A0A087X374_POEFO Loading...

Fibroblast growth factor 23

AlphaFold DB , UniProt , Accession A0A087X374, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low45.7Very low241 Ų241162.1 Ų162.1100%1.18785%0.853SS**  0128.50-74.2144.687.500108.5
2N39.4Very low46.2Very low154 Ų154161.7 Ų161.782%0.82485%0.85SS**  trans48.298.9169.3-77.2-29.4000118.6
3V40.5Very low46.8Very low131 Ų131162.1 Ų162.179%0.79485%0.852SS**  76.2103.172.3-179.90000114.2
4S40.3Very low47.1Very low96 Ų96162 Ų16267%0.67185%0.852SS**  trans72.1118.6140.9-164.70000120.2
5K44.9Very low47.6Very low207 Ų207156.4 Ų156.490%0.984%0.838SS**  -163.2151.3104.3-101.4169.7-174.3-179.30113.6
6R53.4Low47.8Very low236 Ų236154.8 Ų154.889%0.89184%0.835SS**  trans-74.7176.9-167.9-91.5-177.4-172.5-169.24114.1
7P47.2Very low48.1Very low119 Ų119154.7 Ų154.777%0.77383%0.833SS**  trans-96.7160.4-13538.4-37.1000115.5
8G44.3Very low48.4Very low70 Ų70157.4 Ų157.472%0.72284%0.84SS**  65.478.3118.100000117.3R10G8-R10 PolarHBondContact O-N 3.28Å
9M49.8Very low48.2Very low197 Ų197152.9 Ų152.997%0.9784%0.835SS**  trans-67.4108.1165.6-156.2175.8-63.300109.2
10R52.2Low48.1Very low243 Ų243153.6 Ų153.692%0.91784%0.836SS**  trans-108.9119.2167.2-82.9-170.3170.3-172.1-2.2109.4G8G8-R10 PolarHBondContact O-N 3.28Å
11A52.5Low48.1Very low89 Ų89154.1 Ų154.174%0.73684%0.838SS**  trans-60.3146.8171.900000112
12L52.2Low48.5Very low157 Ų157150 Ų15082%0.82282%0.819SS**  trans-170.8108130.6-104.8144.3000109.4L14L12-L14 PolarHBondContact O-N 3.43Å
13L53.8Low48.7Very low167 Ų167145.5 Ų145.587%0.87481%0.808SS**  trans-75.2109.1169.5-144.1100.2000107.2
14L51.3Low48.8Very low161 Ų161147.6 Ų147.684%0.84381%0.81SS**  trans-130.888.2160.9-78.6172.5000107.2L12L12-L14 PolarHBondContact O-N 3.43Å
15A53.8Low49.1Very low78 Ų78147.6 Ų147.665%0.64582%0.815SS**  trans-67.6161.7155.200000108.7
16V51.2Low49.2Very low130 Ų130141.8 Ų141.879%0.78880%0.801SS**  trans112.3113.3162.1-174.20000113.6
17L53.3Low49Very low154 Ų154136 Ų13681%0.80679%0.794SS**  trans78.791.9163.6-60.9156000117.2
18Q53.1Low49Very low204 Ų204137.2 Ų137.295%0.95379%0.793SS**  176.687.2122.8-92.5161.118.600109.6
19G44.9Very low49.4Very low72 Ų72138 Ų13874%0.74279%0.786SS**  trans-156.445.1171.400000108.9L21G19-L21 PolarHBondContact O-N 3.07Å
20L45Very low49.2Very low165 Ų165132.1 Ų132.186%0.86476%0.764SS**  trans-62111.3162-89.1157000105.5I22L20-I22 VanDerWaalsContact C-N 3.34Å; L20-I22 PolarHBondContact O-N 2.84Å
21L48.1Very low48.9Very low166 Ų166125.6 Ų125.687%0.86975%0.754SS**  trans-40.1106.1153.6-75.4148.2000106.9G19 G23G19-L21 PolarHBondContact O-N 3.07Å; L21-G23 PolarHBondContact O-N 2.9Å
22I47Very low48.6Very low155 Ų155127.2 Ų127.280%0.79575%0.749SS**  trans-72.773.2152.3-55.1173000103.5L20 E24L20-I22 VanDerWaalsContact C-N 3.34Å; L20-I22 PolarHBondContact O-N 2.84Å; I22-E24 HydrophobicContact CG2-CG 4.36Å; I22-E24 PolarHBondContact O-N 3.41Å
