41.8Very low82 Ų82109.2 Ų109.236%0.3657%0.572SS.*SBendtrans-110.2120.4-175.7-71-85.4000112.3V174 A182 P183V174-F178 HydrophobicContact CG1-CD2 3.71Å; V174-F178 HydrophobicContact CG1-CE2 3.77Å; V174-F178 VanDerWaalsContact O-CD2 3.31Å; V174-F178 WeakPolarHBondContact O-CD2 3.33Å; F178-A182 HydrophobicContact CD1-CB 4.25Å; F178-P183 HydrophobicContact CB-CG 4.48Å
179P37.6Very low42.3Very low90 Ų90103.5 Ų103.558%0.58455%0.55SS**  trans-58.1143.4167.23.6-1.8000109.4N181 A182 P183P179-N181 PolarHBondContact O-N 2.81Å; P179-A182 HydrophobicContact CG-CB 3.94Å; P179-A182 WeakPolarHBondContact O-CB 3.14Å; P179-A182 PolarHBondContact O-N 3.36Å; P179-P183 WeakPolarHBondContact O-CD 3.17Å
180K46.6Very low43.3Very low206 Ų20699 Ų9990%0.89653%0.527SS*.THydrogen-bonded Turntrans-51.4-16.6-170.7-64.8-177.3177.6-179.50115.8
181N46.6Very low43.9Very low136 Ų13699.2 Ų99.273%0.72752%0.524SS*.THydrogen-bonded Turntrans-108.8-8.8-178.7-56.8-18.5000114.2P179 P183P179-N181 PolarHBondContact O-N 2.81Å; N181-P183 VanDerWaalsContact C-CD 3.48Å
182A40.9Very low45.1Very low30 Ų3099.2 Ų99.225%0.24850%0.503CS..Hα-helixtrans-70.6-34-179.500000115.5F178 P179 K184 N185 W186F178-A182 HydrophobicContact CD1-CB 4.25Å; P179-A182 HydrophobicContact CG-CB 3.94Å; P179-A182 WeakPolarHBondContact O-CB 3.14Å; P179-A182 PolarHBondContact O-N 3.36Å; A182-K184 VanDerWaalsContact C-N 3.3Å; A182-K184 PolarHBondContact O-N 2.98Å; A182-N185 PolarHBondContact O-N 2.81Å; A182-W186 WeakPolarHBondContact O-CB 3.34Å; A182-W186 PolarHBondContact O-N 2.79Å
183P49.8Very low46.2Very low49 Ų49100.8 Ų100.832%0.31849%0.49SS..Hα-helixtrans-61.9-36.6-174.9-23.732.1000113.3F178 P179 N181 A187F178-P183 HydrophobicContact CB-CG 4.48Å; P179-P183 WeakPolarHBondContact O-CD 3.17Å; N181-P183 VanDerWaalsContact C-CD 3.48Å; P183-A187 WeakPolarHBondContact O-CB 3.28Å; P183-A187 PolarHBondContact O-N 2.54Å
184K43.4Very low47Very low175 Ų17599.4 Ų99.476%0.76148%0.479SS*.Hα-helixtrans-70.7-40-175.6-165.5174.3-177.2176.60112.4A182 R188A182-K184 VanDerWaalsContact C-N 3.3Å; A182-K184 PolarHBondContact O-N 2.98Å; K184-R188 WeakPolarHBondContact O-CB 3Å; K184-R188 PolarHBondContact O-N 2.96Å
185N47.9Very low47.9Very low118 Ų11897.4 Ų97.463%0.63147%0.467SS*.Hα-helixtrans-76.4-37.3178.7-68.9-10.9000111.4A182 S189A182-N185 PolarHBondContact O-N 2.81Å; N185-S189 WeakPolarHBondContact O-CB 3.05Å; N185-S189 PolarHBondContact O-N 2.79Å
186W47Very low48.9Very low144 Ų14495 Ų9555%0.54546%0.459SS..Hα-helixtrans-67.3-48.5176.2-179.578.9000112A182 R188 S189 L190A182-W186 WeakPolarHBondContact O-CB 3.34Å; A182-W186 PolarHBondContact O-N 2.79Å; W186-R188 VanDerWaalsContact C-N 3.27Å; W186-R188 PolarHBondContact O-N 2.79Å; W186-S189 PolarHBondContact O-N 3.43Å; W186-S189 VanDerWaalsContact O-N 3.15Å; W186-L190 HydrophobicContact CH2-CD1 4.29Å; W186-L190 HydrophobicContact CH2-CD2 4.02Å; W186-L190 HydrophobicContact CZ2-CD1 3.79Å; W186-L190 HydrophobicContact CZ2-CD2 4.36Å; W186-L190 HydrophobicContact CZ3-CD2 4.34Å; W186-L190 VanDerWaalsContact O-CB 3.3Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.09Å
187A48.4Very low49.9Very low30 Ų3086.9 Ų86.925%0.24843%0.432CS..Hα-helixtrans-58-43.317700000111P183 L190 F191P183-A187 WeakPolarHBondContact O-CB 3.28Å; P183-A187 PolarHBondContact O-N 2.54Å; A187-L190 PolarHBondContact O-N 3.43Å; A187-F191 HydrophobicContact CB-CD2 4.48Å; A187-F191 HydrophobicContact CB-CE2 4.47Å; A187-F191 WeakPolarHBondContact O-CB 3.49Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 2.89Å
188R47.1Very low51.2Low111 Ų11182.1 Ų82.142%0.41941%0.411SS..Hα-helixtrans-59.4-49.2175-175.6179.7-177149.75.2112.5K184 W186 L190 F191 E192K184-R188 WeakPolarHBondContact O-CB 3Å; K184-R188 PolarHBondContact O-N 2.96Å; W186-R188 VanDerWaalsContact C-N 3.27Å; W186-R188 PolarHBondContact O-N 2.79Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.87Å; R188-F191 PolarHBondContact O-N 2.95Å; R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 3.78Å; R188-E192 IonicContact NE-OE1 2.93Å; R188-E192 PolarHBondContact NE-OE1 2.91Å; R188-E192 IonicContact NH2-OE1 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.4Å
189S51Low53.1Low44 Ų4479.2 Ų79.231%0.30840%0.401SS..Hα-helixtrans-63.7-38178.6-169.60000111.7N185 W186 R193N185-S189 WeakPolarHBondContact O-CB 3.05Å; N185-S189 PolarHBondContact O-N 2.79Å; W186-S189 PolarHBondContact O-N 3.43Å; W186-S189 VanDerWaalsContact O-N 3.15Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.21Å; S189-R193 WeakPolarHBondContact O-CD 3.25Å; S189-R193 WeakPolarHBondContact O-CG 3.42Å; S189-R193 PolarHBondContact O-N 3.2Å; S189-R193 PolarHBondContact OG-NE 3.48Å
190L54.5Low55.1Low27 Ų2785.6 Ų85.614%0.14141%0.414CS..Hα-helixtrans-64.3-48.2176.1-164.490.2000111L63 W186 A187 R188 R193 I194L63-L190 HydrophobicContact CD2-CD1 4.43Å; W186-L190 HydrophobicContact CH2-CD1 4.29Å; W186-L190 HydrophobicContact CH2-CD2 4.02Å; W186-L190 HydrophobicContact CZ2-CD1 3.79Å; W186-L190 HydrophobicContact CZ2-CD2 4.36Å; W186-L190 HydrophobicContact CZ3-CD2 4.34Å; W186-L190 VanDerWaalsContact O-CB 3.3Å; W186-L190 WeakPolarHBondContact O-CB 3.46Å; W186-L190 PolarHBondContact O-N 3.09Å; A187-L190 PolarHBondContact O-N 3.43Å; R188-L190 VanDerWaalsContact C-N 3.31Å; R188-L190 PolarHBondContact O-N 2.87Å; L190-R193 PolarHBondContact O-N 3.14Å; L190-I194 HydrophobicContact CD1-CD1 4.48Å; L190-I194 HydrophobicContact CD2-CD1 3.71Å; L190-I194 HydrophobicContact CG-CD1 3.6Å; L190-I194 HydrophobicContact CG-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.31Å
191F53Low57Low93 Ų9376.7 Ų76.741%0.40838%0.376SS..Hα-helixtrans-65.3-41.3177.8-78.7-64.3000112.3A187 R188 R193 I194 T195A187-F191 HydrophobicContact CB-CD2 4.48Å; A187-F191 HydrophobicContact CB-CE2 4.47Å; A187-F191 WeakPolarHBondContact O-CB 3.49Å; A187-F191 WeakPolarHBondContact O-CD2 3.29Å; A187-F191 PolarHBondContact O-N 2.89Å; R188-F191 PolarHBondContact O-N 2.95Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 PolarHBondContact O-N 3Å; F191-I194 PolarHBondContact O-N 3.24Å; F191-T195 PolarHBondContact O-N 3.36Å; F191-T195 PolarHBondContact O-OG1 2.95Å
192E57.5Low58.9Low76 Ų7673.6 Ų73.636%0.35536%0.359SS..Hα-helixtrans-60-36.7172.9-80.1168.7-167.400111.8R188 T195 N269R188-E192 WeakPolarHBondContact CG-OE1 3.47Å; R188-E192 IonicContact CZ-OE1 3.78Å; R188-E192 IonicContact NE-OE1 2.93Å; R188-E192 PolarHBondContact NE-OE1 2.91Å; R188-E192 IonicContact NH2-OE1 3.7Å; R188-E192 WeakPolarHBondContact O-CB 3.45Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.4Å; E192-T195 CarbonylContact O-C 3.55Å; E192-N269 WeakPolarHBondContact CG-ND2 3.22Å
193R57.9Low61.2Low96 Ų9672.5 Ų72.536%0.36235%0.349SS..Hα-helixtrans-76.9-33.1177-73.8168.6-175.3-114.4-5.5114S66 S189 L190 F191S66-R193 PolarHBondContact OG-NH2 3.41Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.21Å; S189-R193 WeakPolarHBondContact O-CD 3.25Å; S189-R193 WeakPolarHBondContact O-CG 3.42Å; S189-R193 PolarHBondContact O-N 3.2Å; S189-R193 PolarHBondContact OG-NE 3.48Å; L190-R193 PolarHBondContact O-N 3.14Å; F191-R193 VanDerWaalsContact C-N 3.27Å; F191-R193 PolarHBondContact O-N 3Å
194I56Low63.1Low48 Ų4876.4 Ų76.425%0.24636%0.363CS..Hα-helixtrans-77.2-34.3-179.1-70.4168.3000110.4L190 F191 P196 W307L190-I194 HydrophobicContact CD1-CD1 4.48Å; L190-I194 HydrophobicContact CD2-CD1 3.71Å; L190-I194 HydrophobicContact CG-CD1 3.6Å; L190-I194 HydrophobicContact CG-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CB 3.42Å; L190-I194 WeakPolarHBondContact O-CG1 3.28Å; L190-I194 PolarHBondContact O-N 3.31Å; F191-I194 PolarHBondContact O-N 3.24Å; I194-P196 VanDerWaalsContact C-CD 3.44Å; I194-P196 WeakPolarHBondContact O-CD 3.42Å; I194-W307 HydrophobicContact CG2-CB 3.42Å; I194-W307 VanDerWaalsContact CG2-CB 3.42Å; I194-W307 HydrophobicContact CG2-CD2 4.21Å; I194-W307 HydrophobicContact CG2-CE3 4.27Å; I194-W307 HydrophobicContact CG2-CG 3.9Å
195T60Low65.4Low13 Ų1368.6 Ų68.68%0.0833%0.331CS..  trans-121.769.1177.7610000111.4F191 E192 D197 A198 T286 W307F191-T195 PolarHBondContact O-N 3.36Å; F191-T195 PolarHBondContact O-OG1 2.95Å; E192-T195 CarbonylContact O-C 3.55Å; T195-D197 PolarHBondContact O-N 3.26Å; T195-A198 WeakPolarHBondContact O-CB 2.96Å; T195-A198 PolarHBondContact O-N 3.32Å; T195-T286 HydrophobicContact CG2-CG2 4.43Å; T195-W307 HydrophobicContact CG2-CB 3.8Å
196P59.4Low67.5Low81 Ų8163.5 Ų63.553%0.52630%0.304SS..THydrogen-bonded Turntrans-63.7-24.1178.128-34.9000112I194 A198I194-P196 VanDerWaalsContact C-CD 3.44Å; I194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-A198 PolarHBondContact O-N 3.28Å
197D61.4Low69.7Low58 Ų5857.9 Ų57.931%0.3128%0.284SS..THydrogen-bonded Turntrans-80.93-178.1-57.6-16.3000112.9T195 A199 I288 Y339T195-D197 PolarHBondContact O-N 3.26Å; D197-A199 PolarHBondContact O-N 2.98Å; D197-I288 HydrophobicContact CB-CB 4.41Å; D197-I288 HydrophobicContact CB-CG2 4.32Å; D197-I288 WeakPolarHBondContact O-CA 3.36Å; D197-Y339 PolarHBondContact OD2-OH 2.99Å; D197-Y339 VanDerWaalsContact OD2-OH 3.13Å
198A72.4Confident71.8Confident18 Ų1857.2 Ų57.215%0.14928%0.28CS..  trans-65.7117-177.200000111.4T195 P196 N269 T286T195-A198 WeakPolarHBondContact O-CB 2.96Å; T195-A198 PolarHBondContact O-N 3.32Å; P196-A198 PolarHBondContact O-N 3.28Å; A198-N269 HydrophobicContact CB-CB 4.04Å; A198-T286 HydrophobicContact CB-CG2 3.54Å
199A77.4Confident74Confident20 Ų2054.5 Ų54.517%0.16527%0.27CS..  trans-65.4149.6177.100000111.2D197 I201 G270 V287 L290D197-A199 PolarHBondContact O-N 2.98Å; A199-I201 HydrophobicContact CB-CG1 4.4Å; A199-G270 WeakPolarHBondContact O-CA 3.07Å; A199-G270 PolarHBondContact O-N 3.07Å; A199-V287 PolarHBondContact N-O 3.49Å; A199-L290 HydrophobicContact CB-CD1 3.96Å; A199-L290 HydrophobicContact CB-CG 4.09Å
200R79.4Confident76.1Confident224 Ų22452.4 Ų52.485%0.84526%0.255SS*.  trans-81.1115.9166.8-69179.964.3-178.8-2.6108.2
201I85.3Confident77.9Confident20 Ų2051.6 Ų51.610%0.10325%0.25CS..  trans-113.6137.1-170.9-48.7171000110.5A199 M206 F272 V287 L290 Y299A199-I201 HydrophobicContact CB-CG1 4.4Å; I201-M206 HydrophobicContact CG2-CG 3.51Å; I201-M206 HydrophobicContact CG2-SD 4.09Å; I201-F272 HydrophobicContact CD1-CE2 3.48Å; I201-F272 VanDerWaalsContact CD1-CE2 3.48Å; I201-F272 HydrophobicContact CD1-CZ 3.87Å; I201-V287 HydrophobicContact CD1-CB 3.52Å; I201-V287 HydrophobicContact CD1-CG1 4.22Å; I201-V287 HydrophobicContact CD1-CG2 3.46Å; I201-V287 VanDerWaalsContact CD1-CG2 3.46Å; I201-V287 HydrophobicContact CG1-CB 4.35Å; I201-L290 HydrophobicContact CB-CD1 4.42Å; I201-L290 HydrophobicContact CG1-CD1 4Å; I201-L290 HydrophobicContact CG2-CD1 4.46Å; I201-Y299 HydrophobicContact CG2-CE2 3.82Å
202N88.1Confident79.7Confident70 Ų7047.9 Ų47.937%0.37423%0.234SC..  trans-82.6110.9156.4-177.211.8000109.5E204 S205 Y299N202-E204 PolarHBondContact O-N 2.82Å; N202-E204 PolarHBondContact OD1-N 3.17Å; N202-S205 PolarHBondContact ND2-OG 2.82Å; N202-S205 PolarHBondContact O-N 3.45Å; N202-Y299 PolarHBondContact N-OH 3.36Å; N202-Y299 WeakPolarHBondContact O-CE2 3.48Å
203V88.1Confident81.3Confident7 Ų744.6 Ų44.64%0.04222%0.219CC..SBendtrans-63.2-30.6-175.4-172.10000111.6M206 M207 L232 A239 K265 F272V203-M206 WeakPolarHBondContact O-CB 3.36Å; V203-M206 PolarHBondContact O-N 2.87Å; V203-M206 VanDerWaalsContact O-N 3.12Å; V203-M207 HydrophobicContact CG1-CE 4.18Å; V203-M207 WeakPolarHBondContact O-CE 3.27Å; V203-L232 HydrophobicContact CB-CD1 4.46Å; V203-L232 HydrophobicContact CG1-CD1 3.59Å; V203-L232 HydrophobicContact CG1-CD2 4.39Å; V203-A239 HydrophobicContact CB-CB 4.3Å; V203-A239 HydrophobicContact CG1-CB 3.96Å; V203-A239 HydrophobicContact CG2-CB 4.03Å; V203-K265 HydrophobicContact CG2-CD 3.42Å; V203-K265 VanDerWaalsContact CG2-CD 3.42Å; V203-F272 HydrophobicContact CG1-CE1 4.46Å; V203-F272 HydrophobicContact CG2-CE1 4.5Å
204E90.4Very high82.8Confident131 Ų13140 Ų4061%0.61220%0.202SC*.G310 helixtrans-62.7-43.9177.6-170.9172.1-163.100111.9N202 M206 M207 L232N202-E204 PolarHBondContact O-N 2.82Å; N202-E204 PolarHBondContact OD1-N 3.17Å; E204-M206 PolarHBondContact O-N 2.8Å; E204-M206 VanDerWaalsContact O-N 3.1Å; E204-M207 WeakPolarHBondContact O-CB 3.49Å; E204-M207 PolarHBondContact O-N 2.87Å; E204-L232 HydrophobicContact CB-CD2 4.22Å
205S92Very high84.3Confident12 Ų1238.3 Ų38.38%0.08419%0.194CC..G310 helixtrans-67.1-9.9176.2-60.90000114N202 N297 Y299 R317N202-S205 PolarHBondContact ND2-OG 2.82Å; N202-S205 PolarHBondContact O-N 3.45Å; S205-N297 WeakPolarHBondContact CB-O 3.31Å; S205-N297 PolarHBondContact OG-O 3.09Å; S205-Y299 VanDerWaalsContact CB-CE2 3.47Å; S205-Y299 PolarHBondContact O-N 3.3Å; S205-R317 PolarHBondContact O-NH2 3.33Å
206M91.4Very high85.5Confident11 Ų1137.7 Ų37.75%0.05419%0.19CC..G310 helixtrans-86.6-14.1171.9-66.3-68.3-65.700112.9I201 V203 E204 W210 F229 L290 Y299 A302 R317I201-M206 HydrophobicContact CG2-CG 3.51Å; I201-M206 HydrophobicContact CG2-SD 4.09Å; V203-M206 WeakPolarHBondContact O-CB 3.36Å; V203-M206 PolarHBondContact O-N 2.87Å; V203-M206 VanDerWaalsContact O-N 3.12Å; E204-M206 PolarHBondContact O-N 2.8Å; E204-M206 VanDerWaalsContact O-N 3.1Å; M206-W210 HydrophobicContact CE-CZ2 4.14Å; M206-W210 PolarHBondContact O-NE1 3.42Å; M206-W210 HydrophobicContact SD-CZ2 3.99Å; M206-F229 WeakPolarHBondContact O-CD2 2.96Å; M206-L290 HydrophobicContact SD-CD2 4.11Å; M206-Y299 HydrophobicContact CG-CD2 4.13Å; M206-Y299 HydrophobicContact CG-CE2 4.26Å; M206-Y299 HydrophobicContact SD-CD2 3.66Å; M206-Y299 HydrophobicContact SD-CE2 4.21Å; M206-A302 HydrophobicContact CE-CB 4.03Å; M206-A302 HydrophobicContact SD-CB 4.38Å; M206-R317 PolarHBondContact O-NH2 2.82Å
207M93.1Very high86.1Confident26 Ų2636 Ų3613%0.12818%0.179CC..  trans-71.2156.3-176.4-64.3-59.4102.500112.7V203 E204 F229 L232 F241 R317V203-M207 HydrophobicContact CG1-CE 4.18Å; V203-M207 WeakPolarHBondContact O-CE 3.27Å; E204-M207 WeakPolarHBondContact O-CB 3.49Å; E204-M207 PolarHBondContact O-N 2.87Å; M207-F229 HydrophobicContact CE-CB 3.9Å; M207-F229 HydrophobicContact SD-CB 4.09Å; M207-L232 HydrophobicContact CE-CD1 4.44Å; M207-L232 HydrophobicContact CG-CB 4.02Å; M207-L232 HydrophobicContact CG-CD2 3.89Å; M207-L232 HydrophobicContact CG-CG 4.48Å; M207-L232 HydrophobicContact SD-CB 3.77Å; M207-L232 HydrophobicContact SD-CD1 4.42Å; M207-L232 HydrophobicContact SD-CD2 4.4Å; M207-L232 HydrophobicContact SD-CG 4.42Å; M207-F241 HydrophobicContact CE-CB 3.99Å; M207-F241 HydrophobicContact CE-CD1 4.4Å; M207-F241 HydrophobicContact CE-CD2 4.27Å; M207-F241 HydrophobicContact CE-CG 3.98Å; M207-F241 HydrophobicContact SD-CB 4.06Å; M207-R317 PolarHBondContact O-NH1 2.88Å; M207-R317 PolarHBondContact O-NH2 2.97Å
208G92.7Very high86.6Confident16 Ų1638.9 Ų38.917%0.16519%0.19CC..EExtended strand (participates in β ladder)trans99.3-161.6-178.100000113.6F229 R317G208-F229 PolarHBondContact N-O 3.44Å; G208-F229 PolarHBondContact O-N 3.34Å; G208-R317 VanDerWaalsContact C-NH1 3.29Å