23G44.6Very low48.1Very low58 Ų58123.4 Ų123.460%0.59874%0.74SS**  trans-62.3101146.700000103.1L21 A25L21-G23 PolarHBondContact O-N 2.9Å; G23-A25 PolarHBondContact O-N 2.74Å
24E41.2Very low47.4Very low176 Ų176119.3 Ų119.382%0.82274%0.738SS**  trans-5297.5151.7-86.7174.6120.100104.5I22 S26I22-E24 HydrophobicContact CG2-CG 4.36Å; I22-E24 PolarHBondContact O-N 3.41Å; E24-S26 PolarHBondContact O-N 3.05Å
25A46.6Very low47Very low95 Ų95113.1 Ų113.179%0.78571%0.709SS**  trans-63.582.5157.100000103.7G23 P27G23-A25 PolarHBondContact O-N 2.74Å; A25-P27 VanDerWaalsContact O-N 3.12Å
26S48.8Very low46.7Very low86 Ų86115.1 Ų115.160%0.60171%0.708SS**  trans-41.9124156.6173.60000104.5E24 N28E24-S26 PolarHBondContact O-N 3.05Å; S26-N28 VanDerWaalsContact C-N 3.25Å; S26-N28 WeakPolarHBondContact O-CA 3.47Å; S26-N28 PolarHBondContact O-N 3.4Å
27P47.6Very low46.6Very low114 Ų114115.3 Ų115.374%0.7470%0.695SS**  trans-56.2102.8-178.621.9-30.3000104.8A25 P29A25-P27 VanDerWaalsContact O-N 3.12Å; P27-P29 VanDerWaalsContact C-N 3.3Å; P27-P29 WeakPolarHBondContact O-CD 2.94Å
28N47.3Very low45.9Very low144 Ų144110.4 Ų110.477%0.7768%0.682SS**  trans-59.2101.4-168.4-156.3-4.1000103.6S26 S30S26-N28 VanDerWaalsContact C-N 3.25Å; S26-N28 WeakPolarHBondContact O-CA 3.47Å; S26-N28 PolarHBondContact O-N 3.4Å; N28-S30 VanDerWaalsContact C-N 3.33Å; N28-S30 PolarHBondContact O-N 3.28Å
29P53Low45.5Very low86 Ų86104.7 Ų104.756%0.55866%0.657SS**  trans-65.3114.3-178.226.6-26.5000101P27 A33P27-P29 VanDerWaalsContact C-N 3.3Å; P27-P29 WeakPolarHBondContact O-CD 2.94Å; P29-A33 HydrophobicContact CB-CB 4.12Å
30S46Very low45.5Very low74 Ų74106.8 Ų106.852%0.51766%0.658SS.*  trans-38.6136.9179.9-62.20000107N28 L32 A33N28-S30 VanDerWaalsContact C-N 3.33Å; N28-S30 PolarHBondContact O-N 3.28Å; S30-L32 CarbonylContact O-C 3.58Å; S30-L32 PolarHBondContact O-N 3.4Å; S30-A33 WeakPolarHBondContact O-CB 3.47Å; S30-A33 PolarHBondContact O-N 2.74Å
31P45.1Very low46Very low107 Ų107108.5 Ų108.570%0.69565%0.653SS**THydrogen-bonded Turntrans-59.71.5-177.921.4-31.9000113.5S35P31-S35 WeakPolarHBondContact O-CB 3.34Å
32L46Very low47.2Very low123 Ų123107.1 Ų107.164%0.64464%0.636SS**THydrogen-bonded Turntrans-89.5-21170.5-50.6-178.1000114.6S30 S35S30-L32 CarbonylContact O-C 3.58Å; S30-L32 PolarHBondContact O-N 3.4Å; L32-S35 PolarHBondContact O-N 3.32Å
33A43.3Very low49.2Very low77 Ų77102.2 Ų102.264%0.63661%0.608SS**THydrogen-bonded Turntrans-76.3-31.7-174.700000112.8P29 S30P29-A33 HydrophobicContact CB-CB 4.12Å; S30-A33 WeakPolarHBondContact O-CB 3.47Å; S30-A33 PolarHBondContact O-N 2.74Å
34G38.4Very low51.6Low80 Ų80100.2 Ų100.283%0.82558%0.584SS**SBendtrans-97.1-3.2168.400000113.6N36G34-N36 PolarHBondContact O-N 2.83Å