209R92.8Very high86.6Confident54 Ų5441.5 Ų41.520%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-83142.8-172.9-174.218057.4-169.5-10.5113F211 V226 S227 R317 F364 S365 A367R209-F211 HydrophobicContact CG-CE2 4.12Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-V226 HydrophobicContact CG-CG1 3.78Å; R209-S227 CarbonylContact C-O 3.54Å; R209-S227 WeakPolarHBondContact CA-O 3.32Å; R209-R317 WeakPolarHBondContact O-CD 3.44Å; R209-R317 PolarHBondContact O-NH1 2.97Å; R209-F364 PolarHBondContact NH1-O 3.25Å; R209-S365 VanDerWaalsContact NH1-C 3.32Å; R209-S365 PolarHBondContact NH1-O 3.45Å; R209-A367 PolarHBondContact NH1-O 3.28Å; R209-A367 PolarHBondContact NH2-O 3.45Å; R209-A367 VanDerWaalsContact NH2-O 3.15Å
210W94.4Very high86.4Confident0 Ų042.1 Ų42.10%021%0.205CC..EExtended strand (participates in β ladder)trans-138.7137178.9-70.898.6000110.9M206 V226 S227 F229 Y299 A302 L315 R317M206-W210 HydrophobicContact CE-CZ2 4.14Å; M206-W210 PolarHBondContact O-NE1 3.42Å; M206-W210 HydrophobicContact SD-CZ2 3.99Å; W210-V226 CarbonylContact O-C 3.56Å; W210-V226 WeakPolarHBondContact O-CA 3.32Å; W210-V226 WeakPolarHBondContact O-CG1 3.5Å; W210-S227 PolarHBondContact N-O 2.87Å; W210-S227 PolarHBondContact O-N 2.91Å; W210-F229 AromaticContact CD1-CD2 3.4Å; W210-F229 AromaticContact CD1-CE2 3.46Å; W210-F229 VanDerWaalsContact CD1-CE2 3.46Å; W210-F229 HydrophobicContact CG-CD2 4.48Å; W210-F229 HydrophobicContact CG-CE2 4.19Å; W210-F229 AromaticContact NE1-CD2 3.45Å; W210-F229 AromaticContact NE1-CE2 3.68Å; W210-Y299 WeakPolarHBondContact CH2-O 3.35Å; W210-A302 HydrophobicContact CH2-CB 4.27Å; W210-A302 HydrophobicContact CZ3-CB 4.48Å; W210-L315 HydrophobicContact CB-CB 4.23Å; W210-L315 HydrophobicContact CB-CD1 4.47Å; W210-L315 HydrophobicContact CD2-CB 4.07Å; W210-L315 HydrophobicContact CE3-CB 3.6Å; W210-L315 HydrophobicContact CG-CB 4.38Å; W210-L315 HydrophobicContact CG-CD1 4.48Å; W210-L315 HydrophobicContact CZ3-CB 4.25Å; W210-R317 HydrophobicContact CE3-CG 4.33Å; W210-R317 HydrophobicContact CH2-CG 4.26Å; W210-R317 VanDerWaalsContact CZ2-NH2 3.34Å; W210-R317 HydrophobicContact CZ3-CG 3.98Å
211F92.4Very high86.5Confident9 Ų940 Ų404%0.03920%0.197CC..EExtended strand (participates in β ladder)trans-106.5132.9173.1-61.3-88.3000109.7R209 V213 V226 L315 A316 R317 P319 Y355 Y360R209-F211 HydrophobicContact CG-CE2 4.12Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; F211-V213 PolarHBondContact O-N 2.86Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.75Å; F211-V226 HydrophobicContact CE1-CG1 4.09Å; F211-V226 HydrophobicContact CE1-CG2 3.86Å; F211-L315 CarbonylContact O-C 3.5Å; F211-L315 WeakPolarHBondContact O-CA 3.41Å; F211-A316 PolarHBondContact N-O 2.89Å; F211-A316 PolarHBondContact O-N 3.46Å; F211-R317 VanDerWaalsContact CD2-O 3.24Å; F211-R317 WeakPolarHBondContact CD2-O 3.41Å; F211-R317 VanDerWaalsContact CE2-O 3.29Å; F211-R317 WeakPolarHBondContact CE2-O 3.32Å; F211-P319 HydrophobicContact CB-CB 4.5Å; F211-P319 HydrophobicContact CB-CG 4.35Å; F211-P319 HydrophobicContact CD2-CG 4.4Å; F211-P319 HydrophobicContact CG-CG 4.21Å; F211-Y355 HydrophobicContact CD1-CD2 4.5Å; F211-Y355 AromaticContact CD1-CE2 3.65Å; F211-Y355 HydrophobicContact CD1-CE2 3.65Å; F211-Y355 AromaticContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CG-CE2 4.32Å; F211-Y360 HydrophobicContact CD1-CE1 4.46Å
212Q91.3Very high86.4Confident15 Ų1540.3 Ų40.37%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-78.6112.3174.1-170.2166.7-24.900109.5T215 S225 V314 L315 V353Q212-T215 PolarHBondContact NE2-OG1 2.9Å; Q212-S225 PolarHBondContact N-O 3.5Å; Q212-S225 PolarHBondContact OE1-OG 3.04Å; Q212-V314 WeakPolarHBondContact CA-O 3.12Å; Q212-L315 HydrophobicContact CB-CD2 4.26Å; Q212-L315 HydrophobicContact CG-CD2 4.49Å; Q212-V353 WeakPolarHBondContact O-CG2 3.35Å
213V91.4Very high86.3Confident8 Ų837.7 Ų37.75%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-104.7-22.2-174.8-69.70000113.1F211 V314 A316 P319 F322 P352 V353F211-V213 PolarHBondContact O-N 2.86Å; V213-V314 HydrophobicContact CG2-CB 3.92Å; V213-V314 HydrophobicContact CG2-CG1 3.74Å; V213-V314 VanDerWaalsContact CG2-O 3.29Å; V213-V314 WeakPolarHBondContact CG2-O 3.46Å; V213-V314 PolarHBondContact N-O 2.83Å; V213-A316 HydrophobicContact CB-CB 4.47Å; V213-A316 HydrophobicContact CG1-CB 3.72Å; V213-A316 HydrophobicContact CG2-CB 3.87Å; V213-P319 HydrophobicContact CG1-CB 3.74Å; V213-F322 HydrophobicContact CB-CD1 3.8Å; V213-F322 HydrophobicContact CB-CE1 4.03Å; V213-F322 HydrophobicContact CB-CG 4.46Å; V213-F322 HydrophobicContact CG1-CD1 4.17Å; V213-F322 HydrophobicContact CG1-CG 4.47Å; V213-F322 HydrophobicContact CG2-CD1 3.49Å; V213-F322 VanDerWaalsContact CG2-CD1 3.49Å; V213-F322 HydrophobicContact CG2-CD2 4.27Å; V213-F322 HydrophobicContact CG2-CE1 3.44Å; V213-F322 VanDerWaalsContact CG2-CE1 3.44Å; V213-F322 HydrophobicContact CG2-CE2 4.23Å; V213-F322 HydrophobicContact CG2-CG 3.93Å; V213-F322 HydrophobicContact CG2-CZ 3.85Å; V213-P352 CarbonylContact O-C 3.56Å; V213-P352 WeakPolarHBondContact O-CA 3.32Å; V213-V353 PolarHBondContact O-N 3.34Å
214I89.8Confident86.2Confident0 Ų037.6 Ų37.60%019%0.186CC..EExtended strand (participates in β ladder)trans-133.8135.2169.1-62.8167.4000107.3F313 V314 F322 M327 V330 L331 I350 A351I214-F313 WeakPolarHBondContact O-CA 3.22Å; I214-V314 HydrophobicContact CB-CB 3.79Å; I214-V314 HydrophobicContact CB-CG2 3.78Å; I214-V314 HydrophobicContact CD1-CB 4.13Å; I214-V314 HydrophobicContact CD1-CG2 3.79Å; I214-V314 HydrophobicContact CG1-CB 4.2Å; I214-V314 HydrophobicContact CG1-CG2 4.23Å; I214-V314 HydrophobicContact CG2-CG2 4.35Å; I214-V314 PolarHBondContact N-O 3.37Å; I214-V314 PolarHBondContact O-N 2.87Å; I214-F322 HydrophobicContact CD1-CE1 4.25Å; I214-F322 HydrophobicContact CD1-CZ 4.29Å; I214-M327 HydrophobicContact CD1-SD 3.87Å; I214-M327 HydrophobicContact CG1-SD 4.16Å; I214-V330 HydrophobicContact CD1-CG1 4.2Å; I214-L331 HydrophobicContact CD1-CD2 4.03Å; I214-I350 HydrophobicContact CG2-CG2 3.35Å; I214-A351 WeakPolarHBondContact CA-O 3.46Å
215T87.5Confident86.2Confident12 Ų1231.5 Ų31.57%0.07416%0.158CC..EExtended strand (participates in β ladder)trans-134.5161.7-178.3-170.10000112.1Q212 P217 I350 A351 V353Q212-T215 PolarHBondContact NE2-OG1 2.9Å; T215-P217 VanDerWaalsContact O-CD 3.3Å; T215-P217 WeakPolarHBondContact O-CD 3.49Å; T215-I350 WeakPolarHBondContact O-CA 3.07Å; T215-A351 PolarHBondContact N-O 3.29Å; T215-A351 PolarHBondContact O-N 3.45Å; T215-V353 HydrophobicContact CG2-CG2 3.93Å
216S83.8Confident86.1Confident0 Ų031.3 Ų31.30%016%0.156CC..  trans-10289.8165.2-69.30000110.4H218 V219 I220 V312 M349S216-H218 PolarHBondContact O-N 2.86Å; S216-H218 VanDerWaalsContact O-N 3.14Å; S216-V219 PolarHBondContact O-N 2.73Å; S216-V219 VanDerWaalsContact O-N 3.09Å; S216-I220 PolarHBondContact O-N 3.29Å; S216-V312 PolarHBondContact OG-N 3.02Å; S216-V312 PolarHBondContact OG-O 3.34Å; S216-M349 WeakPolarHBondContact CA-O 3.13Å; S216-M349 VanDerWaalsContact CB-O 3.22Å; S216-M349 WeakPolarHBondContact CB-O 3.3Å; S216-M349 PolarHBondContact OG-O 3.27Å
217P73Confident86.2Confident46 Ų4631.4 Ų31.430%0.29916%0.157SC..THydrogen-bonded Turntrans-64.4-22.6-169.726.2-34.9000113.7T215 V219 I220 A351T215-P217 VanDerWaalsContact O-CD 3.3Å; T215-P217 WeakPolarHBondContact O-CD 3.49Å; P217-V219 VanDerWaalsContact C-N 3.3Å; P217-V219 PolarHBondContact O-N 2.92Å; P217-I220 CarbonylContact O-C 3.58Å; P217-A351 HydrophobicContact CG-CB 4.5Å
218H71.6Confident86.2Confident117 Ų11734.5 Ų34.554%0.54217%0.171SC..THydrogen-bonded Turntrans-74.7-20.1178.6-63.6-14000113.6S216 L347S216-H218 PolarHBondContact O-N 2.86Å; S216-H218 VanDerWaalsContact O-N 3.14Å; H218-L347 PolarHBondContact NE2-O 3.21Å
219V73.2Confident86.2Confident74 Ų7434.7 Ų34.745%0.44817%0.168SC..THydrogen-bonded Turntrans-95.9-45.6176.5-176.90000110.2S216 P217 F310 P311S216-V219 PolarHBondContact O-N 2.73Å; S216-V219 VanDerWaalsContact O-N 3.09Å; P217-V219 VanDerWaalsContact C-N 3.3Å; P217-V219 PolarHBondContact O-N 2.92Å; V219-F310 HydrophobicContact CG2-CD1 4.16Å; V219-F310 HydrophobicContact CG2-CE1 3.16Å; V219-F310 HydrophobicContact CG2-CE2 4.43Å; V219-F310 HydrophobicContact CG2-CZ 3.34Å; V219-P311 HydrophobicContact CB-CB 4.27Å; V219-P311 HydrophobicContact CG1-CB 4.33Å; V219-P311 HydrophobicContact CG1-CG 4.24Å; V219-P311 HydrophobicContact CG2-CB 4.09Å
220I73.6Confident86.1Confident33 Ų3332.8 Ų32.817%0.16917%0.165CC..  trans-118.7106.8-175.5-59.8-167.8000108.6S216 P217 E222 F313S216-I220 PolarHBondContact O-N 3.29Å; P217-I220 CarbonylContact O-C 3.58Å; I220-E222 HydrophobicContact CG2-CB 3.68Å; I220-E222 HydrophobicContact CG2-CG 3.33Å; I220-E222 VanDerWaalsContact CG2-OE2 3.25Å; I220-E222 WeakPolarHBondContact CG2-OE2 3.37Å; I220-E222 PolarHBondContact O-N 2.91Å; I220-F313 HydrophobicContact CD1-CE1 3.68Å; I220-F313 HydrophobicContact CD1-CE2 4.05Å; I220-F313 HydrophobicContact CD1-CZ 3.23Å; I220-F313 HydrophobicContact CG1-CE1 4.17Å; I220-F313 HydrophobicContact CG1-CZ 3.84Å
221R80.2Confident85.8Confident178 Ų17836.2 Ų36.267%0.67219%0.194SC*.  trans-80.962.2175-65-173.4179.5-171.8-0.2110.9G250R221-G250 WeakPolarHBondContact O-CA 3.38Å; R221-G250 PolarHBondContact O-N 2.51Å
222E84.5Confident85.7Confident27 Ų2738.2 Ų38.213%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-132141.9179.6-58.4173.2175.200110.3I220 K245 Y247 R248I220-E222 HydrophobicContact CG2-CB 3.68Å; I220-E222 HydrophobicContact CG2-CG 3.33Å; I220-E222 VanDerWaalsContact CG2-OE2 3.25Å; I220-E222 WeakPolarHBondContact CG2-OE2 3.37Å; I220-E222 PolarHBondContact O-N 2.91Å; E222-K245 IonicContact OE1-NZ 2.54Å; E222-K245 PolarHBondContact OE1-NZ 3.23Å; E222-K245 WeakPolarHBondContact OE2-CE 3.46Å; E222-K245 IonicContact OE2-NZ 2.87Å; E222-K245 PolarHBondContact OE2-NZ 3.3Å; E222-Y247 HydrophobicContact CB-CD2 3.84Å; E222-Y247 HydrophobicContact CB-CG 4.22Å; E222-Y247 HydrophobicContact CG-CD2 3.41Å; E222-Y247 VanDerWaalsContact CG-CD2 3.41Å; E222-Y247 HydrophobicContact CG-CE2 3.74Å; E222-Y247 HydrophobicContact CG-CG 3.96Å; E222-R248 WeakPolarHBondContact CA-O 3.29Å
223A84.8Confident85.5Confident15 Ų1541.3 Ų41.312%0.12422%0.224CC..EExtended strand (participates in β ladder)trans-117.4157.4173.300000110.6S225 R248 V252A223-S225 VanDerWaalsContact C-N 3.28Å; A223-S225 PolarHBondContact O-N 3.42Å; A223-R248 HydrophobicContact CB-CB 4.47Å; A223-R248 PolarHBondContact N-O 2.75Å; A223-R248 PolarHBondContact O-N 2.78Å; A223-V252 HydrophobicContact CB-CG2 3.96Å
224C86.8Confident85.2Confident6 Ų645.1 Ų45.14%0.04125%0.245CC..EExtended strand (participates in β ladder)trans53.842.7174.5-49.70000113.7V226 C358 Y360C224-V226 PolarHBondContact O-N 2.86Å; C224-C358 WeakPolarHBondContact CA-SG 3.41Å; C224-C358 HydrophobicContact CB-CB 3.65Å; C224-C358 WeakPolarHBondContact CB-SG 3.49Å; C224-C358 WeakPolarHBondContact SG-CA 3.25Å; C224-C358 WeakPolarHBondContact SG-CB 3.21Å; C224-C358 CovalentContact SG-SG 2.03Å; C224-C358 PolarHBondContact SG-SG 3.11Å; C224-Y360 WeakPolarHBondContact CA-OH 3.35Å; C224-Y360 HydrophobicContact CB-CE1 3.89Å; C224-Y360 WeakPolarHBondContact O-CE1 3.34Å
225S89.3Confident84.7Confident3 Ų349.9 Ų49.92%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-74.6123.1-176.6171.70000111.1Q212 A223 K245 F246Q212-S225 PolarHBondContact N-O 3.5Å; Q212-S225 PolarHBondContact OE1-OG 3.04Å; A223-S225 VanDerWaalsContact C-N 3.28Å; A223-S225 PolarHBondContact O-N 3.42Å; S225-K245 WeakPolarHBondContact OG-CE 3.38Å; S225-F246 CarbonylContact C-O 3.56Å; S225-F246 WeakPolarHBondContact CA-O 3.22Å
226V91.3Very high84Confident8 Ų854.9 Ų54.95%0.04831%0.305CS..EExtended strand (participates in β ladder)trans-122.8126.6173.3-170.10000108.4R209 W210 F211 C224 K245 F246 Y360R209-V226 HydrophobicContact CG-CG1 3.78Å; W210-V226 CarbonylContact O-C 3.56Å; W210-V226 WeakPolarHBondContact O-CA 3.32Å; W210-V226 WeakPolarHBondContact O-CG1 3.5Å; F211-V226 HydrophobicContact CD1-CG1 4.2Å; F211-V226 HydrophobicContact CD1-CG2 3.75Å; F211-V226 HydrophobicContact CE1-CG1 4.09Å; F211-V226 HydrophobicContact CE1-CG2 3.86Å; C224-V226 PolarHBondContact O-N 2.86Å; V226-K245 CarbonylContact O-C 3.52Å; V226-K245 WeakPolarHBondContact O-CA 3.35Å; V226-F246 PolarHBondContact N-O 3.49Å; V226-F246 PolarHBondContact O-N 3.13Å; V226-Y360 HydrophobicContact CG2-CD1 3.45Å; V226-Y360 VanDerWaalsContact CG2-CD1 3.45Å; V226-Y360 HydrophobicContact CG2-CE1 3.16Å
227S91.6Very high83.4Confident12 Ų1264.3 Ų64.38%0.08434%0.342CS..EExtended strand (participates in β ladder)trans-114.7136.4177.5-64.40000110R209 W210 L244R209-S227 CarbonylContact C-O 3.54Å; R209-S227 WeakPolarHBondContact CA-O 3.32Å; W210-S227 PolarHBondContact N-O 2.87Å; W210-S227 PolarHBondContact O-N 2.91Å; S227-L244 CarbonylContact C-O 3.45Å; S227-L244 WeakPolarHBondContact CA-O 3.44Å
228H93.3Very high83.8Confident92 Ų9264.4 Ų64.443%0.42634%0.344SS..EExtended strand (participates in β ladder)trans-116119.6172.5-172.8-91.7000109.2L244H228-L244 HydrophobicContact CB-CB 4.48Å; H228-L244 PolarHBondContact N-O 2.74Å; H228-L244 PolarHBondContact O-N 3.33Å
229F92.7Very high84.5Confident19 Ų1959 Ų598%0.08332%0.319CS..EExtended strand (participates in β ladder)trans-99.9127.3177.9-56.7-26.2000109.7M206 M207 G208 W210 F241 T242 I243 L315M206-F229 WeakPolarHBondContact O-CD2 2.96Å; M207-F229 HydrophobicContact CE-CB 3.9Å; M207-F229 HydrophobicContact SD-CB 4.09Å; G208-F229 PolarHBondContact N-O 3.44Å; G208-F229 PolarHBondContact O-N 3.34Å; W210-F229 AromaticContact CD1-CD2 3.4Å; W210-F229 AromaticContact CD1-CE2 3.46Å; W210-F229 VanDerWaalsContact CD1-CE2 3.46Å; W210-F229 HydrophobicContact CG-CD2 4.48Å; W210-F229 HydrophobicContact CG-CE2 4.19Å; W210-F229 AromaticContact NE1-CD2 3.45Å; W210-F229 AromaticContact NE1-CE2 3.68Å; F229-F241 HydrophobicContact CB-CD2 4.17Å; F229-F241 HydrophobicContact CD1-CD2 4.39Å; F229-F241 HydrophobicContact CD1-CE2 4.13Å; F229-F241 HydrophobicContact CG-CD2 4.29Å; F229-F241 HydrophobicContact CG-CE2 4.17Å; F229-T242 WeakPolarHBondContact CA-O 3.37Å; F229-I243 HydrophobicContact CD1-CB 4.25Å; F229-I243 HydrophobicContact CD1-CG1 3.76Å; F229-I243 HydrophobicContact CD1-CG2 4.02Å; F229-I243 HydrophobicContact CE1-CB 4.36Å; F229-I243 HydrophobicContact CE1-CD1 4.4Å; F229-I243 HydrophobicContact CE1-CG1 3.88Å; F229-I243 HydrophobicContact CE1-CG2 3.77Å; F229-L315 HydrophobicContact CE2-CD1 4.2Å; F229-L315 HydrophobicContact CZ-CD1 4.08Å
230G91.7Very high85.3Confident15 Ų1557.6 Ų57.616%0.15531%0.311CS..EExtended strand (participates in β ladder)trans-153.3-171.7-175.100000113.1L232 F241 T242G230-L232 PolarHBondContact O-N 2.94Å; G230-F241 WeakPolarHBondContact O-CA 3.48Å; G230-F241 WeakPolarHBondContact O-CB 3.46Å; G230-T242 PolarHBondContact N-O 2.83Å; G230-T242 PolarHBondContact O-N 3.45Å; G230-T242 PolarHBondContact O-OG1 2.79Å; G230-T242 VanDerWaalsContact O-OG1 3.11Å
231A88.8Confident86.1Confident72 Ų7256.6 Ų56.660%0.59531%0.306SS*.EExtended strand (participates in β ladder)trans48.644.2-179.700000113.2T233 T242A231-T233 PolarHBondContact O-N 3.36Å; A231-T242 HydrophobicContact CB-CG2 3.86Å; A231-T242 WeakPolarHBondContact CB-OG1 3.21Å
232L88.9Confident86.6Confident50 Ų5051.4 Ų51.426%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-64.7120.2-179.1-179.960.5000110.4V203 E204 M207 G230 N234 A239 T240 F241V203-L232 HydrophobicContact CB-CD1 4.46Å; V203-L232 HydrophobicContact CG1-CD1 3.59Å; V203-L232 HydrophobicContact CG1-CD2 4.39Å; E204-L232 HydrophobicContact CB-CD2 4.22Å; M207-L232 HydrophobicContact CE-CD1 4.44Å; M207-L232 HydrophobicContact CG-CB 4.02Å; M207-L232 HydrophobicContact CG-CD2 3.89Å; M207-L232 HydrophobicContact CG-CG 4.48Å; M207-L232 HydrophobicContact SD-CB 3.77Å; M207-L232 HydrophobicContact SD-CD1 4.42Å; M207-L232 HydrophobicContact SD-CD2 4.4Å; M207-L232 HydrophobicContact SD-CG 4.42Å; G230-L232 PolarHBondContact O-N 2.94Å; L232-N234 HydrophobicContact CD1-CB 4.3Å; L232-N234 HydrophobicContact CD2-CB 4.35Å; L232-N234 HydrophobicContact CG-CB 4.12Å; L232-A239 HydrophobicContact CD1-CB 4.19Å; L232-T240 CarbonylContact C-O 3.57Å; L232-T240 WeakPolarHBondContact CA-O 3.5Å; L232-F241 HydrophobicContact CD1-CB 4.36Å
233T88.2Confident87Confident80 Ų8050.6 Ų50.649%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-110.1106.7164.5-550000107.3A231 A239 T240A231-T233 PolarHBondContact O-N 3.36Å; T233-A239 CarbonylContact O-C 3.57Å; T233-A239 WeakPolarHBondContact O-CA 3.46Å; T233-T240 WeakPolarHBondContact CB-OG1 3.46Å; T233-T240 PolarHBondContact N-O 2.92Å; T233-T240 PolarHBondContact O-N 2.9Å
234N84.3Confident87.3Confident89 Ų8952.4 Ų52.448%0.47630%0.298SS..EExtended strand (participates in β ladder)trans-111.3121.8-175.7-169.216000110.4L232L232-N234 HydrophobicContact CD1-CB 4.3Å; L232-N234 HydrophobicContact CD2-CB 4.35Å; L232-N234 HydrophobicContact CG-CB 4.12Å
235N79.1Confident87.4Confident99 Ų9953 Ų5353%0.52930%0.3SS..  trans-116.9166.8175.4-66.5-9.1000109.5Y237 S238N235-Y237 PolarHBondContact O-N 2.95Å; N235-S238 WeakPolarHBondContact CA-O 3.29Å; N235-S238 PolarHBondContact N-O 3.37Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 VanDerWaalsContact O-O 3.14Å
236S73.9Confident87.4Confident117 Ų11755.3 Ų55.382%0.81831%0.309SS*.SBendtrans-55.9-21.8-176.5-46.70000115.2
237Y71.7Confident87.3Confident199 Ų19956.4 Ų56.478%0.7831%0.313SS*.SBendtrans-123.7-14.8-175.7-61.7-73.3000114.8N235 G267N235-Y237 PolarHBondContact O-N 2.95Å; Y237-G267 PolarHBondContact O-N 3.44Å
238S81.3Confident87.2Confident48 Ų4857.8 Ų57.834%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-149.2145.1-171.659.20000110.8N235 K265N235-S238 WeakPolarHBondContact CA-O 3.29Å; N235-S238 PolarHBondContact N-O 3.37Å; N235-S238 PolarHBondContact O-N 2.84Å; N235-S238 VanDerWaalsContact O-O 3.14Å; S238-K265 WeakPolarHBondContact CA-O 3.22Å
239A84.7Confident86.8Confident2 Ų257.7 Ų57.72%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-129.3140.2171.300000109.8V203 L232 T233 F264 K265V203-A239 HydrophobicContact CB-CB 4.3Å; V203-A239 HydrophobicContact CG1-CB 3.96Å; V203-A239 HydrophobicContact CG2-CB 4.03Å; L232-A239 HydrophobicContact CD1-CB 4.19Å; T233-A239 CarbonylContact O-C 3.57Å; T233-A239 WeakPolarHBondContact O-CA 3.46Å; A239-F264 CarbonylContact O-C 3.59Å; A239-F264 WeakPolarHBondContact O-CA 3.35Å; A239-K265 HydrophobicContact CB-CB 4.18Å; A239-K265 PolarHBondContact N-O 3.28Å; A239-K265 VanDerWaalsContact N-O 3.09Å; A239-K265 PolarHBondContact O-N 2.76Å
240T89.7Confident86.4Confident46 Ų4659.1 Ų59.128%0.28234%0.336SS..EExtended strand (participates in β ladder)trans-127.1140.8176.368.60000109.8L232 T233 G263 F264L232-T240 CarbonylContact C-O 3.57Å; L232-T240 WeakPolarHBondContact CA-O 3.5Å; T233-T240 WeakPolarHBondContact CB-OG1 3.46Å; T233-T240 PolarHBondContact N-O 2.92Å; T233-T240 PolarHBondContact O-N 2.9Å; T240-G263 VanDerWaalsContact CA-O 3.29Å; T240-G263 WeakPolarHBondContact CA-O 3.38Å; T240-F264 HydrophobicContact CG2-CD1 3.35Å; T240-F264 HydrophobicContact CG2-CE1 3.72Å; T240-F264 HydrophobicContact CG2-CG 4.43Å
241F91.4Very high86Confident12 Ų1262.7 Ų62.75%0.05335%0.351CS..EExtended strand (participates in β ladder)trans-147.8156.8179.561-83.9000110.4M207 F229 G230 L232 I243 Y262 G263 F272M207-F241 HydrophobicContact CE-CB 3.99Å; M207-F241 HydrophobicContact CE-CD1 4.4Å; M207-F241 HydrophobicContact CE-CD2 4.27Å; M207-F241 HydrophobicContact CE-CG 3.98Å; M207-F241 HydrophobicContact SD-CB 4.06Å; F229-F241 HydrophobicContact CB-CD2 4.17Å; F229-F241 HydrophobicContact CD1-CD2 4.39Å; F229-F241 HydrophobicContact CD1-CE2 4.13Å; F229-F241 HydrophobicContact CG-CD2 4.29Å; F229-F241 HydrophobicContact CG-CE2 4.17Å; G230-F241 WeakPolarHBondContact O-CA 3.48Å; G230-F241 WeakPolarHBondContact O-CB 3.46Å; L232-F241 HydrophobicContact CD1-CB 4.36Å; F241-I243 HydrophobicContact CD2-CD1 4.43Å; F241-I243 HydrophobicContact CD2-CG1 3.82Å; F241-I243 HydrophobicContact CE2-CD1 3.72Å; F241-I243 HydrophobicContact CE2-CG1 3.51Å; F241-I243 HydrophobicContact CZ-CD1 4.41Å; F241-Y262 CarbonylContact O-C 3.52Å; F241-Y262 VanDerWaalsContact O-CA 3.28Å; F241-Y262 WeakPolarHBondContact O-CA 3.2Å; F241-G263 PolarHBondContact N-O 3.36Å; F241-G263 PolarHBondContact O-N 3.09Å; F241-F272 AromaticContact CE1-CD1 3.61Å; F241-F272 HydrophobicContact CE1-CD1 3.61Å; F241-F272 AromaticContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CG 4.49Å; F241-F272 HydrophobicContact CZ-CD1 4.13Å; F241-F272 HydrophobicContact CZ-CE1 4.47Å
242T91.6Very high85.8Confident68 Ų6860.7 Ų60.742%0.41733%0.331SS..EExtended strand (participates in β ladder)trans-94.2147.5174.358.60000110.6F229 G230 A231F229-T242 WeakPolarHBondContact CA-O 3.37Å; G230-T242 PolarHBondContact N-O 2.83Å; G230-T242 PolarHBondContact O-N 3.45Å; G230-T242 PolarHBondContact O-OG1 2.79Å; G230-T242 VanDerWaalsContact O-OG1 3.11Å; A231-T242 HydrophobicContact CB-CG2 3.86Å; A231-T242 WeakPolarHBondContact CB-OG1 3.21Å
243I91.6Very high85.6Confident10 Ų1066.5 Ų66.55%0.05136%0.357CS..EExtended strand (participates in β ladder)trans-120.1124.2178.7-58.4164.7000107.7F229 F241 L260 G261 I274F229-I243 HydrophobicContact CD1-CB 4.25Å; F229-I243 HydrophobicContact CD1-CG1 3.76Å; F229-I243 HydrophobicContact CD1-CG2 4.02Å; F229-I243 HydrophobicContact CE1-CB 4.36Å; F229-I243 HydrophobicContact CE1-CD1 4.4Å; F229-I243 HydrophobicContact CE1-CG1 3.88Å; F229-I243 HydrophobicContact CE1-CG2 3.77Å; F241-I243 HydrophobicContact CD2-CD1 4.43Å; F241-I243 HydrophobicContact CD2-CG1 3.82Å; F241-I243 HydrophobicContact CE2-CD1 3.72Å; F241-I243 HydrophobicContact CE2-CG1 3.51Å; F241-I243 HydrophobicContact CZ-CD1 4.41Å; I243-L260 CarbonylContact O-C 3.57Å; I243-L260 WeakPolarHBondContact O-CA 3.35Å; I243-G261 PolarHBondContact N-O 3.05Å; I243-G261 PolarHBondContact O-N 2.85Å; I243-I274 HydrophobicContact CD1-CB 4.48Å; I243-I274 HydrophobicContact CD1-CD1 4.06Å; I243-I274 HydrophobicContact CD1-CG1 4.23Å; I243-I274 HydrophobicContact CD1-CG2 3.55Å
244L90.6Very high85.4Confident54 Ų5463.2 Ų63.228%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-113.7117.7166.5172.162.6000108S227 H228 F246 F258 L260S227-L244 CarbonylContact C-O 3.45Å; S227-L244 WeakPolarHBondContact CA-O 3.44Å; H228-L244 HydrophobicContact CB-CB 4.48Å; H228-L244 PolarHBondContact N-O 2.74Å; H228-L244 PolarHBondContact O-N 3.33Å; L244-F246 HydrophobicContact CD1-CE2 3.9Å; L244-F246 HydrophobicContact CD1-CZ 3.86Å; L244-F246 HydrophobicContact CD2-CE2 3.53Å; L244-F246 HydrophobicContact CD2-CZ 3.81Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.49Å; L244-F246 VanDerWaalsContact CG-CE2 3.49Å; L244-F246 HydrophobicContact CG-CZ 3.92Å; L244-F258 HydrophobicContact CD1-CD2 4.45Å; L244-L260 HydrophobicContact CB-CD2 4.3Å; L244-L260 HydrophobicContact CD1-CD2 3.56Å; L244-L260 HydrophobicContact CD1-CG 4.42Å; L244-L260 HydrophobicContact CG-CD2 4.48Å
245K90.3Very high85.6Confident19 Ų1962.3 Ų62.38%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-116.1130.9-176.3-175.8-175.7-178.9-171.30110.1E222 S225 V226 Y247 F258 A259E222-K245 IonicContact OE1-NZ 2.54Å; E222-K245 PolarHBondContact OE1-NZ 3.23Å; E222-K245 WeakPolarHBondContact OE2-CE 3.46Å; E222-K245 IonicContact OE2-NZ 2.87Å; E222-K245 PolarHBondContact OE2-NZ 3.3Å; S225-K245 WeakPolarHBondContact OG-CE 3.38Å; V226-K245 CarbonylContact O-C 3.52Å; V226-K245 WeakPolarHBondContact O-CA 3.35Å; K245-Y247 HydrophobicContact CD-CD1 4.37Å; K245-Y247 HydrophobicContact CG-CD1 4.25Å; K245-F258 CarbonylContact O-C 3.6Å; K245-F258 WeakPolarHBondContact O-CA 3.42Å; K245-A259 HydrophobicContact CB-CB 4.44Å; K245-A259 PolarHBondContact N-O 2.7Å; K245-A259 PolarHBondContact O-N 3.14Å
246F89.6Confident86Confident51 Ų5162.5 Ų62.522%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-112.9137.8170.2-66.3-83.2000109.3S225 V226 L244 R257 F258 F364S225-F246 CarbonylContact C-O 3.56Å; S225-F246 WeakPolarHBondContact CA-O 3.22Å; V226-F246 PolarHBondContact N-O 3.49Å; V226-F246 PolarHBondContact O-N 3.13Å; L244-F246 HydrophobicContact CD1-CE2 3.9Å; L244-F246 HydrophobicContact CD1-CZ 3.86Å; L244-F246 HydrophobicContact CD2-CE2 3.53Å; L244-F246 HydrophobicContact CD2-CZ 3.81Å; L244-F246 HydrophobicContact CG-CD2 4.26Å; L244-F246 HydrophobicContact CG-CE2 3.49Å; L244-F246 VanDerWaalsContact CG-CE2 3.49Å; L244-F246 HydrophobicContact CG-CZ 3.92Å; F246-R257 WeakPolarHBondContact CA-O 3.34Å; F246-F258 HydrophobicContact CD1-CB 3.66Å; F246-F258 HydrophobicContact CE1-CB 3.62Å; F246-F258 HydrophobicContact CE1-CG 4.4Å; F246-F258 HydrophobicContact CG-CB 4.49Å; F246-F258 HydrophobicContact CZ-CB 4.44Å; F246-F364 HydrophobicContact CD1-CE2 4.2Å; F246-F364 HydrophobicContact CD1-CZ 4.05Å; F246-F364 HydrophobicContact CD2-CD1 4.14Å; F246-F364 AromaticContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE2 4.42Å; F246-F364 AromaticContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CE1-CE1 4.19Å; F246-F364 HydrophobicContact CE1-CE2 4.08Å; F246-F364 AromaticContact CE1-CZ 3.53Å; F246-F364 HydrophobicContact CE1-CZ 3.53Å; F246-F364 AromaticContact CE2-CD1 3.88Å; F246-F364 HydrophobicContact CE2-CD1 3.88Å; F246-F364 AromaticContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE2 4.28Å; F246-F364 AromaticContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CE2-CZ 3.42Å; F246-F364 VanDerWaalsContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CG-CE2 4.38Å; F246-F364 HydrophobicContact CG-CZ 4.26Å; F246-F364 HydrophobicContact CZ-CD1 4.47Å; F246-F364 AromaticContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE1 3.41Å; F246-F364 VanDerWaalsContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE2 4.12Å; F246-F364 AromaticContact CZ-CZ 3.18Å; F246-F364 HydrophobicContact CZ-CZ 3.18Å
247Y89.4Confident86.7Confident31 Ų3162.7 Ų62.712%0.12233%0.327CS..EExtended strand (participates in β ladder)trans-156.1167.5179.763.1-84.9000110.6E222 K245 R257 A259E222-Y247 HydrophobicContact CB-CD2 3.84Å; E222-Y247 HydrophobicContact CB-CG 4.22Å; E222-Y247 HydrophobicContact CG-CD2 3.41Å; E222-Y247 VanDerWaalsContact CG-CD2 3.41Å; E222-Y247 HydrophobicContact CG-CE2 3.74Å; E222-Y247 HydrophobicContact CG-CG 3.96Å; K245-Y247 HydrophobicContact CD-CD1 4.37Å; K245-Y247 HydrophobicContact CG-CD1 4.25Å; Y247-R257 HydrophobicContact CD1-CB 4.36Å; Y247-R257 HydrophobicContact CD2-CB 4.14Å; Y247-R257 HydrophobicContact CE1-CB 3.9Å; Y247-R257 HydrophobicContact CE2-CB 3.68Å; Y247-R257 HydrophobicContact CE2-CG 4.09Å; Y247-R257 HydrophobicContact CG-CB 4.48Å; Y247-R257 PolarHBondContact N-O 3.24Å; Y247-R257 PolarHBondContact O-N 3.17Å; Y247-A259 HydrophobicContact CE1-CB 4.13Å
248R88.1Confident87.5Confident41 Ų4159.6 Ų59.616%0.15532%0.318CS..EExtended strand (participates in β ladder)trans-105.2132.8167.4-69.7-172.2167.287.20.9109.9E222 A223 N251 V252 G254 Q359E222-R248 WeakPolarHBondContact CA-O 3.29Å; A223-R248 HydrophobicContact CB-CB 4.47Å; A223-R248 PolarHBondContact N-O 2.75Å; A223-R248 PolarHBondContact O-N 2.78Å; R248-N251 VanDerWaalsContact CB-O 3.28Å; R248-N251 WeakPolarHBondContact CB-O 3.4Å; R248-V252 WeakPolarHBondContact CD-O 3.45Å; R248-V252 PolarHBondContact NE-O 3Å; R248-G254 WeakPolarHBondContact CD-O 3.4Å; R248-Q359 PolarHBondContact NH1-O 2.93Å; R248-Q359 PolarHBondContact NH2-O 3.06Å
249E86Confident87.8Confident90 Ų9057.4 Ų57.442%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-75.2126.2-176.4-169.3171.8-170.700110.8N251 G254 P255 R257E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 3.13Å; E249-G254 WeakPolarHBondContact O-CA 3.17Å; E249-P255 HydrophobicContact CB-CG 4.26Å; E249-P255 PolarHBondContact N-O 2.87Å; E249-R257 HydrophobicContact CB-CG 4.08Å; E249-R257 IonicContact OE2-CZ 3.93Å; E249-R257 IonicContact OE2-NE 3.09Å; E249-R257 PolarHBondContact OE2-NE 2.99Å; E249-R257 IonicContact OE2-NH2 3.43Å; E249-R257 PolarHBondContact OE2-NH2 2.94Å; E249-R257 VanDerWaalsContact OE2-NH2 3.09Å
250G83Confident88Confident49 Ų4962 Ų6251%0.50533%0.327SS..SBendtrans81.6-57.7176.600000115.1R221R221-G250 WeakPolarHBondContact O-CA 3.38Å; R221-G250 PolarHBondContact O-N 2.51Å
251N83.9Confident87.9Confident90 Ų9060.3 Ų60.348%0.48132%0.318SS..SBendtrans-151.1179.1-176.966.847.8000112.5R248 E249 H253 G254R248-N251 VanDerWaalsContact CB-O 3.28Å; R248-N251 WeakPolarHBondContact CB-O 3.4Å; E249-N251 VanDerWaalsContact C-N 3.31Å; E249-N251 PolarHBondContact O-N 3.13Å; N251-H253 PolarHBondContact O-N 2.79Å; N251-H253 VanDerWaalsContact OD1-CA 3.31Å; N251-H253 WeakPolarHBondContact OD1-CA 3.49Å; N251-H253 WeakPolarHBondContact OD1-CB 3.46Å; N251-H253 PolarHBondContact OD1-N 2.76Å; N251-G254 PolarHBondContact O-N 2.93Å; N251-G254 PolarHBondContact OD1-N 3.41Å
252V84Confident87.8Confident29 Ų2965.1 Ų65.118%0.17634%0.336CS..THydrogen-bonded Turntrans-63.3-21.6-177.6-179.50000113.4A223 R248 E357A223-V252 HydrophobicContact CB-CG2 3.96Å; R248-V252 WeakPolarHBondContact CD-O 3.45Å; R248-V252 PolarHBondContact NE-O 3Å; V252-E357 HydrophobicContact CG1-CB 3.8Å; V252-E357 WeakPolarHBondContact CG1-O 3.28Å
253H84.6Confident87.6Confident173 Ų17361.9 Ų61.980%0.80132%0.317SS*.THydrogen-bonded Turntrans-98.61.6175.1-56.8-59.5000113.2N251N251-H253 PolarHBondContact O-N 2.79Å; N251-H253 VanDerWaalsContact OD1-CA 3.31Å; N251-H253 WeakPolarHBondContact OD1-CA 3.49Å; N251-H253 WeakPolarHBondContact OD1-CB 3.46Å; N251-H253 PolarHBondContact OD1-N 2.76Å
254G84.8Confident87.3Confident10 Ų1064.9 Ų64.910%0.10333%0.33CS..SBendtrans-63.5161.1179.100000112.7R248 E249 N251R248-G254 WeakPolarHBondContact CD-O 3.4Å; E249-G254 WeakPolarHBondContact O-CA 3.17Å; N251-G254 PolarHBondContact O-N 2.93Å; N251-G254 PolarHBondContact OD1-N 3.41Å