35S42.7Very low54.1Low32 Ų3291.8 Ų91.822%0.22455%0.545CS..  trans-85.4114.5179.2-133.20000108.6P31 L32 W37 G38P31-S35 WeakPolarHBondContact O-CB 3.34Å; L32-S35 PolarHBondContact O-N 3.32Å; S35-W37 PolarHBondContact O-N 2.68Å; S35-G38 PolarHBondContact O-N 3.13Å; S35-G38 VanDerWaalsContact O-N 3.14Å
36N48.1Very low56.6Low119 Ų11987.3 Ų87.364%0.63651%0.508SS*.THydrogen-bonded Turntrans-53.3-6.4165.258.43000113.6G34 G38 R42G34-N36 PolarHBondContact O-N 2.83Å; N36-G38 PolarHBondContact O-N 3.47Å; N36-R42 PolarHBondContact O-NH1 2.86Å
37W48.4Very low58.8Low135 Ų13584.3 Ų84.351%0.51148%0.484SS..THydrogen-bonded Turntrans-67.30.9168.2-68.188.4000116.2S35 H121S35-W37 PolarHBondContact O-N 2.68Å; W37-H121 AromaticContact CH2-CE1 3.17Å; W37-H121 WeakPolarHBondContact CH2-CE1 3.42Å; W37-H121 AromaticContact CH2-ND1 3.75Å; W37-H121 AromaticContact CH2-NE2 3.73Å; W37-H121 AromaticContact CZ2-CE1 3.46Å; W37-H121 VanDerWaalsContact CZ2-CE1 3.46Å; W37-H121 WeakPolarHBondContact CZ2-CE1 3.28Å
38G38.1Very low61.1Low51 Ų5178.9 Ų78.953%0.52645%0.449SS..  trans-101.733-16700000119.1S35 N36S35-G38 PolarHBondContact O-N 3.13Å; S35-G38 VanDerWaalsContact O-N 3.14Å; N36-G38 PolarHBondContact O-N 3.47Å
39N45.2Very low63.1Low83 Ų8373.6 Ų73.644%0.44442%0.423SS..  trans-121.1101.5158.2-168.5-23000109.9R41 R42N39-R41 PolarHBondContact O-N 3.12Å; N39-R41 PolarHBondContact OD1-N 2.66Å; N39-R42 HydrophobicContact CB-CG 4.01Å; N39-R42 PolarHBondContact O-N 3.46Å
40P44.9Very low64.8Low117 Ų11771.6 Ų71.676%0.7641%0.41SS*.THydrogen-bonded Turntrans-66.24.1-175.925-32.5000114.5
41R56Low66.8Low201 Ų20175.6 Ų75.676%0.75843%0.425SS*.THydrogen-bonded Turntrans-116.926174.3-63.5-170.1178.5-162.42.1113.8N39 Y43N39-R41 PolarHBondContact O-N 3.12Å; N39-R41 PolarHBondContact OD1-N 2.66Å; R41-Y43 PolarHBondContact O-N 2.71Å
42R73.8Confident68.8Low136 Ų13677.9 Ų77.951%0.51343%0.431SS..  trans-82.398.2173.5-74.5-178-172.1155.77.8110.7N36 N39N36-R42 PolarHBondContact O-NH1 2.86Å; N39-R42 HydrophobicContact CB-CG 4.01Å; N39-R42 PolarHBondContact O-N 3.46Å
43Y88.3Confident70.9Confident52 Ų5275.9 Ų75.920%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-63.6129.5160-61.5-59.3000109.6R41 V76 I77 L78 V92 N166 L170R41-Y43 PolarHBondContact O-N 2.71Å; Y43-V76 HydrophobicContact CD1-CG1 3.98Å; Y43-V76 HydrophobicContact CG-CG1 4.04Å; Y43-I77 WeakPolarHBondContact CA-O 3.47Å; Y43-L78 HydrophobicContact CD1-CB 4.37Å; Y43-L78 HydrophobicContact CE1-CB 4.43Å; Y43-V92 HydrophobicContact CD1-CB 4.49Å; Y43-V92 HydrophobicContact CD1-CG1 4.37Å; Y43-V92 HydrophobicContact CD1-CG2 3.51Å; Y43-V92 HydrophobicContact CE1-CB 4.26Å; Y43-V92 HydrophobicContact CE1-CG1 3.75Å; Y43-V92 HydrophobicContact CE1-CG2 3.48Å; Y43-V92 VanDerWaalsContact CE1-CG2 3.48Å; Y43-N166 WeakPolarHBondContact O-CB 3.23Å; Y43-N166 PolarHBondContact O-N 2.83Å; Y43-N166 VanDerWaalsContact O-N 3.15Å; Y43-L170 HydrophobicContact CD2-CD2 3.34Å; Y43-L170 HydrophobicContact CE2-CD1 4.35Å; Y43-L170 HydrophobicContact CE2-CD2 3.38Å; Y43-L170 HydrophobicContact CE2-CG 4.49Å; Y43-L170 HydrophobicContact CG-CD2 4.38Å