255P87.5Confident87Confident70 Ų7063.2 Ų63.246%0.45532%0.32SS..PPolyproline II helixtrans-61.1138.7175.527.1-33.7000109.9E249 R257E249-P255 HydrophobicContact CB-CG 4.26Å; E249-P255 PolarHBondContact N-O 2.87Å; P255-R257 PolarHBondContact O-N 3.31Å
256P87.7Confident86.2Confident103 Ų10368 Ų6867%0.66935%0.345SS*.EExtended strand (participates in β ladder)trans-67.3135174.428.9-33.6000109.9
257R89.7Confident85.2Confident122 Ų12267 Ų6746%0.4635%0.349SS..EExtended strand (participates in β ladder)trans-127.8160.7176.2-61.8-61.2-167.5177.83.1109.5F246 Y247 E249 P255F246-R257 WeakPolarHBondContact CA-O 3.34Å; Y247-R257 HydrophobicContact CD1-CB 4.36Å; Y247-R257 HydrophobicContact CD2-CB 4.14Å; Y247-R257 HydrophobicContact CE1-CB 3.9Å; Y247-R257 HydrophobicContact CE2-CB 3.68Å; Y247-R257 HydrophobicContact CE2-CG 4.09Å; Y247-R257 HydrophobicContact CG-CB 4.48Å; Y247-R257 PolarHBondContact N-O 3.24Å; Y247-R257 PolarHBondContact O-N 3.17Å; E249-R257 HydrophobicContact CB-CG 4.08Å; E249-R257 IonicContact OE2-CZ 3.93Å; E249-R257 IonicContact OE2-NE 3.09Å; E249-R257 PolarHBondContact OE2-NE 2.99Å; E249-R257 IonicContact OE2-NH2 3.43Å; E249-R257 PolarHBondContact OE2-NH2 2.94Å; E249-R257 VanDerWaalsContact OE2-NH2 3.09Å; P255-R257 PolarHBondContact O-N 3.31Å
258F88.5Confident84.2Confident134 Ų13472.9 Ų72.959%0.58838%0.375SS*.EExtended strand (participates in β ladder)trans-132.3150.7168.271.8-86.3000110.2L244 K245 F246 L260L244-F258 HydrophobicContact CD1-CD2 4.45Å; K245-F258 CarbonylContact O-C 3.6Å; K245-F258 WeakPolarHBondContact O-CA 3.42Å; F246-F258 HydrophobicContact CD1-CB 3.66Å; F246-F258 HydrophobicContact CE1-CB 3.62Å; F246-F258 HydrophobicContact CE1-CG 4.4Å; F246-F258 HydrophobicContact CG-CB 4.49Å; F246-F258 HydrophobicContact CZ-CB 4.44Å; F258-L260 HydrophobicContact CD2-CG 4.5Å; F258-L260 HydrophobicContact CE2-CD1 4.5Å
259A86.8Confident83.6Confident1 Ų172.8 Ų72.81%0.00838%0.378CS..EExtended strand (participates in β ladder)trans-129.914317300000109.4K245 Y247 N278K245-A259 HydrophobicContact CB-CB 4.44Å; K245-A259 PolarHBondContact N-O 2.7Å; K245-A259 PolarHBondContact O-N 3.14Å; Y247-A259 HydrophobicContact CE1-CB 4.13Å; A259-N278 HydrophobicContact CB-CB 4.41Å
260L89.1Confident83.3Confident100 Ų10068.5 Ų68.552%0.52436%0.358SS..EExtended strand (participates in β ladder)trans-109.5139.2174.6-71.5170.6000108.6I243 L244 F258 N276 S277I243-L260 CarbonylContact O-C 3.57Å; I243-L260 WeakPolarHBondContact O-CA 3.35Å; L244-L260 HydrophobicContact CB-CD2 4.3Å; L244-L260 HydrophobicContact CD1-CD2 3.56Å; L244-L260 HydrophobicContact CD1-CG 4.42Å; L244-L260 HydrophobicContact CG-CD2 4.48Å; F258-L260 HydrophobicContact CD2-CG 4.5Å; F258-L260 HydrophobicContact CE2-CD1 4.5Å; L260-N276 PolarHBondContact O-OD1 3.25Å; L260-S277 PolarHBondContact N-OG 3.17Å; L260-S277 VanDerWaalsContact N-OG 3.09Å; L260-S277 VanDerWaalsContact O-CB 3.27Å; L260-S277 WeakPolarHBondContact O-CB 3.48Å; L260-S277 PolarHBondContact O-N 3.13Å; L260-S277 PolarHBondContact O-OG 2.94Å
261G88.5Confident83.3Confident10 Ų1067.6 Ų67.610%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-150176.5-17900000112.5I243 H275I243-G261 PolarHBondContact N-O 3.05Å; I243-G261 PolarHBondContact O-N 2.85Å; G261-H275 CarbonylContact C-O 3.56Å; G261-H275 WeakPolarHBondContact CA-O 3.42Å
262Y88.8Confident83.4Confident112 Ų11263.9 Ų63.944%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-145.3143.517558.5-77.6000109.6F241 F264 H275F241-Y262 CarbonylContact O-C 3.52Å; F241-Y262 VanDerWaalsContact O-CA 3.28Å; F241-Y262 WeakPolarHBondContact O-CA 3.2Å; Y262-F264 HydrophobicContact CD2-CD2 4.14Å; Y262-F264 HydrophobicContact CD2-CE1 4.39Å; Y262-F264 AromaticContact CD2-CE2 3.16Å; Y262-F264 HydrophobicContact CD2-CE2 3.16Å; Y262-F264 AromaticContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CE2-CD2 4.33Å; Y262-F264 AromaticContact CE2-CE2 3.13Å; Y262-F264 HydrophobicContact CE2-CE2 3.13Å; Y262-F264 AromaticContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CG-CE2 4.48Å; Y262-H275 HydrophobicContact CD1-CB 3.86Å; Y262-H275 HydrophobicContact CD2-CB 4.34Å; Y262-H275 HydrophobicContact CE1-CB 3.4Å; Y262-H275 HydrophobicContact CE2-CB 3.98Å; Y262-H275 AromaticContact CE2-CD2 3.58Å; Y262-H275 AromaticContact CE2-CG 3.83Å; Y262-H275 HydrophobicContact CG-CB 4.28Å; Y262-H275 VanDerWaalsContact CZ-CB 3.44Å; Y262-H275 AromaticContact CZ-CD2 3.79Å; Y262-H275 AromaticContact CZ-CG 3.52Å; Y262-H275 PolarHBondContact N-O 3.39Å; Y262-H275 PolarHBondContact O-N 3.13Å
263G87.5Confident83.5Confident0 Ų064.7 Ų64.70%033%0.327CS..EExtended strand (participates in β ladder)trans-119.7142.5-178.600000111.4T240 F241 T273T240-G263 VanDerWaalsContact CA-O 3.29Å; T240-G263 WeakPolarHBondContact CA-O 3.38Å; F241-G263 PolarHBondContact N-O 3.36Å; F241-G263 PolarHBondContact O-N 3.09Å; G263-T273 CarbonylContact C-O 3.6Å; G263-T273 WeakPolarHBondContact CA-O 3.33Å
264F85.8Confident83.6Confident74 Ų7458 Ų5833%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-120135.2171.9-55.4-90.7000110.9A239 T240 Y262 F272 T273 H275A239-F264 CarbonylContact O-C 3.59Å; A239-F264 WeakPolarHBondContact O-CA 3.35Å; T240-F264 HydrophobicContact CG2-CD1 3.35Å; T240-F264 HydrophobicContact CG2-CE1 3.72Å; T240-F264 HydrophobicContact CG2-CG 4.43Å; Y262-F264 HydrophobicContact CD2-CD2 4.14Å; Y262-F264 HydrophobicContact CD2-CE1 4.39Å; Y262-F264 AromaticContact CD2-CE2 3.16Å; Y262-F264 HydrophobicContact CD2-CE2 3.16Å; Y262-F264 AromaticContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CD2-CZ 3.29Å; Y262-F264 HydrophobicContact CE2-CD2 4.33Å; Y262-F264 AromaticContact CE2-CE2 3.13Å; Y262-F264 HydrophobicContact CE2-CE2 3.13Å; Y262-F264 AromaticContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CE2-CZ 3.35Å; Y262-F264 HydrophobicContact CG-CE2 4.48Å; F264-F272 CarbonylContact O-C 3.55Å; F264-F272 WeakPolarHBondContact O-CA 3.46Å; F264-T273 PolarHBondContact N-O 2.87Å; F264-T273 PolarHBondContact O-N 3.09Å; F264-H275 AromaticContact CE2-CD2 3.74Å; F264-H275 AromaticContact CE2-NE2 3.92Å
265K84.4Confident83.6Confident19 Ų1959.9 Ų59.98%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-109.2131167.1-170179.2-177.5-760109.1V203 S238 A239 G267 K268 N269 F272V203-K265 HydrophobicContact CG2-CD 3.42Å; V203-K265 VanDerWaalsContact CG2-CD 3.42Å; S238-K265 WeakPolarHBondContact CA-O 3.22Å; A239-K265 HydrophobicContact CB-CB 4.18Å; A239-K265 PolarHBondContact N-O 3.28Å; A239-K265 VanDerWaalsContact N-O 3.09Å; A239-K265 PolarHBondContact O-N 2.76Å; K265-G267 PolarHBondContact NZ-O 3.01Å; K265-K268 PolarHBondContact NZ-O 3.42Å; K265-N269 WeakPolarHBondContact CE-O 3.22Å; K265-N269 PolarHBondContact NZ-O 2.82Å; K265-F272 HydrophobicContact CB-CD1 3.64Å; K265-F272 HydrophobicContact CB-CE1 3.67Å; K265-F272 HydrophobicContact CD-CD1 4.37Å; K265-F272 HydrophobicContact CD-CE1 3.67Å; K265-F272 HydrophobicContact CD-CZ 3.99Å; K265-F272 HydrophobicContact CG-CD1 4.12Å; K265-F272 HydrophobicContact CG-CE1 3.93Å
266I71.7Confident83.3Confident120 Ų12057.9 Ų57.962%0.61529%0.289SS*.EExtended strand (participates in β ladder)trans-123.6127.4171.7-58.6176000108.4
267G69.4Low82.9Confident29 Ų2957.1 Ų57.130%0.29929%0.285SS..SBendtrans86.8-169.9176.900000114.3Y237 K265Y237-G267 PolarHBondContact O-N 3.44Å; K265-G267 PolarHBondContact NZ-O 3.01Å
268K67.7Low82.2Confident154 Ų15454.9 Ų54.967%0.6728%0.283SS*.SBendtrans-83.4-28-170.5-68-174.1179179.60113K265K265-K268 PolarHBondContact NZ-O 3.42Å
269N76Confident81.5Confident40 Ų4049.9 Ų49.921%0.21427%0.265CS..SBendtrans-75.5158.7-174.4-66.217.2000112.5E192 A198 K265 T271E192-N269 WeakPolarHBondContact CG-ND2 3.22Å; A198-N269 HydrophobicContact CB-CB 4.04Å; K265-N269 WeakPolarHBondContact CE-O 3.22Å; K265-N269 PolarHBondContact NZ-O 2.82Å; N269-T271 PolarHBondContact O-N 2.89Å
270G79.1Confident80.7Confident0 Ų055.6 Ų55.60%030%0.301CS..SBendtrans-74.130179.600000116.4A199 F272 V287A199-G270 WeakPolarHBondContact O-CA 3.07Å; A199-G270 PolarHBondContact O-N 3.07Å; G270-F272 WeakPolarHBondContact O-CD2 3.47Å; G270-V287 PolarHBondContact O-N 2.79Å
271T84.1Confident80Confident30 Ų3053.1 Ų53.118%0.18429%0.289CS..EExtended strand (participates in β ladder)trans-99.7130.8-179.5-56.30000110.3N269 F285 T286N269-T271 PolarHBondContact O-N 2.89Å; T271-F285 CarbonylContact C-O 3.6Å; T271-F285 WeakPolarHBondContact CA-O 3.37Å; T271-T286 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T286 PolarHBondContact OG1-OG1 3.43Å
272F86.6Confident79.5Confident11 Ų1154 Ų545%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-122.3143-179.6-58-88.5000109.4I201 V203 F241 F264 K265 G270 I274 P284 F285 V287I201-F272 HydrophobicContact CD1-CE2 3.48Å; I201-F272 VanDerWaalsContact CD1-CE2 3.48Å; I201-F272 HydrophobicContact CD1-CZ 3.87Å; V203-F272 HydrophobicContact CG1-CE1 4.46Å; V203-F272 HydrophobicContact CG2-CE1 4.5Å; F241-F272 AromaticContact CE1-CD1 3.61Å; F241-F272 HydrophobicContact CE1-CD1 3.61Å; F241-F272 AromaticContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CE1 3.83Å; F241-F272 HydrophobicContact CE1-CG 4.49Å; F241-F272 HydrophobicContact CZ-CD1 4.13Å; F241-F272 HydrophobicContact CZ-CE1 4.47Å; F264-F272 CarbonylContact O-C 3.55Å; F264-F272 WeakPolarHBondContact O-CA 3.46Å; K265-F272 HydrophobicContact CB-CD1 3.64Å; K265-F272 HydrophobicContact CB-CE1 3.67Å; K265-F272 HydrophobicContact CD-CD1 4.37Å; K265-F272 HydrophobicContact CD-CE1 3.67Å; K265-F272 HydrophobicContact CD-CZ 3.99Å; K265-F272 HydrophobicContact CG-CD1 4.12Å; K265-F272 HydrophobicContact CG-CE1 3.93Å; G270-F272 WeakPolarHBondContact O-CD2 3.47Å; F272-I274 HydrophobicContact CB-CG1 4.38Å; F272-P284 CarbonylContact O-C 3.43Å; F272-P284 WeakPolarHBondContact O-CA 3.41Å; F272-F285 PolarHBondContact N-O 2.91Å; F272-F285 PolarHBondContact O-N 3.06Å; F272-V287 HydrophobicContact CD2-CG2 4.29Å; F272-V287 HydrophobicContact CE2-CG2 3.84Å
273T86.4Confident78.9Confident46 Ų4652.4 Ų52.428%0.28229%0.292SS..EExtended strand (participates in β ladder)trans-100.7119.4165-57.30000107.5G263 F264 A282G263-T273 CarbonylContact C-O 3.6Å; G263-T273 WeakPolarHBondContact CA-O 3.33Å; F264-T273 PolarHBondContact N-O 2.87Å; F264-T273 PolarHBondContact O-N 3.09Å; T273-A282 HydrophobicContact CG2-CB 3.84Å
274I85.1Confident78.7Confident33 Ų3353.9 Ų53.917%0.16930%0.301CS..EExtended strand (participates in β ladder)trans-107.8134.6-177.4-61-175.5000109.5I243 F272 A282 E283 F285I243-I274 HydrophobicContact CD1-CB 4.48Å; I243-I274 HydrophobicContact CD1-CD1 4.06Å; I243-I274 HydrophobicContact CD1-CG1 4.23Å; I243-I274 HydrophobicContact CD1-CG2 3.55Å; F272-I274 HydrophobicContact CB-CG1 4.38Å; I274-A282 WeakPolarHBondContact O-CA 3.41Å; I274-E283 PolarHBondContact N-O 3.44Å; I274-E283 PolarHBondContact O-N 3.3Å; I274-F285 HydrophobicContact CB-CD2 4.06Å; I274-F285 HydrophobicContact CB-CE2 4.44Å; I274-F285 HydrophobicContact CD1-CB 4.36Å; I274-F285 HydrophobicContact CD1-CD2 3.65Å; I274-F285 HydrophobicContact CD1-CE2 4.38Å; I274-F285 HydrophobicContact CD1-CG 4.34Å; I274-F285 HydrophobicContact CG1-CD2 3.98Å
275H85.4Confident78.7Confident50 Ų5051.3 Ų51.323%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-113.9136.3168.9-62.3-97000108.2G261 Y262 F264 A282G261-H275 CarbonylContact C-O 3.56Å; G261-H275 WeakPolarHBondContact CA-O 3.42Å; Y262-H275 HydrophobicContact CD1-CB 3.86Å; Y262-H275 HydrophobicContact CD2-CB 4.34Å; Y262-H275 HydrophobicContact CE1-CB 3.4Å; Y262-H275 HydrophobicContact CE2-CB 3.98Å; Y262-H275 AromaticContact CE2-CD2 3.58Å; Y262-H275 AromaticContact CE2-CG 3.83Å; Y262-H275 HydrophobicContact CG-CB 4.28Å; Y262-H275 VanDerWaalsContact CZ-CB 3.44Å; Y262-H275 AromaticContact CZ-CD2 3.79Å; Y262-H275 AromaticContact CZ-CG 3.52Å; Y262-H275 PolarHBondContact N-O 3.39Å; Y262-H275 PolarHBondContact O-N 3.13Å; F264-H275 AromaticContact CE2-CD2 3.74Å; F264-H275 AromaticContact CE2-NE2 3.92Å; H275-A282 WeakPolarHBondContact CE1-CB 3.33Å
276N81.2Confident78.8Confident28 Ų2850.6 Ų50.615%0.1529%0.287CS..EExtended strand (participates in β ladder)trans-140.2143.4-175.4-150.332.2000110.1L260 N278 S279L260-N276 PolarHBondContact O-OD1 3.25Å; N276-N278 WeakPolarHBondContact CB-OD1 3.43Å; N276-N278 PolarHBondContact ND2-OD1 3Å; N276-N278 PolarHBondContact O-N 3.21Å; N276-S279 PolarHBondContact O-N 3.02Å
277S79.3Confident79.7Confident86 Ų8645 Ų4560%0.60126%0.259SS*.THydrogen-bonded Turntrans-66-12.5-173.464.60000114.2L260L260-S277 PolarHBondContact N-OG 3.17Å; L260-S277 VanDerWaalsContact N-OG 3.09Å; L260-S277 VanDerWaalsContact O-CB 3.27Å; L260-S277 WeakPolarHBondContact O-CB 3.48Å; L260-S277 PolarHBondContact O-N 3.13Å; L260-S277 PolarHBondContact O-OG 2.94Å
278N75.9Confident80.7Confident75 Ų7544.3 Ų44.340%0.40125%0.248SC..THydrogen-bonded Turntrans-93.1-6.4178.367.8-13.3000113.5A259 N276A259-N278 HydrophobicContact CB-CB 4.41Å; N276-N278 WeakPolarHBondContact CB-OD1 3.43Å; N276-N278 PolarHBondContact ND2-OD1 3Å; N276-N278 PolarHBondContact O-N 3.21Å
279S72Confident81.8Confident30 Ų3039 Ų3921%0.2123%0.225CC..EExtended strand (participates in β ladder)trans-136.5128.4178.3-176.40000109.7N276 D281N276-S279 PolarHBondContact O-N 3.02Å; S279-D281 PolarHBondContact O-N 3.11Å; S279-D281 PolarHBondContact OG-N 2.92Å
280P70.5Confident82.7Confident120 Ų12038.7 Ų38.778%0.77922%0.223SC*.EExtended strand (participates in β ladder)trans-67.7-18.4175.629.4-33.8000112.2
281D74.1Confident83.4Confident49 Ų4939.1 Ų39.126%0.26223%0.227SC..EExtended strand (participates in β ladder)trans-96.8144.3-170.3-60.9-55.3000112.4Y153 S279Y153-D281 HydrophobicContact CE1-CB 4.04Å; Y153-D281 HydrophobicContact CE2-CB 4.31Å; Y153-D281 VanDerWaalsContact CE2-CG 3.4Å; Y153-D281 WeakPolarHBondContact CE2-OD1 3.34Å; Y153-D281 WeakPolarHBondContact CE2-OD2 3.13Å; Y153-D281 PolarHBondContact OH-OD2 3.49Å; S279-D281 PolarHBondContact O-N 3.11Å; S279-D281 PolarHBondContact OG-N 2.92Å
282A78.2Confident83.9Confident29 Ų2940.4 Ų40.424%0.2424%0.237CC..EExtended strand (participates in β ladder)trans-82.7121.9174.600000109.9T273 I274 H275T273-A282 HydrophobicContact CG2-CB 3.84Å; I274-A282 WeakPolarHBondContact O-CA 3.41Å; H275-A282 WeakPolarHBondContact CE1-CB 3.33Å
283E77.5Confident84.2Confident78 Ų7843.7 Ų43.736%0.36425%0.254SS..EExtended strand (participates in β ladder)trans-106.5121.2-174.2-68.7177.2-168.800111I274 F285I274-E283 PolarHBondContact N-O 3.44Å; I274-E283 PolarHBondContact O-N 3.3Å; E283-F285 HydrophobicContact CB-CD2 4.12Å; E283-F285 HydrophobicContact CB-CE2 3.52Å; E283-F285 HydrophobicContact CB-CZ 4.08Å; E283-F285 PolarHBondContact O-N 3.35Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.37Å
284P82.2Confident84.3Confident31 Ų3142.5 Ų42.520%0.20125%0.245CC..EExtended strand (participates in β ladder)trans-79.5121.9173.730.6-31.5000110.7I154 F272I154-P284 HydrophobicContact CD1-CG 3.38Å; F272-P284 CarbonylContact O-C 3.43Å; F272-P284 WeakPolarHBondContact O-CA 3.41Å
285F85.1Confident84.6Confident20 Ų2049 Ų499%0.08828%0.275CS..EExtended strand (participates in β ladder)trans-117.4130.8175.6-74.5-68.4000110.8T271 F272 I274 E283 V304 F313T271-F285 CarbonylContact C-O 3.6Å; T271-F285 WeakPolarHBondContact CA-O 3.37Å; F272-F285 PolarHBondContact N-O 2.91Å; F272-F285 PolarHBondContact O-N 3.06Å; I274-F285 HydrophobicContact CB-CD2 4.06Å; I274-F285 HydrophobicContact CB-CE2 4.44Å; I274-F285 HydrophobicContact CD1-CB 4.36Å; I274-F285 HydrophobicContact CD1-CD2 3.65Å; I274-F285 HydrophobicContact CD1-CE2 4.38Å; I274-F285 HydrophobicContact CD1-CG 4.34Å; I274-F285 HydrophobicContact CG1-CD2 3.98Å; E283-F285 HydrophobicContact CB-CD2 4.12Å; E283-F285 HydrophobicContact CB-CE2 3.52Å; E283-F285 HydrophobicContact CB-CZ 4.08Å; E283-F285 PolarHBondContact O-N 3.35Å; E283-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E283-F285 WeakPolarHBondContact OE2-CZ 3.37Å; F285-V304 HydrophobicContact CB-CG1 3.66Å; F285-V304 HydrophobicContact CD1-CG1 3.75Å; F285-V304 HydrophobicContact CG-CG1 4Å; F285-F313 HydrophobicContact CE1-CD2 4.06Å; F285-F313 AromaticContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CZ-CE2 4.2Å
286T87.4Confident84.9Confident4 Ų453.4 Ų53.43%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-112.6129.1175.9-59.80000109.3T195 A198 T271 I288 V304 S305T195-T286 HydrophobicContact CG2-CG2 4.43Å; A198-T286 HydrophobicContact CB-CG2 3.54Å; T271-T286 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T286 PolarHBondContact OG1-OG1 3.43Å; T286-I288 HydrophobicContact CG2-CG2 4.3Å; T286-I288 PolarHBondContact O-N 3.03Å; T286-V304 WeakPolarHBondContact O-CA 3.16Å; T286-S305 CarbonylContact C-O 3.59Å; T286-S305 WeakPolarHBondContact CA-O 3.18Å; T286-S305 PolarHBondContact N-O 2.84Å; T286-S305 PolarHBondContact O-N 3.44Å
287V90.9Very high85.4Confident3 Ų357.9 Ų57.92%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-79.8117.9169.4-172.70000108.4A199 I201 G270 F272 L290 A302 V303 V304A199-V287 PolarHBondContact N-O 3.49Å; I201-V287 HydrophobicContact CD1-CB 3.52Å; I201-V287 HydrophobicContact CD1-CG1 4.22Å; I201-V287 HydrophobicContact CD1-CG2 3.46Å; I201-V287 VanDerWaalsContact CD1-CG2 3.46Å; I201-V287 HydrophobicContact CG1-CB 4.35Å; G270-V287 PolarHBondContact O-N 2.79Å; F272-V287 HydrophobicContact CD2-CG2 4.29Å; F272-V287 HydrophobicContact CE2-CG2 3.84Å; V287-L290 HydrophobicContact CG1-CD2 3.62Å; V287-L290 HydrophobicContact CG1-CG 4.08Å; V287-A302 HydrophobicContact CG1-CB 4.16Å; V287-V303 CarbonylContact C-O 3.42Å; V287-V303 WeakPolarHBondContact CA-O 3.37Å; V287-V303 WeakPolarHBondContact CG1-O 3.25Å; V287-V304 HydrophobicContact CG2-CG2 4.3Å
288I89.8Confident86.1Confident14 Ų1456.2 Ų56.27%0.07230%0.301CS..EExtended strand (participates in β ladder)trans-98.9-21.1-173.960.1171.5000112.7D197 T286 V303 F333 L334 Y339D197-I288 HydrophobicContact CB-CB 4.41Å; D197-I288 HydrophobicContact CB-CG2 4.32Å; D197-I288 WeakPolarHBondContact O-CA 3.36Å; T286-I288 HydrophobicContact CG2-CG2 4.3Å; T286-I288 PolarHBondContact O-N 3.03Å; I288-V303 HydrophobicContact CD1-CB 4.4Å; I288-V303 HydrophobicContact CD1-CG1 3.56Å; I288-V303 HydrophobicContact CG1-CB 3.83Å; I288-V303 HydrophobicContact CG1-CG1 3.52Å; I288-V303 WeakPolarHBondContact CG1-O 3.39Å; I288-V303 PolarHBondContact N-O 3.38Å; I288-F333 HydrophobicContact CD1-CE1 4.05Å; I288-F333 HydrophobicContact CG1-CE1 4.29Å; I288-L334 HydrophobicContact CD1-CD2 4.37Å; I288-Y339 HydrophobicContact CD1-CD1 4.06Å; I288-Y339 HydrophobicContact CD1-CD2 4.14Å; I288-Y339 HydrophobicContact CD1-CE1 3.51Å; I288-Y339 HydrophobicContact CD1-CE2 3.62Å; I288-Y339 HydrophobicContact CD1-CG 4.37Å
289K91.6Very high87Confident42 Ų4253.9 Ų53.918%0.18329%0.286CS..EExtended strand (participates in β ladder)trans-153.6142.2176.3-177.9173.5164.787.60110.2Y301 V303 E329 F333K289-Y301 HydrophobicContact CD-CE2 4.47Å; K289-Y301 WeakPolarHBondContact CE-OH 3.33Å; K289-Y301 HydrophobicContact CG-CE2 4.27Å; K289-V303 HydrophobicContact CB-CB 4.03Å; K289-V303 HydrophobicContact CB-CG2 3.94Å; K289-V303 HydrophobicContact CG-CG2 4.48Å; K289-V303 PolarHBondContact O-N 3.23Å; K289-E329 WeakPolarHBondContact CE-OE1 3.46Å; K289-E329 IonicContact NZ-OE1 2.84Å; K289-E329 PolarHBondContact NZ-OE1 3.33Å; K289-F333 HydrophobicContact CB-CD1 4.38Å; K289-F333 HydrophobicContact CB-CE1 3.83Å; K289-F333 HydrophobicContact CB-CE2 4.43Å; K289-F333 HydrophobicContact CB-CZ 3.86Å; K289-F333 HydrophobicContact CD-CB 4.15Å; K289-F333 HydrophobicContact CD-CD1 3.65Å; K289-F333 HydrophobicContact CD-CD2 3.62Å; K289-F333 HydrophobicContact CD-CE1 3.88Å; K289-F333 HydrophobicContact CD-CE2 3.84Å; K289-F333 HydrophobicContact CD-CG 3.51Å; K289-F333 HydrophobicContact CD-CZ 3.98Å; K289-F333 HydrophobicContact CG-CE1 4.5Å; K289-F333 HydrophobicContact CG-CZ 4.44Å
290L93.7Very high88.1Confident33 Ų3352.8 Ų52.817%0.17328%0.278CS..EExtended strand (participates in β ladder)trans-117146.4175.4-66166.4000109.2A199 I201 M206 V287 Y299 A302A199-L290 HydrophobicContact CB-CD1 3.96Å; A199-L290 HydrophobicContact CB-CG 4.09Å; I201-L290 HydrophobicContact CB-CD1 4.42Å; I201-L290 HydrophobicContact CG1-CD1 4Å; I201-L290 HydrophobicContact CG2-CD1 4.46Å; M206-L290 HydrophobicContact SD-CD2 4.11Å; V287-L290 HydrophobicContact CG1-CD2 3.62Å; V287-L290 HydrophobicContact CG1-CG 4.08Å; L290-Y299 HydrophobicContact CB-CD1 4.01Å; L290-Y299 HydrophobicContact CB-CE1 4.18Å; L290-Y299 HydrophobicContact CD1-CD1 4.25Å; L290-Y299 HydrophobicContact CD1-CE1 3.71Å; L290-Y299 HydrophobicContact CD1-CE2 4.19Å; L290-Y299 HydrophobicContact CD2-CD1 4.2Å; L290-Y299 HydrophobicContact CD2-CD2 4.04Å; L290-Y299 HydrophobicContact CD2-CE1 4.42Å; L290-Y299 HydrophobicContact CD2-CE2 4.25Å; L290-Y299 HydrophobicContact CD2-CG 4.01Å; L290-Y299 HydrophobicContact CG-CD1 4.39Å; L290-Y299 HydrophobicContact CG-CE1 4.32Å; L290-A302 HydrophobicContact CD2-CB 4.09Å
291G93.7Very high89.3Confident9 Ų947.3 Ų47.39%0.09324%0.242CC..  trans-77.1176.5165.800000112.5Y301G291-Y301 VanDerWaalsContact CA-CD1 3.45Å; G291-Y301 VanDerWaalsContact CA-CZ 3.47Å; G291-Y301 PolarHBondContact N-O 3.33Å
292P94.7Very high90.3Very high58 Ų5845 Ų4538%0.37723%0.229SC..  trans-63.3159.1174.628.3-34000111.5D300 Y326P292-D300 HydrophobicContact CG-CB 4.4Å; P292-D300 PolarHBondContact O-N 3.4Å; P292-Y326 HydrophobicContact CG-CE1 4.12Å; P292-Y326 WeakPolarHBondContact CG-OH 3.46Å
293I93Very high91Very high80 Ų8043.6 Ų43.641%0.4122%0.218SC..BIsolated β-bridgetrans-77129.6168.8-63.9-67.2000108.4Q298 Y299I293-Q298 CarbonylContact C-O 3.53Å; I293-Q298 WeakPolarHBondContact CA-O 3.35Å; I293-Y299 HydrophobicContact CD1-CD1 3.38Å; I293-Y299 HydrophobicContact CD1-CD2 4.46Å; I293-Y299 HydrophobicContact CD1-CE1 3.37Å; I293-Y299 HydrophobicContact CD1-CE2 4.46Å; I293-Y299 HydrophobicContact CD1-CG 3.96Å; I293-Y299 HydrophobicContact CG1-CD1 4.25Å; I293-Y299 HydrophobicContact CG1-CE1 4.16Å
294N90.1Very high91.7Very high20 Ų2040.6 Ų40.611%0.10721%0.205CC..  trans-88.7-178.1178.566.720.4000112.6F296 N297 Q298 D300N294-F296 PolarHBondContact O-N 3.22Å; N294-F296 WeakPolarHBondContact OD1-CA 3.33Å; N294-F296 WeakPolarHBondContact OD1-CB 3.29Å; N294-F296 PolarHBondContact OD1-N 2.95Å; N294-N297 PolarHBondContact O-N 3.25Å; N294-N297 PolarHBondContact OD1-N 3.16Å; N294-Q298 PolarHBondContact N-O 3.47Å; N294-Q298 PolarHBondContact OD1-N 3.44Å; N294-Q298 PolarHBondContact OD1-O 2.71Å; N294-Q298 VanDerWaalsContact OD1-O 3.13Å; N294-D300 VanDerWaalsContact CB-OD1 3.28Å; N294-D300 WeakPolarHBondContact CB-OD1 3.26Å; N294-D300 PolarHBondContact ND2-OD1 3.33Å
295E90.7Very high91.8Very high170 Ų17039.1 Ų39.179%0.79420%0.195SC*.THydrogen-bonded Turntrans-57-21.4179.4-62.7159.5-148.800113.4
296F90.5Very high91.6Very high142 Ų14239.4 Ų39.462%0.62320%0.198SC*.THydrogen-bonded Turntrans-97.115179.2-54.5-73.1000113.4N294 Q298N294-F296 PolarHBondContact O-N 3.22Å; N294-F296 WeakPolarHBondContact OD1-CA 3.33Å; N294-F296 WeakPolarHBondContact OD1-CB 3.29Å; N294-F296 PolarHBondContact OD1-N 2.95Å; F296-Q298 HydrophobicContact CB-CG 4.49Å; F296-Q298 PolarHBondContact O-N 2.94Å
297N93Very high90.9Very high122 Ų12243 Ų4365%0.65221%0.211SC*.SBendtrans58.625.9-175.4-68.8-35.7000114.5S205 N294S205-N297 WeakPolarHBondContact CB-O 3.31Å; S205-N297 PolarHBondContact OG-O 3.09Å; N294-N297 PolarHBondContact O-N 3.25Å; N294-N297 PolarHBondContact OD1-N 3.16Å
298Q93.6Very high89.9Confident52 Ų5245.5 Ų45.524%0.24323%0.226CC..SBendtrans-112.2151.9178.9-671744.700111.1I293 N294 F296I293-Q298 CarbonylContact C-O 3.53Å; I293-Q298 WeakPolarHBondContact CA-O 3.35Å; N294-Q298 PolarHBondContact N-O 3.47Å; N294-Q298 PolarHBondContact OD1-N 3.44Å; N294-Q298 PolarHBondContact OD1-O 2.71Å; N294-Q298 VanDerWaalsContact OD1-O 3.13Å; F296-Q298 HydrophobicContact CB-CG 4.49Å; F296-Q298 PolarHBondContact O-N 2.94Å
299Y95Very high89.2Confident25 Ų2547.9 Ų47.910%0.09824%0.236CC..BIsolated β-bridgetrans-67.9134.8171-62.8-68.2000110.5I201 N202 S205 M206 W210 L290 I293 R317I201-Y299 HydrophobicContact CG2-CE2 3.82Å; N202-Y299 PolarHBondContact N-OH 3.36Å; N202-Y299 WeakPolarHBondContact O-CE2 3.48Å; S205-Y299 VanDerWaalsContact CB-CE2 3.47Å; S205-Y299 PolarHBondContact O-N 3.3Å; M206-Y299 HydrophobicContact CG-CD2 4.13Å; M206-Y299 HydrophobicContact CG-CE2 4.26Å; M206-Y299 HydrophobicContact SD-CD2 3.66Å; M206-Y299 HydrophobicContact SD-CE2 4.21Å; W210-Y299 WeakPolarHBondContact CH2-O 3.35Å; L290-Y299 HydrophobicContact CB-CD1 4.01Å; L290-Y299 HydrophobicContact CB-CE1 4.18Å; L290-Y299 HydrophobicContact CD1-CD1 4.25Å; L290-Y299 HydrophobicContact CD1-CE1 3.71Å; L290-Y299 HydrophobicContact CD1-CE2 4.19Å; L290-Y299 HydrophobicContact CD2-CD1 4.2Å; L290-Y299 HydrophobicContact CD2-CD2 4.04Å; L290-Y299 HydrophobicContact CD2-CE1 4.42Å; L290-Y299 HydrophobicContact CD2-CE2 4.25Å; L290-Y299 HydrophobicContact CD2-CG 4.01Å; L290-Y299 HydrophobicContact CG-CD1 4.39Å; L290-Y299 HydrophobicContact CG-CE1 4.32Å; I293-Y299 HydrophobicContact CD1-CD1 3.38Å; I293-Y299 HydrophobicContact CD1-CD2 4.46Å; I293-Y299 HydrophobicContact CD1-CE1 3.37Å; I293-Y299 HydrophobicContact CD1-CE2 4.46Å; I293-Y299 HydrophobicContact CD1-CG 3.96Å; I293-Y299 HydrophobicContact CG1-CD1 4.25Å; I293-Y299 HydrophobicContact CG1-CE1 4.16Å; Y299-R317 WeakPolarHBondContact O-CG 3.47Å; Y299-R317 PolarHBondContact O-NE 2.92Å
300D94.6Very high88.3Confident8 Ų848.6 Ų48.64%0.04324%0.239CC..SBendtrans-70.8-36.2178.4-92.2-28000113.4P292 N294 A316 R317 R321 Y326P292-D300 HydrophobicContact CG-CB 4.4Å; P292-D300 PolarHBondContact O-N 3.4Å; N294-D300 VanDerWaalsContact CB-OD1 3.28Å; N294-D300 WeakPolarHBondContact CB-OD1 3.26Å; N294-D300 PolarHBondContact ND2-OD1 3.33Å; D300-A316 WeakPolarHBondContact O-CA 3.49Å; D300-R317 PolarHBondContact O-N 3.46Å; D300-R321 IonicContact OD1-CZ 3.17Å; D300-R321 IonicContact OD1-NH1 2.75Å; D300-R321 PolarHBondContact OD1-NH1 2.97Å; D300-R321 IonicContact OD2-CZ 3.15Å; D300-R321 IonicContact OD2-NE 2.89Å; D300-R321 IonicContact OD2-NH1 3.49Å; D300-R321 PolarHBondContact OD2-NH1 2.93Å; D300-R321 IonicContact OD2-NH2 3.92Å; D300-R321 PolarHBondContact OD2-NH2 3.45Å; D300-Y326 HydrophobicContact CB-CE2 4.09Å; D300-Y326 PolarHBondContact OD2-OH 3.14Å
301Y95.6Very high87.7Confident4 Ų447.9 Ų47.92%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-147160.3174.471-94.8000111.8K289 G291 V303 L315 F322 Y326 E329 V330K289-Y301 HydrophobicContact CD-CE2 4.47Å; K289-Y301 WeakPolarHBondContact CE-OH 3.33Å; K289-Y301 HydrophobicContact CG-CE2 4.27Å; G291-Y301 VanDerWaalsContact CA-CD1 3.45Å; G291-Y301 VanDerWaalsContact CA-CZ 3.47Å; G291-Y301 PolarHBondContact N-O 3.33Å; Y301-V303 HydrophobicContact CD2-CG2 4.25Å; Y301-V303 HydrophobicContact CE2-CG2 4.24Å; Y301-L315 CarbonylContact C-O 3.56Å; Y301-L315 WeakPolarHBondContact CA-O 3.47Å; Y301-L315 VanDerWaalsContact CB-O 3.32Å; Y301-L315 WeakPolarHBondContact CB-O 3.05Å; Y301-F322 HydrophobicContact CD1-CD2 4.19Å; Y301-F322 HydrophobicContact CD1-CE2 4.18Å; Y301-F322 HydrophobicContact CD2-CE2 4.11Å; Y301-F322 HydrophobicContact CG-CD2 4Å; Y301-F322 AromaticContact CG-CE2 3.76Å; Y301-F322 HydrophobicContact CG-CE2 3.76Å; Y301-Y326 HydrophobicContact CD1-CD1 4.16Å; Y301-Y326 AromaticContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CE2 4.3Å; Y301-Y326 AromaticContact CD1-CG 3.65Å; Y301-Y326 HydrophobicContact CD1-CG 3.65Å; Y301-Y326 AromaticContact CE1-CD1 3.57Å; Y301-Y326 HydrophobicContact CE1-CD1 3.57Å; Y301-Y326 AromaticContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CE1 4.17Å; Y301-Y326 AromaticContact CE1-CG 3.5Å; Y301-Y326 HydrophobicContact CE1-CG 3.5Å; Y301-Y326 VanDerWaalsContact CE1-CG 3.5Å; Y301-E329 PolarHBondContact OH-OE1 3.29Å; Y301-V330 HydrophobicContact CD2-CG2 4.03Å; Y301-V330 HydrophobicContact CE1-CG2 4.48Å; Y301-V330 HydrophobicContact CE2-CG2 3.49Å; Y301-V330 VanDerWaalsContact CE2-CG2 3.49Å
302A95.1Very high87.4Confident0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-141.1131.8172.700000109.6M206 W210 V287 L290 V314 L315M206-A302 HydrophobicContact CE-CB 4.03Å; M206-A302 HydrophobicContact SD-CB 4.38Å; W210-A302 HydrophobicContact CH2-CB 4.27Å; W210-A302 HydrophobicContact CZ3-CB 4.48Å; V287-A302 HydrophobicContact CG1-CB 4.16Å; L290-A302 HydrophobicContact CD2-CB 4.09Å; A302-V314 WeakPolarHBondContact O-CA 3.36Å; A302-L315 PolarHBondContact N-O 2.91Å; A302-L315 PolarHBondContact O-N 3.33Å
303V93.5Very high87.2Confident0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-98.5122.6173.3-174.50000107.7V287 I288 K289 Y301 V312 V314 V330 L334V287-V303 CarbonylContact C-O 3.42Å; V287-V303 WeakPolarHBondContact CA-O 3.37Å; V287-V303 WeakPolarHBondContact CG1-O 3.25Å; I288-V303 HydrophobicContact CD1-CB 4.4Å; I288-V303 HydrophobicContact CD1-CG1 3.56Å; I288-V303 HydrophobicContact CG1-CB 3.83Å; I288-V303 HydrophobicContact CG1-CG1 3.52Å; I288-V303 WeakPolarHBondContact CG1-O 3.39Å; I288-V303 PolarHBondContact N-O 3.38Å; K289-V303 HydrophobicContact CB-CB 4.03Å; K289-V303 HydrophobicContact CB-CG2 3.94Å; K289-V303 HydrophobicContact CG-CG2 4.48Å; K289-V303 PolarHBondContact O-N 3.23Å; Y301-V303 HydrophobicContact CD2-CG2 4.25Å; Y301-V303 HydrophobicContact CE2-CG2 4.24Å; V303-V312 HydrophobicContact CG1-CG1 4.3Å; V303-V314 HydrophobicContact CB-CG2 4.4Å; V303-V314 HydrophobicContact CG1-CG2 4.07Å; V303-V314 HydrophobicContact CG2-CG1 4.25Å; V303-V314 HydrophobicContact CG2-CG2 4.04Å; V303-V330 HydrophobicContact CG2-CG1 3.85Å; V303-L334 HydrophobicContact CG1-CD2 3.87Å