44V94.1Very high73.3Confident16 Ų1674.8 Ų74.810%0.09741%0.406CS..EExtended strand (participates in β ladder)trans-132.3165.7-179.2-62.50000110.8L46 I77 L79 P163 K164V44-L46 HydrophobicContact CG2-CD2 4.36Å; V44-I77 HydrophobicContact CG2-CB 4.32Å; V44-I77 PolarHBondContact N-O 2.84Å; V44-I77 PolarHBondContact O-N 2.81Å; V44-L79 HydrophobicContact CG2-CD1 4.24Å; V44-L79 HydrophobicContact CG2-CG 4.21Å; V44-P163 HydrophobicContact CB-CB 4.46Å; V44-P163 HydrophobicContact CG1-CB 4.42Å; V44-K164 CarbonylContact C-O 3.45Å; V44-K164 WeakPolarHBondContact CA-O 3.21Å; V44-K164 VanDerWaalsContact CB-O 3.28Å; V44-K164 WeakPolarHBondContact CB-O 3.43Å
45H95.4Very high76Confident0 Ų072.1 Ų72.10%037%0.372CS..EExtended strand (participates in β ladder)trans-109.4125.1162.3-61.6-96.2000107.3Q47 Y56 R71 T72 S75 K164 N166H45-Q47 PolarHBondContact O-N 3.06Å; H45-Y56 HydrophobicContact CB-CD1 3.59Å; H45-Y56 HydrophobicContact CB-CE1 4.02Å; H45-Y56 HydrophobicContact CB-CG 4.44Å; H45-R71 HydrophobicContact CB-CG 4.38Å; H45-T72 PolarHBondContact CE1-O 2.49Å; H45-S75 PolarHBondContact CE1-OG 2.84Å; H45-S75 VanDerWaalsContact CE1-OG 3.22Å; H45-S75 PolarHBondContact ND1-O 3.18Å; H45-S75 PolarHBondContact ND1-OG 2.89Å; H45-K164 HydrophobicContact CB-CB 4.44Å; H45-K164 PolarHBondContact N-O 2.59Å; H45-K164 PolarHBondContact O-N 3.09Å; H45-N166 PolarHBondContact NE2-OD1 3.31Å
46L97.1Very high78.6Confident0 Ų071.7 Ų71.70%037%0.366CS..EExtended strand (participates in β ladder)trans-81.8101.5173.9-67.5-177.7000108.7V44 Y56 L57 I77 L79 I89 Y131 F161 P163V44-L46 HydrophobicContact CG2-CD2 4.36Å; L46-Y56 WeakPolarHBondContact O-CA 3.31Å; L46-L57 HydrophobicContact CB-CB 4.06Å; L46-L57 HydrophobicContact CD1-CD2 3.86Å; L46-L57 PolarHBondContact O-N 2.88Å; L46-I77 HydrophobicContact CD1-CG2 4.27Å; L46-I77 HydrophobicContact CG-CG1 4.43Å; L46-I77 HydrophobicContact CG-CG2 4.4Å; L46-L79 HydrophobicContact CD1-CD2 4.29Å; L46-L79 HydrophobicContact CD2-CD1 4.38Å; L46-L79 HydrophobicContact CD2-CD2 4.47Å; L46-I89 HydrophobicContact CD1-CD1 4.34Å; L46-I89 HydrophobicContact CD1-CG2 4.3Å; L46-Y131 HydrophobicContact CD1-CE2 3.95Å; L46-Y131 HydrophobicContact CD2-CE2 4.23Å; L46-F161 HydrophobicContact CB-CD1 3.89Å; L46-P163 HydrophobicContact CD2-CB 4.39Å; L46-P163 HydrophobicContact CD2-CG 4.21Å
47Q96.5Very high81Confident23 Ų2366 Ų6611%0.10734%0.335CS..EExtended strand (participates in β ladder)trans-86.8134.4-178.3-173.1-172.6-5.800110.7H45 T54 F55 Y56 F161 L162 K164H45-Q47 PolarHBondContact O-N 3.06Å; Q47-T54 HydrophobicContact CG-CG2 3.56Å; Q47-T54 PolarHBondContact NE2-OG1 3.49Å; Q47-F55 CarbonylContact C-O 3.55Å; Q47-F55 WeakPolarHBondContact CA-O 3.32Å; Q47-Y56 HydrophobicContact CB-CD1 3.85Å; Q47-Y56 HydrophobicContact CB-CE1 3.73Å; Q47-Y56 HydrophobicContact CG-CD1 4.15Å; Q47-Y56 HydrophobicContact CG-CE1 3.78Å; Q47-F161 CarbonylContact O-C 3.53Å; Q47-F161 VanDerWaalsContact O-CA 3.25Å; Q47-F161 WeakPolarHBondContact O-CA 3.43Å; Q47-L162 HydrophobicContact CB-CB 4.38Å; Q47-L162 WeakPolarHBondContact CB-O 3.26Å; Q47-L162 PolarHBondContact N-O 3.27Å; Q47-L162 PolarHBondContact O-N 2.66Å; Q47-K164 HydrophobicContact CB-CG 4.08Å; Q47-K164 VanDerWaalsContact OE1-CG 3.24Å