304V91.2Very high87.2Confident15 Ų1541.5 Ų41.59%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-118.9132.8-174.7-1710000108.8F285 T286 V287 F313 L315F285-V304 HydrophobicContact CB-CG1 3.66Å; F285-V304 HydrophobicContact CD1-CG1 3.75Å; F285-V304 HydrophobicContact CG-CG1 4Å; T286-V304 WeakPolarHBondContact O-CA 3.16Å; V287-V304 HydrophobicContact CG2-CG2 4.3Å; V304-F313 PolarHBondContact N-O 3.1Å; V304-F313 PolarHBondContact O-N 3.07Å; V304-L315 HydrophobicContact CG2-CD1 4.31Å
305S85.9Confident87.4Confident0 Ų041.3 Ų41.30%020%0.196CC..EExtended strand (participates in β ladder)trans-150.1171.3175.9-179.60000109.4T286 K309 P311 Y339T286-S305 CarbonylContact C-O 3.59Å; T286-S305 WeakPolarHBondContact CA-O 3.18Å; T286-S305 PolarHBondContact N-O 2.84Å; T286-S305 PolarHBondContact O-N 3.44Å; S305-K309 WeakPolarHBondContact OG-CA 3.42Å; S305-P311 WeakPolarHBondContact CA-O 3.4Å; S305-P311 PolarHBondContact OG-O 3.31Å; S305-Y339 WeakPolarHBondContact OG-CE1 3.33Å
306N79.3Confident87.6Confident27 Ų2733.2 Ų33.214%0.14416%0.159CC..  trans-97.6-179.2164.866.711.7000111.6V308 K309 F310N306-V308 VanDerWaalsContact C-N 3.29Å; N306-V308 VanDerWaalsContact CG-CG2 3.46Å; N306-V308 VanDerWaalsContact ND2-CG2 3.28Å; N306-V308 WeakPolarHBondContact ND2-CG2 3.46Å; N306-V308 PolarHBondContact O-N 3.16Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.48Å; N306-V308 PolarHBondContact OD1-N 3.31Å; N306-K309 PolarHBondContact O-N 3.18Å; N306-K309 PolarHBondContact OD1-N 3.24Å; N306-K309 VanDerWaalsContact OD1-N 3.14Å; N306-F310 PolarHBondContact ND2-O 3.37Å; N306-F310 PolarHBondContact OD1-N 3.33Å; N306-F310 PolarHBondContact OD1-O 2.93Å
307W72.4Confident87.7Confident80 Ų8027.5 Ų27.530%0.30313%0.133SC..THydrogen-bonded Turntrans-67.3-23.5-179.561.7-90000114.7I154 L158 I194 T195 K309I154-W307 HydrophobicContact CB-CZ2 4.26Å; I154-W307 HydrophobicContact CG2-CH2 4.45Å; I154-W307 HydrophobicContact CG2-CZ2 3.35Å; L158-W307 HydrophobicContact CD1-CH2 3.27Å; L158-W307 HydrophobicContact CD1-CZ2 3.46Å; L158-W307 VanDerWaalsContact CD1-CZ2 3.46Å; L158-W307 HydrophobicContact CD1-CZ3 4.18Å; I194-W307 HydrophobicContact CG2-CB 3.42Å; I194-W307 VanDerWaalsContact CG2-CB 3.42Å; I194-W307 HydrophobicContact CG2-CD2 4.21Å; I194-W307 HydrophobicContact CG2-CE3 4.27Å; I194-W307 HydrophobicContact CG2-CG 3.9Å; T195-W307 HydrophobicContact CG2-CB 3.8Å; W307-K309 PolarHBondContact O-N 2.96Å
308V70.5Confident87.6Confident54 Ų5425.4 Ų25.433%0.32712%0.121SC..THydrogen-bonded Turntrans-84.46.9171.4-66.60000113.3L158 N306 F310L158-V308 HydrophobicContact CD1-CG1 3.48Å; L158-V308 VanDerWaalsContact CD1-CG1 3.48Å; L158-V308 HydrophobicContact CD2-CG1 4.09Å; L158-V308 HydrophobicContact CG-CG1 4.45Å; N306-V308 VanDerWaalsContact C-N 3.29Å; N306-V308 VanDerWaalsContact CG-CG2 3.46Å; N306-V308 VanDerWaalsContact ND2-CG2 3.28Å; N306-V308 WeakPolarHBondContact ND2-CG2 3.46Å; N306-V308 PolarHBondContact O-N 3.16Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.48Å; N306-V308 PolarHBondContact OD1-N 3.31Å; V308-F310 WeakPolarHBondContact CG2-O 3.4Å; V308-F310 PolarHBondContact O-N 3.37Å
309K75Confident87.5Confident64 Ų6423.4 Ų23.428%0.27811%0.113SC..SBendtrans64.117.2-180-57.4-167.5170.3-173.30115S305 N306 W307 V312 H337 Y339S305-K309 WeakPolarHBondContact OG-CA 3.42Å; N306-K309 PolarHBondContact O-N 3.18Å; N306-K309 PolarHBondContact OD1-N 3.24Å; N306-K309 VanDerWaalsContact OD1-N 3.14Å; W307-K309 PolarHBondContact O-N 2.96Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; K309-H337 PolarHBondContact NZ-O 2.97Å; K309-Y339 HydrophobicContact CB-CD1 3.48Å; K309-Y339 VanDerWaalsContact CB-CD1 3.48Å; K309-Y339 HydrophobicContact CB-CE1 3.55Å; K309-Y339 HydrophobicContact CB-CG 4.3Å; K309-Y339 HydrophobicContact CD-CD1 4.16Å; K309-Y339 HydrophobicContact CD-CD2 4.47Å; K309-Y339 HydrophobicContact CD-CE1 3.95Å; K309-Y339 HydrophobicContact CD-CE2 4.27Å; K309-Y339 HydrophobicContact CD-CG 4.39Å; K309-Y339 HydrophobicContact CG-CD1 3.89Å; K309-Y339 HydrophobicContact CG-CE1 3.49Å; K309-Y339 VanDerWaalsContact CG-CE1 3.49Å
310F72.4Confident87.2Confident58 Ų5827 Ų2725%0.25413%0.131SC..  trans-160.4128.9179.6-173.4-98.6000111.9V219 N306 V308 M349V219-F310 HydrophobicContact CG2-CD1 4.16Å; V219-F310 HydrophobicContact CG2-CE1 3.16Å; V219-F310 HydrophobicContact CG2-CE2 4.43Å; V219-F310 HydrophobicContact CG2-CZ 3.34Å; N306-F310 PolarHBondContact ND2-O 3.37Å; N306-F310 PolarHBondContact OD1-N 3.33Å; N306-F310 PolarHBondContact OD1-O 2.93Å; V308-F310 WeakPolarHBondContact CG2-O 3.4Å; V308-F310 PolarHBondContact O-N 3.37Å; F310-M349 HydrophobicContact CE1-CE 4.16Å; F310-M349 HydrophobicContact CE2-CB 4.1Å; F310-M349 HydrophobicContact CE2-CE 3.8Å; F310-M349 HydrophobicContact CZ-CE 3.57Å
311P82.6Confident87Confident17 Ų1729.9 Ų29.911%0.1114%0.141CC..SBendcis-76.3163.3831.3-37.3000113.6V219 S305 F313V219-P311 HydrophobicContact CB-CB 4.27Å; V219-P311 HydrophobicContact CG1-CB 4.33Å; V219-P311 HydrophobicContact CG1-CG 4.24Å; V219-P311 HydrophobicContact CG2-CB 4.09Å; S305-P311 WeakPolarHBondContact CA-O 3.4Å; S305-P311 PolarHBondContact OG-O 3.31Å; P311-F313 HydrophobicContact CB-CE1 4.24Å; P311-F313 HydrophobicContact CB-CE2 3.69Å; P311-F313 HydrophobicContact CB-CZ 3.47Å; P311-F313 VanDerWaalsContact CB-CZ 3.47Å; P311-F313 HydrophobicContact CG-CE2 3.47Å; P311-F313 VanDerWaalsContact CG-CE2 3.47Å; P311-F313 HydrophobicContact CG-CZ 3.62Å
312V86.2Confident86.9Confident0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-119.1129.9174.3179.40000109.4S216 V303 K309 L334 Y339 I350S216-V312 PolarHBondContact OG-N 3.02Å; S216-V312 PolarHBondContact OG-O 3.34Å; V303-V312 HydrophobicContact CG1-CG1 4.3Å; K309-V312 WeakPolarHBondContact O-CG2 3.4Å; V312-L334 HydrophobicContact CG1-CD1 4.13Å; V312-L334 HydrophobicContact CG1-CD2 3.77Å; V312-Y339 HydrophobicContact CG2-CD1 3.73Å; V312-Y339 HydrophobicContact CG2-CG 4.36Å; V312-I350 HydrophobicContact CB-CD1 3.94Å; V312-I350 HydrophobicContact CB-CG1 4.35Å; V312-I350 HydrophobicContact CG2-CD1 3.89Å
313F90.1Very high86.6Confident14 Ų1435.3 Ų35.36%0.06117%0.167CC..EExtended strand (participates in β ladder)trans-125.7141.1175.4-53.5-66.5000109.7I214 I220 F285 V304 P311I214-F313 WeakPolarHBondContact O-CA 3.22Å; I220-F313 HydrophobicContact CD1-CE1 3.68Å; I220-F313 HydrophobicContact CD1-CE2 4.05Å; I220-F313 HydrophobicContact CD1-CZ 3.23Å; I220-F313 HydrophobicContact CG1-CE1 4.17Å; I220-F313 HydrophobicContact CG1-CZ 3.84Å; F285-F313 HydrophobicContact CE1-CD2 4.06Å; F285-F313 AromaticContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CE1-CE2 3.78Å; F285-F313 HydrophobicContact CZ-CE2 4.2Å; V304-F313 PolarHBondContact N-O 3.1Å; V304-F313 PolarHBondContact O-N 3.07Å; P311-F313 HydrophobicContact CB-CE1 4.24Å; P311-F313 HydrophobicContact CB-CE2 3.69Å; P311-F313 HydrophobicContact CB-CZ 3.47Å; P311-F313 VanDerWaalsContact CB-CZ 3.47Å; P311-F313 HydrophobicContact CG-CE2 3.47Å; P311-F313 VanDerWaalsContact CG-CE2 3.47Å; P311-F313 HydrophobicContact CG-CZ 3.62Å
314V93.7Very high86.5Confident0 Ų044 Ų440%020%0.199CC..EExtended strand (participates in β ladder)trans-118.7124.6168.7-1730000108.6Q212 V213 I214 A302 V303 F322 V330Q212-V314 WeakPolarHBondContact CA-O 3.12Å; V213-V314 HydrophobicContact CG2-CB 3.92Å; V213-V314 HydrophobicContact CG2-CG1 3.74Å; V213-V314 VanDerWaalsContact CG2-O 3.29Å; V213-V314 WeakPolarHBondContact CG2-O 3.46Å; V213-V314 PolarHBondContact N-O 2.83Å; I214-V314 HydrophobicContact CB-CB 3.79Å; I214-V314 HydrophobicContact CB-CG2 3.78Å; I214-V314 HydrophobicContact CD1-CB 4.13Å; I214-V314 HydrophobicContact CD1-CG2 3.79Å; I214-V314 HydrophobicContact CG1-CB 4.2Å; I214-V314 HydrophobicContact CG1-CG2 4.23Å; I214-V314 HydrophobicContact CG2-CG2 4.35Å; I214-V314 PolarHBondContact N-O 3.37Å; I214-V314 PolarHBondContact O-N 2.87Å; A302-V314 WeakPolarHBondContact O-CA 3.36Å; V303-V314 HydrophobicContact CB-CG2 4.4Å; V303-V314 HydrophobicContact CG1-CG2 4.07Å; V303-V314 HydrophobicContact CG2-CG1 4.25Å; V303-V314 HydrophobicContact CG2-CG2 4.04Å; V314-F322 HydrophobicContact CB-CZ 4.48Å; V314-F322 HydrophobicContact CG1-CE1 4.43Å; V314-F322 HydrophobicContact CG1-CE2 3.7Å; V314-F322 HydrophobicContact CG1-CZ 3.56Å; V314-V330 HydrophobicContact CG1-CG1 4.38Å; V314-V330 HydrophobicContact CG2-CG1 3.95Å
315L94.5Very high86.6Confident16 Ų1651.1 Ų51.18%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-103.6135.9176.9-56.8-179.3000108.2W210 F211 Q212 F229 Y301 A302 V304W210-L315 HydrophobicContact CB-CB 4.23Å; W210-L315 HydrophobicContact CB-CD1 4.47Å; W210-L315 HydrophobicContact CD2-CB 4.07Å; W210-L315 HydrophobicContact CE3-CB 3.6Å; W210-L315 HydrophobicContact CG-CB 4.38Å; W210-L315 HydrophobicContact CG-CD1 4.48Å; W210-L315 HydrophobicContact CZ3-CB 4.25Å; F211-L315 CarbonylContact O-C 3.5Å; F211-L315 WeakPolarHBondContact O-CA 3.41Å; Q212-L315 HydrophobicContact CB-CD2 4.26Å; Q212-L315 HydrophobicContact CG-CD2 4.49Å; F229-L315 HydrophobicContact CE2-CD1 4.2Å; F229-L315 HydrophobicContact CZ-CD1 4.08Å; Y301-L315 CarbonylContact C-O 3.56Å; Y301-L315 WeakPolarHBondContact CA-O 3.47Å; Y301-L315 VanDerWaalsContact CB-O 3.32Å; Y301-L315 WeakPolarHBondContact CB-O 3.05Å; A302-L315 PolarHBondContact N-O 2.91Å; A302-L315 PolarHBondContact O-N 3.33Å; V304-L315 HydrophobicContact CG2-CD1 4.31Å
316A94.7Very high87Confident0 Ų052.5 Ų52.50%023%0.23CC..EExtended strand (participates in β ladder)trans-131.7148.4174.900000111.2F211 V213 D300 F322F211-A316 PolarHBondContact N-O 2.89Å; F211-A316 PolarHBondContact O-N 3.46Å; V213-A316 HydrophobicContact CB-CB 4.47Å; V213-A316 HydrophobicContact CG1-CB 3.72Å; V213-A316 HydrophobicContact CG2-CB 3.87Å; D300-A316 WeakPolarHBondContact O-CA 3.49Å; A316-F322 HydrophobicContact CB-CB 3.66Å; A316-F322 HydrophobicContact CB-CD2 3.88Å; A316-F322 HydrophobicContact CB-CG 3.82Å
317R92.8Very high87.6Confident21 Ų2152.5 Ų52.58%0.07923%0.23CC..SBendtrans-71.8-42.8173.8-62.8-60.1-172.21628.9112.2S205 M206 M207 G208 R209 W210 F211 Y299 D300S205-R317 PolarHBondContact O-NH2 3.33Å; M206-R317 PolarHBondContact O-NH2 2.82Å; M207-R317 PolarHBondContact O-NH1 2.88Å; M207-R317 PolarHBondContact O-NH2 2.97Å; G208-R317 VanDerWaalsContact C-NH1 3.29Å; R209-R317 WeakPolarHBondContact O-CD 3.44Å; R209-R317 PolarHBondContact O-NH1 2.97Å; W210-R317 HydrophobicContact CE3-CG 4.33Å; W210-R317 HydrophobicContact CH2-CG 4.26Å; W210-R317 VanDerWaalsContact CZ2-NH2 3.34Å; W210-R317 HydrophobicContact CZ3-CG 3.98Å; F211-R317 VanDerWaalsContact CD2-O 3.24Å; F211-R317 WeakPolarHBondContact CD2-O 3.41Å; F211-R317 VanDerWaalsContact CE2-O 3.29Å; F211-R317 WeakPolarHBondContact CE2-O 3.32Å; Y299-R317 WeakPolarHBondContact O-CG 3.47Å; Y299-R317 PolarHBondContact O-NE 2.92Å; D300-R317 PolarHBondContact O-N 3.46Å
318N91.5Very high88.4Confident78 Ų7856.2 Ų56.242%0.41725%0.248SC..  trans-127.2110.9177.2-176.4-33.1000108.9E320 R321 F322N318-E320 VanDerWaalsContact C-N 3.34Å; N318-E320 PolarHBondContact O-N 3.38Å; N318-E320 WeakPolarHBondContact OD1-CB 3.32Å; N318-E320 PolarHBondContact OD1-N 3.19Å; N318-R321 HydrophobicContact CB-CB 3.91Å; N318-R321 PolarHBondContact O-N 2.88Å; N318-R321 PolarHBondContact OD1-N 2.64Å; N318-R321 VanDerWaalsContact OD1-N 3.12Å; N318-F322 WeakPolarHBondContact O-CB 3.37Å; N318-F322 PolarHBondContact O-N 3.27Å
319P90.6Very high89.5Confident11 Ų1157.5 Ų57.57%0.07125%0.251CS..Hα-helixtrans-66.8-33.7-176.422.6-28.2000112.7F211 V213 F322 Q323 Y355F211-P319 HydrophobicContact CB-CB 4.5Å; F211-P319 HydrophobicContact CB-CG 4.35Å; F211-P319 HydrophobicContact CD2-CG 4.4Å; F211-P319 HydrophobicContact CG-CG 4.21Å; V213-P319 HydrophobicContact CG1-CB 3.74Å; P319-F322 PolarHBondContact O-N 3.07Å; P319-Q323 WeakPolarHBondContact O-CB 3.17Å; P319-Q323 PolarHBondContact O-N 2.97Å; P319-Y355 HydrophobicContact CB-CD1 4.49Å; P319-Y355 HydrophobicContact CB-CD2 3.74Å; P319-Y355 HydrophobicContact CB-CE2 4.2Å; P319-Y355 HydrophobicContact CB-CG 3.9Å; P319-Y355 HydrophobicContact CG-CD1 3.94Å; P319-Y355 HydrophobicContact CG-CD2 3.35Å; P319-Y355 HydrophobicContact CG-CE1 3.93Å; P319-Y355 HydrophobicContact CG-CE2 3.31Å; P319-Y355 HydrophobicContact CG-CG 3.67Å
320E89.3Confident90.4Very high100 Ų10054.5 Ų54.547%0.46724%0.237SC..Hα-helixtrans-67.6-44.7176.7-62.5-169.2-171.800111.7N318 F322 Q323 R324N318-E320 VanDerWaalsContact C-N 3.34Å; N318-E320 PolarHBondContact O-N 3.38Å; N318-E320 WeakPolarHBondContact OD1-CB 3.32Å; N318-E320 PolarHBondContact OD1-N 3.19Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.39Å; E320-Q323 PolarHBondContact O-N 2.94Å; E320-R324 WeakPolarHBondContact O-CG 3.36Å; E320-R324 PolarHBondContact O-N 3.17Å; E320-R324 VanDerWaalsContact O-N 3.09Å; E320-R324 IonicContact OE2-NH2 3.65Å; E320-R324 PolarHBondContact OE2-NH2 3.39Å; E320-R324 VanDerWaalsContact OE2-NH2 3.15Å
321R89.7Confident91.2Very high68 Ų6854.3 Ų54.326%0.25724%0.239SC..Hα-helixtrans-61.8-43.8175.8-170.5-177.4-173.6-165.51.4110.5D300 N318 R324 W325 Y326D300-R321 IonicContact OD1-CZ 3.17Å; D300-R321 IonicContact OD1-NH1 2.75Å; D300-R321 PolarHBondContact OD1-NH1 2.97Å; D300-R321 IonicContact OD2-CZ 3.15Å; D300-R321 IonicContact OD2-NE 2.89Å; D300-R321 IonicContact OD2-NH1 3.49Å; D300-R321 PolarHBondContact OD2-NH1 2.93Å; D300-R321 IonicContact OD2-NH2 3.92Å; D300-R321 PolarHBondContact OD2-NH2 3.45Å; N318-R321 HydrophobicContact CB-CB 3.91Å; N318-R321 PolarHBondContact O-N 2.88Å; N318-R321 PolarHBondContact OD1-N 2.64Å; N318-R321 VanDerWaalsContact OD1-N 3.12Å; R321-R324 PolarHBondContact O-N 2.8Å; R321-W325 HydrophobicContact CG-CD2 4.3Å; R321-W325 HydrophobicContact CG-CE3 4.06Å; R321-W325 HydrophobicContact CG-CZ3 4.49Å; R321-W325 PolarHBondContact O-N 3.49Å; R321-Y326 HydrophobicContact CG-CE2 4.49Å
322F93.1Very high91.5Very high2 Ų258.5 Ų58.51%0.00926%0.257CS..Hα-helixtrans-59.8-48.3176.7-178-90.6000112.1V213 I214 Y301 V314 A316 N318 P319 E320 R324 W325 Y326 M327 V330V213-F322 HydrophobicContact CB-CD1 3.8Å; V213-F322 HydrophobicContact CB-CE1 4.03Å; V213-F322 HydrophobicContact CB-CG 4.46Å; V213-F322 HydrophobicContact CG1-CD1 4.17Å; V213-F322 HydrophobicContact CG1-CG 4.47Å; V213-F322 HydrophobicContact CG2-CD1 3.49Å; V213-F322 VanDerWaalsContact CG2-CD1 3.49Å; V213-F322 HydrophobicContact CG2-CD2 4.27Å; V213-F322 HydrophobicContact CG2-CE1 3.44Å; V213-F322 VanDerWaalsContact CG2-CE1 3.44Å; V213-F322 HydrophobicContact CG2-CE2 4.23Å; V213-F322 HydrophobicContact CG2-CG 3.93Å; V213-F322 HydrophobicContact CG2-CZ 3.85Å; I214-F322 HydrophobicContact CD1-CE1 4.25Å; I214-F322 HydrophobicContact CD1-CZ 4.29Å; Y301-F322 HydrophobicContact CD1-CD2 4.19Å; Y301-F322 HydrophobicContact CD1-CE2 4.18Å; Y301-F322 HydrophobicContact CD2-CE2 4.11Å; Y301-F322 HydrophobicContact CG-CD2 4Å; Y301-F322 AromaticContact CG-CE2 3.76Å; Y301-F322 HydrophobicContact CG-CE2 3.76Å; V314-F322 HydrophobicContact CB-CZ 4.48Å; V314-F322 HydrophobicContact CG1-CE1 4.43Å; V314-F322 HydrophobicContact CG1-CE2 3.7Å; V314-F322 HydrophobicContact CG1-CZ 3.56Å; A316-F322 HydrophobicContact CB-CB 3.66Å; A316-F322 HydrophobicContact CB-CD2 3.88Å; A316-F322 HydrophobicContact CB-CG 3.82Å; N318-F322 WeakPolarHBondContact O-CB 3.37Å; N318-F322 PolarHBondContact O-N 3.27Å; P319-F322 PolarHBondContact O-N 3.07Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.39Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.44Å; F322-W325 PolarHBondContact O-N 2.69Å; F322-Y326 HydrophobicContact CD2-CD2 4.27Å; F322-Y326 HydrophobicContact CD2-CG 4.46Å; F322-Y326 CarbonylContact O-C 3.55Å; F322-Y326 PolarHBondContact O-N 3.02Å; F322-M327 HydrophobicContact CD1-CB 4.49Å; F322-M327 HydrophobicContact CD1-CE 3.9Å; F322-M327 HydrophobicContact CE1-CB 4.23Å; F322-M327 HydrophobicContact CE1-CE 3.66Å; F322-M327 HydrophobicContact CE1-SD 3.79Å; F322-M327 PolarHBondContact O-N 3.38Å; F322-V330 HydrophobicContact CE2-CG2 3.92Å; F322-V330 HydrophobicContact CZ-CB 4.06Å; F322-V330 HydrophobicContact CZ-CG1 4.22Å; F322-V330 HydrophobicContact CZ-CG2 3.97Å
323Q89.6Confident91.7Very high117 Ų11760.1 Ų60.155%0.54726%0.264SS..Hα-helixtrans-59.7-40.4-179.9-171174.610.200112.1P319 E320 M327P319-Q323 WeakPolarHBondContact O-CB 3.17Å; P319-Q323 PolarHBondContact O-N 2.97Å; E320-Q323 PolarHBondContact O-N 2.94Å; Q323-M327 WeakPolarHBondContact O-CB 3.16Å
324R91.1Very high91.7Very high182 Ų18259.5 Ų59.569%0.68726%0.261SS*.Hα-helixtrans-75.1-42.1-178.7-66.8-180-158.5173.711.3113.1E320 R321 F322E320-R324 WeakPolarHBondContact O-CG 3.36Å; E320-R324 PolarHBondContact O-N 3.17Å; E320-R324 VanDerWaalsContact O-N 3.09Å; E320-R324 IonicContact OE2-NH2 3.65Å; E320-R324 PolarHBondContact OE2-NH2 3.39Å; E320-R324 VanDerWaalsContact OE2-NH2 3.15Å; R321-R324 PolarHBondContact O-N 2.8Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.44Å
325W93.3Very high91.3Very high165 Ų16563.3 Ų63.363%0.62528%0.279SS*.Hα-helixtrans-111.3-31.4-165.2-62.3-4.1000114.4R321 F322R321-W325 HydrophobicContact CG-CD2 4.3Å; R321-W325 HydrophobicContact CG-CE3 4.06Å; R321-W325 HydrophobicContact CG-CZ3 4.49Å; R321-W325 PolarHBondContact O-N 3.49Å; F322-W325 PolarHBondContact O-N 2.69Å
326Y94.5Very high90.9Very high28 Ų2870.6 Ų70.611%0.1131%0.31CS..THydrogen-bonded Turntrans-114.8-21.4-169.4-57.4-55000114.1P292 D300 Y301 R321 F322 K328 E329 V330P292-Y326 HydrophobicContact CG-CE1 4.12Å; P292-Y326 WeakPolarHBondContact CG-OH 3.46Å; D300-Y326 HydrophobicContact CB-CE2 4.09Å; D300-Y326 PolarHBondContact OD2-OH 3.14Å; Y301-Y326 HydrophobicContact CD1-CD1 4.16Å; Y301-Y326 AromaticContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CD2 3.71Å; Y301-Y326 HydrophobicContact CD1-CE2 4.3Å; Y301-Y326 AromaticContact CD1-CG 3.65Å; Y301-Y326 HydrophobicContact CD1-CG 3.65Å; Y301-Y326 AromaticContact CE1-CD1 3.57Å; Y301-Y326 HydrophobicContact CE1-CD1 3.57Å; Y301-Y326 AromaticContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CD2 4Å; Y301-Y326 HydrophobicContact CE1-CE1 4.17Å; Y301-Y326 AromaticContact CE1-CG 3.5Å; Y301-Y326 HydrophobicContact CE1-CG 3.5Å; Y301-Y326 VanDerWaalsContact CE1-CG 3.5Å; R321-Y326 HydrophobicContact CG-CE2 4.49Å; F322-Y326 HydrophobicContact CD2-CD2 4.27Å; F322-Y326 HydrophobicContact CD2-CG 4.46Å; F322-Y326 CarbonylContact O-C 3.55Å; F322-Y326 PolarHBondContact O-N 3.02Å; Y326-K328 PolarHBondContact O-N 3.19Å; Y326-E329 PolarHBondContact O-N 3.16Å; Y326-V330 WeakPolarHBondContact O-CB 3.42Å; Y326-V330 WeakPolarHBondContact O-CG2 3.42Å; Y326-V330 PolarHBondContact O-N 3.17Å
327M91.5Very high90.4Very high28 Ų2873.4 Ų73.414%0.13832%0.323CS..Hα-helixtrans-53.2-50.7-175.3-178.766.477.200112.8I214 F322 Q323 V330 L331 P352I214-M327 HydrophobicContact CD1-SD 3.87Å; I214-M327 HydrophobicContact CG1-SD 4.16Å; F322-M327 HydrophobicContact CD1-CB 4.49Å; F322-M327 HydrophobicContact CD1-CE 3.9Å; F322-M327 HydrophobicContact CE1-CB 4.23Å; F322-M327 HydrophobicContact CE1-CE 3.66Å; F322-M327 HydrophobicContact CE1-SD 3.79Å; F322-M327 PolarHBondContact O-N 3.38Å; Q323-M327 WeakPolarHBondContact O-CB 3.16Å; M327-V330 PolarHBondContact O-N 3.35Å; M327-L331 HydrophobicContact CG-CD1 4.07Å; M327-L331 VanDerWaalsContact O-CG 3.32Å; M327-L331 WeakPolarHBondContact O-CG 3.36Å; M327-L331 PolarHBondContact O-N 2.93Å; M327-L331 HydrophobicContact SD-CD1 4.05Å; M327-L331 HydrophobicContact SD-CG 4.3Å; M327-P352 HydrophobicContact CE-CB 3.89Å; M327-P352 HydrophobicContact SD-CB 4.26Å
328K90.7Very high89.9Confident157 Ų15779.4 Ų79.468%0.68335%0.35SS*.Hα-helixtrans-61.9-48.4-179.2-177177.7173.1-178.80111.6Y326 V330 L331 E332Y326-K328 PolarHBondContact O-N 3.19Å; K328-V330 VanDerWaalsContact C-N 3.33Å; K328-V330 PolarHBondContact O-N 3.45Å; K328-L331 PolarHBondContact O-N 3.46Å; K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 WeakPolarHBondContact O-CB 3.41Å; K328-E332 WeakPolarHBondContact O-CG 3.34Å; K328-E332 PolarHBondContact O-N 3.31Å
329E93.2Very high89.3Confident82 Ų8276.1 Ų76.138%0.38333%0.332SS..Hα-helixtrans-59.7-42.9179.1-171-153.7145.800111.8K289 Y301 Y326 E332 F333K289-E329 WeakPolarHBondContact CE-OE1 3.46Å; K289-E329 IonicContact NZ-OE1 2.84Å; K289-E329 PolarHBondContact NZ-OE1 3.33Å; Y301-E329 PolarHBondContact OH-OE1 3.29Å; Y326-E329 PolarHBondContact O-N 3.16Å; E329-E332 PolarHBondContact O-N 3.42Å; E329-F333 WeakPolarHBondContact O-CB 3.3Å; E329-F333 PolarHBondContact O-N 3.38Å
330V92.8Very high88.5Confident0 Ų076.4 Ų76.40%033%0.332CS..Hα-helixtrans-69.7-40.6-178.9172.10000111.4I214 Y301 V303 V314 F322 Y326 M327 K328 F333 L334I214-V330 HydrophobicContact CD1-CG1 4.2Å; Y301-V330 HydrophobicContact CD2-CG2 4.03Å; Y301-V330 HydrophobicContact CE1-CG2 4.48Å; Y301-V330 HydrophobicContact CE2-CG2 3.49Å; Y301-V330 VanDerWaalsContact CE2-CG2 3.49Å; V303-V330 HydrophobicContact CG2-CG1 3.85Å; V314-V330 HydrophobicContact CG1-CG1 4.38Å; V314-V330 HydrophobicContact CG2-CG1 3.95Å; F322-V330 HydrophobicContact CE2-CG2 3.92Å; F322-V330 HydrophobicContact CZ-CB 4.06Å; F322-V330 HydrophobicContact CZ-CG1 4.22Å; F322-V330 HydrophobicContact CZ-CG2 3.97Å; Y326-V330 WeakPolarHBondContact O-CB 3.42Å; Y326-V330 WeakPolarHBondContact O-CG2 3.42Å; Y326-V330 PolarHBondContact O-N 3.17Å; M327-V330 PolarHBondContact O-N 3.35Å; K328-V330 VanDerWaalsContact C-N 3.33Å; K328-V330 PolarHBondContact O-N 3.45Å; V330-F333 WeakPolarHBondContact O-CB 3.39Å; V330-F333 PolarHBondContact O-N 3.47Å; V330-L334 HydrophobicContact CG1-CD1 4.19Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 3.27Å
331L89.5Confident87.6Confident54 Ų5475.3 Ų75.328%0.28333%0.33SS..Hα-helixtrans-64.3-43.6175.2-70.2173.9000111.6I214 M327 K328 F333 L334 E335 I340I214-L331 HydrophobicContact CD1-CD2 4.03Å; M327-L331 HydrophobicContact CG-CD1 4.07Å; M327-L331 VanDerWaalsContact O-CG 3.32Å; M327-L331 WeakPolarHBondContact O-CG 3.36Å; M327-L331 PolarHBondContact O-N 2.93Å; M327-L331 HydrophobicContact SD-CD1 4.05Å; M327-L331 HydrophobicContact SD-CG 4.3Å; K328-L331 PolarHBondContact O-N 3.46Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 PolarHBondContact O-N 3.1Å; L331-L334 PolarHBondContact O-N 3.27Å; L331-E335 WeakPolarHBondContact O-CG 3.13Å; L331-E335 PolarHBondContact O-N 2.91Å; L331-I340 HydrophobicContact CD2-CD1 3.91Å
332E89.5Confident86.3Confident106 Ų10680 Ų8050%0.49535%0.352SS..Hα-helixtrans-60.8-39.6173.9-74174.7-174.300111.6K328 E329 K336K328-E332 WeakPolarHBondContact CE-OE1 3.48Å; K328-E332 WeakPolarHBondContact O-CB 3.41Å; K328-E332 WeakPolarHBondContact O-CG 3.34Å; K328-E332 PolarHBondContact O-N 3.31Å; E329-E332 PolarHBondContact O-N 3.42Å; E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.05Å
333F90.6Very high84.8Confident34 Ų3484 Ų8415%0.14938%0.377CS..Hα-helixtrans-62-46174171.6-93000112I288 K289 E329 V330 L331 K336 H337I288-F333 HydrophobicContact CD1-CE1 4.05Å; I288-F333 HydrophobicContact CG1-CE1 4.29Å; K289-F333 HydrophobicContact CB-CD1 4.38Å; K289-F333 HydrophobicContact CB-CE1 3.83Å; K289-F333 HydrophobicContact CB-CE2 4.43Å; K289-F333 HydrophobicContact CB-CZ 3.86Å; K289-F333 HydrophobicContact CD-CB 4.15Å; K289-F333 HydrophobicContact CD-CD1 3.65Å; K289-F333 HydrophobicContact CD-CD2 3.62Å; K289-F333 HydrophobicContact CD-CE1 3.88Å; K289-F333 HydrophobicContact CD-CE2 3.84Å; K289-F333 HydrophobicContact CD-CG 3.51Å; K289-F333 HydrophobicContact CD-CZ 3.98Å; K289-F333 HydrophobicContact CG-CE1 4.5Å; K289-F333 HydrophobicContact CG-CZ 4.44Å; E329-F333 WeakPolarHBondContact O-CB 3.3Å; E329-F333 PolarHBondContact O-N 3.38Å; V330-F333 WeakPolarHBondContact O-CB 3.39Å; V330-F333 PolarHBondContact O-N 3.47Å; L331-F333 VanDerWaalsContact C-N 3.3Å; L331-F333 PolarHBondContact O-N 3.1Å; F333-K336 PolarHBondContact O-N 2.78Å; F333-H337 AromaticContact CD2-CE1 3.26Å; F333-H337 WeakPolarHBondContact CD2-CE1 3.5Å; F333-H337 AromaticContact CD2-ND1 3.33Å; F333-H337 VanDerWaalsContact CD2-ND1 3.33Å; F333-H337 WeakPolarHBondContact CD2-ND1 3.31Å; F333-H337 AromaticContact CE2-CE1 3.16Å; F333-H337 WeakPolarHBondContact CE2-CE1 3.3Å; F333-H337 AromaticContact CE2-ND1 3.36Å; F333-H337 WeakPolarHBondContact CE2-ND1 3.45Å; F333-H337 AromaticContact CE2-NE2 3.77Å; F333-H337 AromaticContact CG-ND1 3.85Å; F333-H337 AromaticContact CZ-ND1 3.88Å; F333-H337 PolarHBondContact O-N 3.1Å; F333-H337 PolarHBondContact O-ND1 3.25Å
334L88.6Confident83.8Confident0 Ų079.3 Ų79.30%036%0.356CS..Hα-helixtrans-65.7-39.2179.9-71.2174.9000111.9I288 V303 V312 V330 L331 K338 Y339 I340I288-L334 HydrophobicContact CD1-CD2 4.37Å; V303-L334 HydrophobicContact CG1-CD2 3.87Å; V312-L334 HydrophobicContact CG1-CD1 4.13Å; V312-L334 HydrophobicContact CG1-CD2 3.77Å; V330-L334 HydrophobicContact CG1-CD1 4.19Å; V330-L334 HydrophobicContact CG1-CG 4.44Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.38Å; V330-L334 PolarHBondContact O-N 3.27Å; L331-L334 PolarHBondContact O-N 3.27Å; L334-K338 PolarHBondContact O-N 2.79Å; L334-Y339 HydrophobicContact CD2-CD2 4.11Å; L334-Y339 HydrophobicContact CD2-CG 3.9Å; L334-Y339 WeakPolarHBondContact O-CB 3.3Å; L334-Y339 PolarHBondContact O-N 2.95Å; L334-I340 HydrophobicContact CB-CD1 3.58Å; L334-I340 HydrophobicContact CB-CG1 3.86Å; L334-I340 HydrophobicContact CD1-CD1 3.96Å; L334-I340 HydrophobicContact CG-CD1 4.43Å; L334-I340 PolarHBondContact O-N 2.86Å
335E86.1Confident82.6Confident81 Ų8176.8 Ų76.838%0.37935%0.35SS..Hα-helixtrans-65.7-49.8173.3-72.9-174.7169.500111.1L331 H337 K338 I340 K345L331-E335 WeakPolarHBondContact O-CG 3.13Å; L331-E335 PolarHBondContact O-N 2.91Å; E335-H337 VanDerWaalsContact C-N 3.27Å; E335-H337 PolarHBondContact O-N 3.04Å; E335-K338 PolarHBondContact O-N 3.15Å; E335-I340 HydrophobicContact CG-CB 3.84Å; E335-I340 HydrophobicContact CG-CD1 4.43Å; E335-I340 HydrophobicContact CG-CG2 3.84Å; E335-K345 IonicContact OE1-NZ 2.98Å; E335-K345 PolarHBondContact OE1-NZ 2.92Å
336K86.4Confident80.7Confident169 Ų16972.1 Ų72.174%0.73535%0.346SS*.Hα-helixtrans-57.8-38.4-179.8-178.4176.9179178.70112.7E332 F333 K338E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 PolarHBondContact O-N 3.05Å; F333-K336 PolarHBondContact O-N 2.78Å; K336-K338 VanDerWaalsContact C-N 3.33Å
337H84.8Confident79.3Confident58 Ų5875.5 Ų75.527%0.26937%0.366SS..THydrogen-bonded Turntrans-92.512-179.7-6281.8000113.3K309 F333 E335 Y339K309-H337 PolarHBondContact NZ-O 2.97Å; F333-H337 AromaticContact CD2-CE1 3.26Å; F333-H337 WeakPolarHBondContact CD2-CE1 3.5Å; F333-H337 AromaticContact CD2-ND1 3.33Å; F333-H337 VanDerWaalsContact CD2-ND1 3.33Å; F333-H337 WeakPolarHBondContact CD2-ND1 3.31Å; F333-H337 AromaticContact CE2-CE1 3.16Å; F333-H337 WeakPolarHBondContact CE2-CE1 3.3Å; F333-H337 AromaticContact CE2-ND1 3.36Å; F333-H337 WeakPolarHBondContact CE2-ND1 3.45Å; F333-H337 AromaticContact CE2-NE2 3.77Å; F333-H337 AromaticContact CG-ND1 3.85Å; F333-H337 AromaticContact CZ-ND1 3.88Å; F333-H337 PolarHBondContact O-N 3.1Å; F333-H337 PolarHBondContact O-ND1 3.25Å; E335-H337 VanDerWaalsContact C-N 3.27Å; E335-H337 PolarHBondContact O-N 3.04Å; H337-Y339 HydrophobicContact CB-CD2 3.63Å; H337-Y339 HydrophobicContact CB-CE2 3.58Å; H337-Y339 PolarHBondContact O-N 3.41Å
338K81.8Confident78.4Confident147 Ų14777.6 Ų77.664%0.63938%0.383SS*.THydrogen-bonded Turntrans60.528.8175.8-53.6-174.8179.9-175.20114.5L334 E335 K336 N341L334-K338 PolarHBondContact O-N 2.79Å; E335-K338 PolarHBondContact O-N 3.15Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K338-N341 VanDerWaalsContact CA-OD1 3.31Å; K338-N341 WeakPolarHBondContact CA-OD1 3.32Å; K338-N341 WeakPolarHBondContact CB-OD1 3.19Å; K338-N341 PolarHBondContact O-ND2 3.32Å; K338-N341 PolarHBondContact O-OD1 2.98Å
339Y79.3Confident77.2Confident10 Ų1071.9 Ų71.94%0.03936%0.359CS..SBendtrans-78-39.8164.7-69.5-89.4000109.8D197 I288 S305 K309 V312 L334 H337 I350D197-Y339 PolarHBondContact OD2-OH 2.99Å; D197-Y339 VanDerWaalsContact OD2-OH 3.13Å; I288-Y339 HydrophobicContact CD1-CD1 4.06Å; I288-Y339 HydrophobicContact CD1-CD2 4.14Å; I288-Y339 HydrophobicContact CD1-CE1 3.51Å; I288-Y339 HydrophobicContact CD1-CE2 3.62Å; I288-Y339 HydrophobicContact CD1-CG 4.37Å; S305-Y339 WeakPolarHBondContact OG-CE1 3.33Å; K309-Y339 HydrophobicContact CB-CD1 3.48Å; K309-Y339 VanDerWaalsContact CB-CD1 3.48Å; K309-Y339 HydrophobicContact CB-CE1 3.55Å; K309-Y339 HydrophobicContact CB-CG 4.3Å; K309-Y339 HydrophobicContact CD-CD1 4.16Å; K309-Y339 HydrophobicContact CD-CD2 4.47Å; K309-Y339 HydrophobicContact CD-CE1 3.95Å; K309-Y339 HydrophobicContact CD-CE2 4.27Å; K309-Y339 HydrophobicContact CD-CG 4.39Å; K309-Y339 HydrophobicContact CG-CD1 3.89Å; K309-Y339 HydrophobicContact CG-CE1 3.49Å; K309-Y339 VanDerWaalsContact CG-CE1 3.49Å; V312-Y339 HydrophobicContact CG2-CD1 3.73Å; V312-Y339 HydrophobicContact CG2-CG 4.36Å; L334-Y339 HydrophobicContact CD2-CD2 4.11Å; L334-Y339 HydrophobicContact CD2-CG 3.9Å; L334-Y339 WeakPolarHBondContact O-CB 3.3Å; L334-Y339 PolarHBondContact O-N 2.95Å; H337-Y339 HydrophobicContact CB-CD2 3.63Å; H337-Y339 HydrophobicContact CB-CE2 3.58Å; H337-Y339 PolarHBondContact O-N 3.41Å; Y339-I350 WeakPolarHBondContact O-CD1 3.39Å
340I72.8Confident76.3Confident16 Ų1668.9 Ų68.98%0.08235%0.346CS..SBendtrans-101.4109.6168.6-62.4168.4000107.9L331 L334 E335 T344 K345 I350L331-I340 HydrophobicContact CD2-CD1 3.91Å; L334-I340 HydrophobicContact CB-CD1 3.58Å; L334-I340 HydrophobicContact CB-CG1 3.86Å; L334-I340 HydrophobicContact CD1-CD1 3.96Å; L334-I340 HydrophobicContact CG-CD1 4.43Å; L334-I340 PolarHBondContact O-N 2.86Å; E335-I340 HydrophobicContact CG-CB 3.84Å; E335-I340 HydrophobicContact CG-CD1 4.43Å; E335-I340 HydrophobicContact CG-CG2 3.84Å; I340-T344 VanDerWaalsContact CA-OG1 3.29Å; I340-T344 WeakPolarHBondContact CA-OG1 3.32Å; I340-K345 HydrophobicContact CG2-CB 4.06Å; I340-I350 HydrophobicContact CD1-CG2 4.2Å; I340-I350 HydrophobicContact CG1-CB 4.3Å; I340-I350 HydrophobicContact CG1-CD1 3.63Å; I340-I350 HydrophobicContact CG1-CG2 4.31Å