48T95.1Very high83.3Confident1 Ų160.9 Ų60.91%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-116.4155.6161.6-175.30000108.8F55 L142 Q157 T158 L160T48-F55 HydrophobicContact CG2-CB 3.82Å; T48-F55 HydrophobicContact CG2-CD2 4.42Å; T48-F55 PolarHBondContact N-O 2.97Å; T48-F55 PolarHBondContact O-N 2.8Å; T48-L142 HydrophobicContact CG2-CD1 3.52Å; T48-Q157 PolarHBondContact OG1-O 3.03Å; T48-T158 WeakPolarHBondContact OG1-CA 3.36Å; T48-L160 WeakPolarHBondContact CB-O 3.29Å; T48-L160 PolarHBondContact OG1-O 3.43Å
49S90.3Very high86.1Confident32 Ų3258.5 Ų58.522%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-135.3134.2177.5-62.30000108.8N53 T54S49-N53 WeakPolarHBondContact CA-O 3.18Å; S49-T54 PolarHBondContact OG-OG1 3.5Å; S49-T54 VanDerWaalsContact OG-OG1 3.13Å
50T88.3Confident88.5Confident45 Ų4557.9 Ų57.928%0.27628%0.284SS..  trans-98.8179.3162.265.60000108.8L52 N53 F55 T158T50-L52 PolarHBondContact O-N 3.32Å; T50-L52 VanDerWaalsContact O-N 3.12Å; T50-N53 PolarHBondContact N-O 3.13Å; T50-N53 PolarHBondContact OG1-N 3.35Å; T50-N53 PolarHBondContact OG1-O 3.39Å; T50-F55 HydrophobicContact CG2-CE2 4.18Å; T50-T158 HydrophobicContact CG2-CG2 3.93Å
51D86.9Confident90.8Very high157 Ų15755.2 Ų55.284%0.8427%0.266SS*.SBendtrans-60.2-23.9179.3-57.1-29.7000113.1
52L86.9Confident92.6Very high156 Ų15650.4 Ų50.482%0.81726%0.256SS*.SBendtrans-109.6-37.9-174.2-58.2177.1000112.7T50T50-L52 PolarHBondContact O-N 3.32Å; T50-L52 VanDerWaalsContact O-N 3.12Å
53N90.4Very high93.5Very high81 Ų8144.6 Ų44.643%0.43324%0.238SC..  trans-135.6147.9-165-71.235.7000112S49 T50 F55S49-N53 WeakPolarHBondContact CA-O 3.18Å; T50-N53 PolarHBondContact N-O 3.13Å; T50-N53 PolarHBondContact OG1-N 3.35Å; T50-N53 PolarHBondContact OG1-O 3.39Å; N53-F55 HydrophobicContact CB-CD2 4.35Å; N53-F55 HydrophobicContact CB-CE1 4.1Å; N53-F55 HydrophobicContact CB-CE2 3.47Å; N53-F55 VanDerWaalsContact CB-CE2 3.47Å; N53-F55 HydrophobicContact CB-CZ 3.33Å
54T94.1Very high93.8Very high54 Ų5443.5 Ų43.533%0.33124%0.24SC..EExtended strand (participates in β ladder)trans-98.9138.6167-77.90000110Q47 S49 Y56Q47-T54 HydrophobicContact CG-CG2 3.56Å; Q47-T54 PolarHBondContact NE2-OG1 3.49Å; S49-T54 PolarHBondContact OG-OG1 3.5Å; S49-T54 VanDerWaalsContact OG-OG1 3.13Å; T54-Y56 HydrophobicContact CG2-CE2 4.03Å
55F95.7Very high93.9Very high24 Ų2444.4 Ų44.411%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-131.4159.1174.8-51.7-82.2000111.3Q47 T48 T50 N53 R67 A68 T69Q47-F55 CarbonylContact C-O 3.55Å; Q47-F55 WeakPolarHBondContact CA-O 3.32Å; T48-F55 HydrophobicContact CG2-CB 3.82Å; T48-F55 HydrophobicContact CG2-CD2 4.42Å; T48-F55 PolarHBondContact N-O 2.97Å; T48-F55 PolarHBondContact O-N 2.8Å; T50-F55 HydrophobicContact CG2-CE2 4.18Å; N53-F55 HydrophobicContact CB-CD2 4.35Å; N53-F55 HydrophobicContact CB-CE1 4.1Å; N53-F55 HydrophobicContact CB-CE2 3.47Å; N53-F55 VanDerWaalsContact CB-CE2 3.47Å; N53-F55 HydrophobicContact CB-CZ 3.33Å; F55-R67 HydrophobicContact CB-CB 4Å; F55-R67 HydrophobicContact CB-CG 4.28Å; F55-R67 HydrophobicContact CD1-CB 3.91Å; F55-R67 HydrophobicContact CG-CB 4.09Å; F55-R67 HydrophobicContact CG-CG 4.41Å; F55-A68 CarbonylContact C-O 3.46Å; F55-A68 VanDerWaalsContact CA-O 3.23Å; F55-A68 WeakPolarHBondContact CA-O 3.21Å; F55-T69 HydrophobicContact CD1-CG2 3.93Å; F55-T69 HydrophobicContact CE1-CG2 3.82Å
56Y96.8Very high93.8Very high23 Ų2350.5 Ų50.59%0.0927%0.268CS..EExtended strand (participates in β ladder)trans-120.9144173.6-57.9-84.4000109.5H45 L46 Q47 T54 E58 A68 R71H45-Y56 HydrophobicContact CB-CD1 3.59Å; H45-Y56 HydrophobicContact CB-CE1 4.02Å; H45-Y56 HydrophobicContact CB-CG 4.44Å; L46-Y56 WeakPolarHBondContact O-CA 3.31Å; Q47-Y56 HydrophobicContact CB-CD1 3.85Å; Q47-Y56 HydrophobicContact CB-CE1 3.73Å; Q47-Y56 HydrophobicContact CG-CD1 4.15Å; Q47-Y56 HydrophobicContact CG-CE1 3.78Å; T54-Y56 HydrophobicContact CG2-CE2 4.03Å; Y56-E58 PolarHBondContact O-N 3.43Å; Y56-A68 PolarHBondContact N-O 3.04Å; Y56-A68 PolarHBondContact O-N 3.48Å; Y56-R71 HydrophobicContact CD1-CG 4.22Å; Y56-R71 HydrophobicContact CD2-CG 4.21Å; Y56-R71 HydrophobicContact CE1-CG 3.82Å; Y56-R71 HydrophobicContact CE2-CG 3.84Å; Y56-R71 HydrophobicContact CG-CG 4.38Å; Y56-R71 PolarHBondContact OH-NE 2.88Å
57L97.6Very high93.7Very high0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-60.9122.8168.2171.663.9000109.3L46 I59 V65 S75 I77 I89 L98 F140 L142L46-L57 HydrophobicContact CB-CB 4.06Å; L46-L57 HydrophobicContact CD1-CD2 3.86Å; L46-L57 PolarHBondContact O-N 2.88Å; L57-I59 HydrophobicContact CD1-CG1 4.36Å; L57-I59 HydrophobicContact CD2-CD1 4.49Å; L57-I59 HydrophobicContact CG-CG1 4.37Å; L57-V65 HydrophobicContact CD1-CG1 3.55Å; L57-S75 VanDerWaalsContact O-CA 3.23Å; L57-S75 WeakPolarHBondContact O-CA 3.15Å; L57-S75 VanDerWaalsContact O-CB 3.23Å; L57-S75 WeakPolarHBondContact O-CB 3.18Å; L57-I77 HydrophobicContact CD2-CD1 4.01Å; L57-I77 HydrophobicContact CD2-CG1 4.19Å; L57-I77 HydrophobicContact CG-CD1 4.24Å; L57-I89 HydrophobicContact CD2-CG2 3.88Å; L57-L98 HydrophobicContact CD2-CD2 4.34Å; L57-F140 HydrophobicContact CD1-CE1 4.14Å; L57-F140 HydrophobicContact CD1-CZ 3.84Å; L57-F140 HydrophobicContact CD2-CE1 4.29Å; L57-L142 HydrophobicContact CD1-CD2 3.68Å