341N70.6Confident75.6Confident78 Ų7870.1 Ų70.142%0.41736%0.356SS..  trans-106.1172.8170-63.8-29.9000110.1K338 V343 T344 K345K338-N341 VanDerWaalsContact CA-OD1 3.31Å; K338-N341 WeakPolarHBondContact CA-OD1 3.32Å; K338-N341 WeakPolarHBondContact CB-OD1 3.19Å; K338-N341 PolarHBondContact O-ND2 3.32Å; K338-N341 PolarHBondContact O-OD1 2.98Å; N341-V343 PolarHBondContact O-N 3.06Å; N341-V343 VanDerWaalsContact O-N 3.17Å; N341-T344 PolarHBondContact N-OG1 3.02Å; N341-T344 PolarHBondContact O-N 3.14Å; N341-T344 VanDerWaalsContact O-N 3.13Å; N341-T344 PolarHBondContact O-OG1 3.41Å; N341-K345 WeakPolarHBondContact O-CB 3.19Å; N341-K345 PolarHBondContact O-N 3.46Å
342F61.7Low75.2Confident165 Ų16571.2 Ų71.272%0.72437%0.367SS*.Hα-helixtrans-50.8-42.2176.8179.9-97.2000112.4K345 A346F342-K345 PolarHBondContact O-N 2.94Å; F342-A346 WeakPolarHBondContact O-CB 3.29Å; F342-A346 PolarHBondContact O-N 2.83Å
343V62.8Low74.8Confident88 Ų8868 Ų6853%0.53335%0.354SS..Hα-helixtrans-64.7-48.2178.6179.30000112.1N341 K345 A346 L347N341-V343 PolarHBondContact O-N 3.06Å; N341-V343 VanDerWaalsContact O-N 3.17Å; V343-K345 VanDerWaalsContact C-N 3.26Å; V343-K345 PolarHBondContact O-N 3.43Å; V343-A346 PolarHBondContact O-N 2.91Å; V343-L347 HydrophobicContact CG1-CD1 3.74Å; V343-L347 HydrophobicContact CG1-CG 4.43Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 WeakPolarHBondContact O-CG 3.24Å; V343-L347 PolarHBondContact O-N 2.95Å
344T67.3Low74.1Confident18 Ų1872.8 Ų72.811%0.1138%0.377CS..Hα-helixtrans-67.2-31.7-179.257.40000111.8I340 N341 S348 M349I340-T344 VanDerWaalsContact CA-OG1 3.29Å; I340-T344 WeakPolarHBondContact CA-OG1 3.32Å; N341-T344 PolarHBondContact N-OG1 3.02Å; N341-T344 PolarHBondContact O-N 3.14Å; N341-T344 VanDerWaalsContact O-N 3.13Å; N341-T344 PolarHBondContact O-OG1 3.41Å; T344-S348 PolarHBondContact O-N 2.94Å; T344-M349 HydrophobicContact CG2-CB 4.33Å; T344-M349 HydrophobicContact CG2-SD 3.88Å; T344-M349 PolarHBondContact O-N 2.77Å
345K67Low73.3Confident129 Ų12975.7 Ų75.756%0.56139%0.388SS*.Hα-helixtrans-72.1-46.2175.4-168169.4-172.6162.10111.4E335 I340 N341 F342 V343 L347 S348E335-K345 IonicContact OE1-NZ 2.98Å; E335-K345 PolarHBondContact OE1-NZ 2.92Å; I340-K345 HydrophobicContact CG2-CB 4.06Å; N341-K345 WeakPolarHBondContact O-CB 3.19Å; N341-K345 PolarHBondContact O-N 3.46Å; F342-K345 PolarHBondContact O-N 2.94Å; V343-K345 VanDerWaalsContact C-N 3.26Å; V343-K345 PolarHBondContact O-N 3.43Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.69Å; K345-S348 PolarHBondContact O-N 2.65Å
346A52.8Low72.8Confident66 Ų6681.1 Ų81.155%0.54541%0.411SS..Hα-helixtrans-65.2-34.7178.900000112.7F342 V343F342-A346 WeakPolarHBondContact O-CB 3.29Å; F342-A346 PolarHBondContact O-N 2.83Å; V343-A346 PolarHBondContact O-N 2.91Å
347L66.4Low72.3Confident99 Ų9978.3 Ų78.352%0.51840%0.4SS..THydrogen-bonded Turntrans-93.98.9180-63.5177.9000113.5H218 V343 K345 M349H218-L347 PolarHBondContact NE2-O 3.21Å; V343-L347 HydrophobicContact CG1-CD1 3.74Å; V343-L347 HydrophobicContact CG1-CG 4.43Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 WeakPolarHBondContact O-CG 3.24Å; V343-L347 PolarHBondContact O-N 2.95Å; K345-L347 VanDerWaalsContact C-N 3.32Å; K345-L347 PolarHBondContact O-N 2.69Å; L347-M349 HydrophobicContact CB-CG 3.6Å; L347-M349 HydrophobicContact CB-SD 4.16Å; L347-M349 HydrophobicContact CD1-SD 4.11Å; L347-M349 PolarHBondContact O-N 2.85Å
348S71.8Confident71.8Confident72 Ų7276.1 Ų76.150%0.50339%0.391SS..THydrogen-bonded Turntrans4836-176.6-58.50000113.4T344 K345 I350T344-S348 PolarHBondContact O-N 2.94Å; K345-S348 PolarHBondContact O-N 2.65Å; S348-I350 PolarHBondContact O-N 3.08Å
349M65.7Low71.1Confident37 Ų3776.6 Ų76.618%0.18240%0.396CS..  trans-71.3-15.8-176.3-54.3-174.463.400112.6S216 F310 T344 L347S216-M349 WeakPolarHBondContact CA-O 3.13Å; S216-M349 VanDerWaalsContact CB-O 3.22Å; S216-M349 WeakPolarHBondContact CB-O 3.3Å; S216-M349 PolarHBondContact OG-O 3.27Å; F310-M349 HydrophobicContact CE1-CE 4.16Å; F310-M349 HydrophobicContact CE2-CB 4.1Å; F310-M349 HydrophobicContact CE2-CE 3.8Å; F310-M349 HydrophobicContact CZ-CE 3.57Å; T344-M349 HydrophobicContact CG2-CB 4.33Å; T344-M349 HydrophobicContact CG2-SD 3.88Å; T344-M349 PolarHBondContact O-N 2.77Å; L347-M349 HydrophobicContact CB-CG 3.6Å; L347-M349 HydrophobicContact CB-SD 4.16Å; L347-M349 HydrophobicContact CD1-SD 4.11Å; L347-M349 PolarHBondContact O-N 2.85Å
350I74.7Confident70.4Confident19 Ų1977.8 Ų77.810%0.09740%0.401CS..SBendtrans-133.2116.3173-63171.5000105.5I214 T215 V312 Y339 I340 S348I214-I350 HydrophobicContact CG2-CG2 3.35Å; T215-I350 WeakPolarHBondContact O-CA 3.07Å; V312-I350 HydrophobicContact CB-CD1 3.94Å; V312-I350 HydrophobicContact CB-CG1 4.35Å; V312-I350 HydrophobicContact CG2-CD1 3.89Å; Y339-I350 WeakPolarHBondContact O-CD1 3.39Å; I340-I350 HydrophobicContact CD1-CG2 4.2Å; I340-I350 HydrophobicContact CG1-CB 4.3Å; I340-I350 HydrophobicContact CG1-CD1 3.63Å; I340-I350 HydrophobicContact CG1-CG2 4.31Å; S348-I350 PolarHBondContact O-N 3.08Å
351A78.1Confident69.5Low27 Ų2780.7 Ų80.722%0.22342%0.419CS..EExtended strand (participates in β ladder)trans-132.9139-174.500000111.1I214 T215 P217I214-A351 WeakPolarHBondContact CA-O 3.46Å; T215-A351 PolarHBondContact N-O 3.29Å; T215-A351 PolarHBondContact O-N 3.45Å; P217-A351 HydrophobicContact CG-CB 4.5Å
352P80.9Confident68.3Low77 Ų7781.6 Ų81.650%0.543%0.429SS..EExtended strand (participates in β ladder)trans-66147.5168.729.9-33.4000110.4V213 M327V213-P352 CarbonylContact O-C 3.56Å; V213-P352 WeakPolarHBondContact O-CA 3.32Å; M327-P352 HydrophobicContact CE-CB 3.89Å; M327-P352 HydrophobicContact SD-CB 4.26Å
353V80.8Confident67.7Low38 Ų3879.1 Ų79.123%0.2343%0.428CS..  trans-92.9128.6179179.80000109.7Q212 V213 T215 Y355Q212-V353 WeakPolarHBondContact O-CG2 3.35Å; V213-V353 PolarHBondContact O-N 3.34Å; T215-V353 HydrophobicContact CG2-CG2 3.93Å; V353-Y355 PolarHBondContact O-N 3.15Å
354E75.9Confident67Low134 Ų13478.1 Ų78.163%0.62642%0.416SS*.  trans-78.486.9175-64.5-161.9-165.600111.1K356 E357E354-K356 PolarHBondContact O-N 3.05Å; E354-K356 VanDerWaalsContact O-N 3.13Å; E354-E357 HydrophobicContact CB-CG 4.3Å; E354-E357 PolarHBondContact O-N 3.17Å
355Y72Confident65.6Low61 Ų6180 Ų8024%0.23943%0.431CS..G310 helixtrans-57.9-29.2-175.8-176-94.7000114.1F211 P319 V353 E357 C358 Y360F211-Y355 HydrophobicContact CD1-CD2 4.5Å; F211-Y355 AromaticContact CD1-CE2 3.65Å; F211-Y355 HydrophobicContact CD1-CE2 3.65Å; F211-Y355 AromaticContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CE1-CE2 3.89Å; F211-Y355 HydrophobicContact CG-CE2 4.32Å; P319-Y355 HydrophobicContact CB-CD1 4.49Å; P319-Y355 HydrophobicContact CB-CD2 3.74Å; P319-Y355 HydrophobicContact CB-CE2 4.2Å; P319-Y355 HydrophobicContact CB-CG 3.9Å; P319-Y355 HydrophobicContact CG-CD1 3.94Å; P319-Y355 HydrophobicContact CG-CD2 3.35Å; P319-Y355 HydrophobicContact CG-CE1 3.93Å; P319-Y355 HydrophobicContact CG-CE2 3.31Å; P319-Y355 HydrophobicContact CG-CG 3.67Å; V353-Y355 PolarHBondContact O-N 3.15Å; Y355-E357 PolarHBondContact O-N 3.33Å; Y355-C358 WeakPolarHBondContact O-CB 3.04Å; Y355-C358 PolarHBondContact O-N 2.86Å; Y355-C358 VanDerWaalsContact O-N 3.13Å; Y355-Y360 HydrophobicContact CD2-CD2 4.43Å; Y355-Y360 AromaticContact CD2-CE2 3.39Å; Y355-Y360 HydrophobicContact CD2-CE2 3.39Å; Y355-Y360 AromaticContact CD2-CZ 3.81Å; Y355-Y360 WeakPolarHBondContact CD2-OH 3.31Å; Y355-Y360 HydrophobicContact CE1-CD2 4.43Å; Y355-Y360 HydrophobicContact CE1-CE2 4.19Å; Y355-Y360 AromaticContact CE2-CD2 3.6Å; Y355-Y360 HydrophobicContact CE2-CD2 3.6Å; Y355-Y360 AromaticContact CE2-CE2 2.89Å; Y355-Y360 HydrophobicContact CE2-CE2 2.89Å; Y355-Y360 AromaticContact CE2-CZ 3.47Å; Y355-Y360 VanDerWaalsContact CE2-CZ 3.47Å; Y355-Y360 HydrophobicContact CG-CE2 4.21Å; Y355-Y360 AromaticContact CZ-CD2 3.58Å; Y355-Y360 AromaticContact CZ-CE2 3.35Å; Y355-Y360 WeakPolarHBondContact OH-CD2 3.4Å
356K75.8Confident64.1Low195 Ų19579 Ų7985%0.84844%0.439SS*.G310 helixtrans-63.6-26.4-176.9-67.6-175.7179.7-179.90113.6E354 C358E354-K356 PolarHBondContact O-N 3.05Å; E354-K356 VanDerWaalsContact O-N 3.13Å; K356-C358 VanDerWaalsContact C-N 3.32Å
357E74.6Confident63.1Low111 Ų11179.1 Ų79.152%0.51944%0.44SS..G310 helixtrans-83.5-15.7-179.4-53.9-171.4148.700112.1V252 E354 Y355 Q359V252-E357 HydrophobicContact CG1-CB 3.8Å; V252-E357 WeakPolarHBondContact CG1-O 3.28Å; E354-E357 HydrophobicContact CB-CG 4.3Å; E354-E357 PolarHBondContact O-N 3.17Å; Y355-E357 PolarHBondContact O-N 3.33Å; E357-Q359 PolarHBondContact O-N 2.94Å
358C75.4Confident61.5Low12 Ų1279.8 Ų79.88%0.08147%0.471CS..  trans-83110.3-176.3-68.50000111.6C224 Y355 K356 Y360C224-C358 WeakPolarHBondContact CA-SG 3.41Å; C224-C358 HydrophobicContact CB-CB 3.65Å; C224-C358 WeakPolarHBondContact CB-SG 3.49Å; C224-C358 WeakPolarHBondContact SG-CA 3.25Å; C224-C358 WeakPolarHBondContact SG-CB 3.21Å; C224-C358 CovalentContact SG-SG 2.03Å; C224-C358 PolarHBondContact SG-SG 3.11Å; Y355-C358 WeakPolarHBondContact O-CB 3.04Å; Y355-C358 PolarHBondContact O-N 2.86Å; Y355-C358 VanDerWaalsContact O-N 3.13Å; K356-C358 VanDerWaalsContact C-N 3.32Å; C358-Y360 HydrophobicContact CB-CD2 3.91Å; C358-Y360 HydrophobicContact CB-CE1 4.2Å; C358-Y360 HydrophobicContact CB-CE2 3.15Å; C358-Y360 WeakPolarHBondContact CB-OH 3.3Å; C358-Y360 WeakPolarHBondContact O-CD2 3.42Å; C358-Y360 PolarHBondContact O-N 3.18Å; C358-Y360 VanDerWaalsContact O-N 3.09Å
359Q66.1Low61Low157 Ų15780.2 Ų80.273%0.73447%0.469SS*.  trans-76.792.9166.6-66.5-179.1100109.4R248 E357R248-Q359 PolarHBondContact NH1-O 2.93Å; R248-Q359 PolarHBondContact NH2-O 3.06Å; E357-Q359 PolarHBondContact O-N 2.94Å
360Y64.9Low60.7Low35 Ų3582.4 Ų82.414%0.13749%0.485CS..  trans-78.8125.9168.2-59.2-77.4000108.6F211 C224 V226 Y355 C358F211-Y360 HydrophobicContact CD1-CE1 4.46Å; C224-Y360 WeakPolarHBondContact CA-OH 3.35Å; C224-Y360 HydrophobicContact CB-CE1 3.89Å; C224-Y360 WeakPolarHBondContact O-CE1 3.34Å; V226-Y360 HydrophobicContact CG2-CD1 3.45Å; V226-Y360 VanDerWaalsContact CG2-CD1 3.45Å; V226-Y360 HydrophobicContact CG2-CE1 3.16Å; Y355-Y360 HydrophobicContact CD2-CD2 4.43Å; Y355-Y360 AromaticContact CD2-CE2 3.39Å; Y355-Y360 HydrophobicContact CD2-CE2 3.39Å; Y355-Y360 AromaticContact CD2-CZ 3.81Å; Y355-Y360 WeakPolarHBondContact CD2-OH 3.31Å; Y355-Y360 HydrophobicContact CE1-CD2 4.43Å; Y355-Y360 HydrophobicContact CE1-CE2 4.19Å; Y355-Y360 AromaticContact CE2-CD2 3.6Å; Y355-Y360 HydrophobicContact CE2-CD2 3.6Å; Y355-Y360 AromaticContact CE2-CE2 2.89Å; Y355-Y360 HydrophobicContact CE2-CE2 2.89Å; Y355-Y360 AromaticContact CE2-CZ 3.47Å; Y355-Y360 VanDerWaalsContact CE2-CZ 3.47Å; Y355-Y360 HydrophobicContact CG-CE2 4.21Å; Y355-Y360 AromaticContact CZ-CD2 3.58Å; Y355-Y360 AromaticContact CZ-CE2 3.35Å; Y355-Y360 WeakPolarHBondContact OH-CD2 3.4Å; C358-Y360 HydrophobicContact CB-CD2 3.91Å; C358-Y360 HydrophobicContact CB-CE1 4.2Å; C358-Y360 HydrophobicContact CB-CE2 3.15Å; C358-Y360 WeakPolarHBondContact CB-OH 3.3Å; C358-Y360 WeakPolarHBondContact O-CD2 3.42Å; C358-Y360 PolarHBondContact O-N 3.18Å; C358-Y360 VanDerWaalsContact O-N 3.09Å
361T53.5Low59.9Low76 Ų7685.9 Ų85.947%0.46651%0.506SS..  trans-62.9138.3175.839.70000109.6T363 F364 S365T361-T363 PolarHBondContact O-N 3.49Å; T361-F364 PolarHBondContact O-N 2.87Å; T361-F364 WeakPolarHBondContact OG1-CD2 3.21Å; T361-F364 WeakPolarHBondContact OG1-CE2 3.38Å; T361-S365 PolarHBondContact O-N 3.43Å; T361-S365 PolarHBondContact O-OG 3.32Å
362P47Very low58.9Low98 Ų9889.4 Ų89.464%0.63652%0.523SS*.Hα-helixtrans-59-21.5-171.916.9-28.9000114.6F364 S365 S366P362-F364 PolarHBondContact O-N 3.48Å; P362-F364 VanDerWaalsContact O-N 3.14Å; P362-S365 WeakPolarHBondContact CA-OG 3.41Å; P362-S365 PolarHBondContact O-N 3.09Å; P362-S365 VanDerWaalsContact O-N 3.12Å; P362-S366 WeakPolarHBondContact O-CB 3.4Å; P362-S366 PolarHBondContact O-N 3.26Å; P362-S366 VanDerWaalsContact O-N 3.08Å
363T47.8Very low57.5Low112 Ų11290.2 Ų90.269%0.68752%0.524SS*.Hα-helixtrans-55.9-25.7169.46.70000113.1T361T361-T363 PolarHBondContact O-N 3.49Å
364F48.4Very low55.9Low67 Ų6793.7 Ų93.729%0.29454%0.544SS..Hα-helixtrans-107-11.5176.9-55.8-64.6000113.6R209 F246 T361 P362R209-F364 PolarHBondContact NH1-O 3.25Å; F246-F364 HydrophobicContact CD1-CE2 4.2Å; F246-F364 HydrophobicContact CD1-CZ 4.05Å; F246-F364 HydrophobicContact CD2-CD1 4.14Å; F246-F364 AromaticContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE1 3.82Å; F246-F364 HydrophobicContact CD2-CE2 4.42Å; F246-F364 AromaticContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CD2-CZ 3.97Å; F246-F364 HydrophobicContact CE1-CE1 4.19Å; F246-F364 HydrophobicContact CE1-CE2 4.08Å; F246-F364 AromaticContact CE1-CZ 3.53Å; F246-F364 HydrophobicContact CE1-CZ 3.53Å; F246-F364 AromaticContact CE2-CD1 3.88Å; F246-F364 HydrophobicContact CE2-CD1 3.88Å; F246-F364 AromaticContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE1 3.17Å; F246-F364 HydrophobicContact CE2-CE2 4.28Å; F246-F364 AromaticContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CE2-CZ 3.42Å; F246-F364 VanDerWaalsContact CE2-CZ 3.42Å; F246-F364 HydrophobicContact CG-CE2 4.38Å; F246-F364 HydrophobicContact CG-CZ 4.26Å; F246-F364 HydrophobicContact CZ-CD1 4.47Å; F246-F364 AromaticContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE1 3.41Å; F246-F364 VanDerWaalsContact CZ-CE1 3.41Å; F246-F364 HydrophobicContact CZ-CE2 4.12Å; F246-F364 AromaticContact CZ-CZ 3.18Å; F246-F364 HydrophobicContact CZ-CZ 3.18Å; T361-F364 PolarHBondContact O-N 2.87Å; T361-F364 WeakPolarHBondContact OG1-CD2 3.21Å; T361-F364 WeakPolarHBondContact OG1-CE2 3.38Å; P362-F364 PolarHBondContact O-N 3.48Å; P362-F364 VanDerWaalsContact O-N 3.14Å
365S38.6Very low54.5Low59 Ų5990.8 Ų90.841%0.41354%0.538SS..Hα-helixtrans-82.6-32.1175.3-38.50000111.9R209 T361 P362R209-S365 VanDerWaalsContact NH1-C 3.32Å; R209-S365 PolarHBondContact NH1-O 3.45Å; T361-S365 PolarHBondContact O-N 3.43Å; T361-S365 PolarHBondContact O-OG 3.32Å; P362-S365 WeakPolarHBondContact CA-OG 3.41Å; P362-S365 PolarHBondContact O-N 3.09Å; P362-S365 VanDerWaalsContact O-N 3.12Å
366S35.1Very low53.2Low106 Ų10693.1 Ų93.174%0.74156%0.561SS**SBendtrans-95.4-2.8-166.4-168.10000116.7P362 G368P362-S366 WeakPolarHBondContact O-CB 3.4Å; P362-S366 PolarHBondContact O-N 3.26Å; P362-S366 VanDerWaalsContact O-N 3.08Å; S366-G368 PolarHBondContact O-N 2.84Å
367A32.2Very low51.3Low69 Ų6984.6 Ų84.657%0.5754%0.537SS*.  trans-89.390.7171.100000108.7R209R209-A367 PolarHBondContact NH1-O 3.28Å; R209-A367 PolarHBondContact NH2-O 3.45Å; R209-A367 VanDerWaalsContact NH2-O 3.15Å
368G31.9Very low49.2Very low113 Ų11382.2 Ų82.2100%1.16554%0.539SS*.  trans-670171.600000111.9S366S366-G368 PolarHBondContact O-N 2.84Å

Retrieved 368 of 368 residues in 151.9 ms (Link to these results)