58E96.8Very high93.5Very high27 Ų2754.6 Ų54.613%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-118.3130.8173.4-174176.579.600110.4Y56 R60 V65 R66 A68 T72Y56-E58 PolarHBondContact O-N 3.43Å; E58-R60 HydrophobicContact CG-CG 4.17Å; E58-V65 WeakPolarHBondContact O-CA 3.25Å; E58-R66 PolarHBondContact N-O 3.49Å; E58-R66 PolarHBondContact O-N 3.27Å; E58-A68 HydrophobicContact CB-CB 3.96Å; E58-T72 PolarHBondContact OE2-OG1 2.92Å
59I97.6Very high93.5Very high0 Ų059.5 Ų59.50%032%0.315CS..EExtended strand (participates in β ladder)trans-117.5106.7175.1-57.6176.9000107.9L57 Y74 I77 S94 R96 L98 T108L57-I59 HydrophobicContact CD1-CG1 4.36Å; L57-I59 HydrophobicContact CD2-CD1 4.49Å; L57-I59 HydrophobicContact CG-CG1 4.37Å; I59-Y74 PolarHBondContact N-O 3.15Å; I59-Y74 VanDerWaalsContact N-O 3.13Å; I59-I77 HydrophobicContact CD1-CD1 3.96Å; I59-I77 HydrophobicContact CG1-CD1 4.29Å; I59-S94 WeakPolarHBondContact CG2-OG 3.46Å; I59-S94 WeakPolarHBondContact O-CB 3.21Å; I59-S94 PolarHBondContact O-OG 2.86Å; I59-R96 HydrophobicContact CG2-CB 4.1Å; I59-L98 HydrophobicContact CD1-CB 4.09Å; I59-T108 HydrophobicContact CG2-CG2 3.78Å
60R95.1Very high93.6Very high71 Ų7161 Ų6127%0.26833%0.325SS..  trans-83.9162.9-175.2-67.1-160.2-46.7-169.3-0.4112.9E58 D62 G63 A64E58-R60 HydrophobicContact CG-CG 4.17Å; R60-D62 VanDerWaalsContact C-N 3.26Å; R60-D62 WeakPolarHBondContact CB-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 3.95Å; R60-D62 IonicContact CZ-OD2 3.32Å; R60-D62 VanDerWaalsContact CZ-OD2 3.32Å; R60-D62 IonicContact NE-OD1 3.27Å; R60-D62 PolarHBondContact NE-OD1 3.14Å; R60-D62 IonicContact NE-OD2 3.43Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD1 3.84Å; R60-D62 IonicContact NH2-OD2 2.66Å; R60-D62 PolarHBondContact NH2-OD2 3.46Å; R60-D62 PolarHBondContact O-N 2.76Å; R60-G63 PolarHBondContact O-N 2.78Å; R60-A64 HydrophobicContact CB-CB 4.5Å; R60-A64 PolarHBondContact N-O 3.15Å
61P93.1Very high93.8Very high61 Ų6161.9 Ų61.940%0.39632%0.323SS..THydrogen-bonded Turntrans-60.9-33.5178.9-22.933.1000114.1G63 Y74 R96P61-G63 PolarHBondContact O-N 3.18Å; P61-Y74 HydrophobicContact CG-CD1 4.21Å; P61-Y74 HydrophobicContact CG-CE1 3.3Å; P61-Y74 HydrophobicContact CG-CE2 4.45Å; P61-Y74 VanDerWaalsContact CG-CZ 3.43Å; P61-Y74 VanDerWaalsContact CG-OH 3.25Å; P61-Y74 WeakPolarHBondContact CG-OH 3.36Å; P61-R96 PolarHBondContact O-NE 2.79Å; P61-R96 PolarHBondContact O-NH2 2.83Å
62D93.9Very high94Very high100 Ų10055 Ų5554%0.53529%0.287SS..THydrogen-bonded Turntrans-69.5-6.6175.966.8-13.6000112.9R60 A64R60-D62 VanDerWaalsContact C-N 3.26Å; R60-D62 WeakPolarHBondContact CB-OD1 3.47Å; R60-D62 IonicContact CZ-OD1 3.95Å; R60-D62 IonicContact CZ-OD2 3.32Å; R60-D62 VanDerWaalsContact CZ-OD2 3.32Å; R60-D62 IonicContact NE-OD1 3.27Å; R60-D62 PolarHBondContact NE-OD1 3.14Å; R60-D62 IonicContact NE-OD2 3.43Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD1 3.84Å; R60-D62 IonicContact NH2-OD2 2.66Å; R60-D62 PolarHBondContact NH2-OD2 3.46Å; R60-D62 PolarHBondContact O-N 2.76Å; D62-A64 WeakPolarHBondContact OD1-CB 3.21Å; D62-A64 PolarHBondContact OD1-N 2.84Å; D62-A64 VanDerWaalsContact OD1-N 3.09Å
63G92.8Very high94.3Very high14 Ų1447.7 Ų47.714%0.14425%0.249CC..  trans892.6178.800000114.3R60 P61 T108R60-G63 PolarHBondContact O-N 2.78Å; P61-G63 PolarHBondContact O-N 3.18Å; G63-T108 WeakPolarHBondContact CA-OG1 3.42Å; G63-T108 VanDerWaalsContact O-CG2 3.25Å; G63-T108 WeakPolarHBondContact O-CG2 3.46Å; G63-T108 PolarHBondContact O-OG1 2.81Å
64A95.3Very high94.5Very high29 Ų2946.7 Ų46.724%0.2424%0.239CC..  trans-70.1136175.500000111.3R60 D62 R66R60-A64 HydrophobicContact CB-CB 4.5Å; R60-A64 PolarHBondContact N-O 3.15Å; D62-A64 WeakPolarHBondContact OD1-CB 3.21Å; D62-A64 PolarHBondContact OD1-N 2.84Å; D62-A64 VanDerWaalsContact OD1-N 3.09Å; A64-R66 HydrophobicContact CB-CG 4.3Å
65V96.3Very high94.6Very high35 Ų3544.1 Ų44.121%0.21222%0.224CC..EExtended strand (participates in β ladder)trans-100.4120.3171.7-176.90000108L57 E58 L98 T108 F140 L142L57-V65 HydrophobicContact CD1-CG1 3.55Å; E58-V65 WeakPolarHBondContact O-CA 3.25Å; V65-L98 HydrophobicContact CG1-CD1 4.13Å; V65-L98 HydrophobicContact CG2-CD1 3.69Å; V65-T108 HydrophobicContact CG2-CG2 3.49Å; V65-T108 VanDerWaalsContact CG2-CG2 3.49Å; V65-F140 HydrophobicContact CG1-CE2 4.43Å; V65-F140 HydrophobicContact CG1-CZ 4.1Å; V65-L142 HydrophobicContact CG1-CD2 4.35Å
66R93.3Very high94.6Very high128 Ų12843 Ų4348%0.48322%0.219SC..EExtended strand (participates in β ladder)trans-137.1167.7-173.5-62-171.172.7175.40.9112.4E58 A64E58-R66 PolarHBondContact N-O 3.49Å; E58-R66 PolarHBondContact O-N 3.27Å; A64-R66 HydrophobicContact CB-CG 4.3Å
67R94.3Very high94.6Very high101 Ų10141.9 Ų41.938%0.38121%0.214SC..EExtended strand (participates in β ladder)trans-89.1122.7165.6-65.5-173.6-70.4-171.4-6.8109.2F55 L142 E143F55-R67 HydrophobicContact CB-CB 4Å; F55-R67 HydrophobicContact CB-CG 4.28Å; F55-R67 HydrophobicContact CD1-CB 3.91Å; F55-R67 HydrophobicContact CG-CB 4.09Å; F55-R67 HydrophobicContact CG-CG 4.41Å; R67-L142 HydrophobicContact CG-CB 3.92Å; R67-L142 HydrophobicContact CG-CD1 4.22Å; R67-L142 HydrophobicContact CG-CD2 4.41Å; R67-L142 HydrophobicContact CG-CG 4.43Å; R67-E143 IonicContact CZ-OE1 3.7Å; R67-E143 IonicContact NH1-OE1 2.76Å; R67-E143 PolarHBondContact NH1-OE1 3.48Å; R67-E143 IonicContact NH2-OE1 3.95Å
68A93.8Very high94.4Very high8 Ų843.1 Ų43.17%0.06622%0.221CC..EExtended strand (participates in β ladder)trans-101.6135.9167.800000110.1F55 Y56 E58 S70 T72F55-A68 CarbonylContact C-O 3.46Å; F55-A68 VanDerWaalsContact CA-O 3.23Å; F55-A68 WeakPolarHBondContact CA-O 3.21Å; Y56-A68 PolarHBondContact N-O 3.04Å; Y56-A68 PolarHBondContact O-N 3.48Å; E58-A68 HydrophobicContact CB-CB 3.96Å; A68-S70 VanDerWaalsContact C-N 3.28Å; A68-S70 WeakPolarHBondContact CB-O 3.24Å; A68-T72 HydrophobicContact CB-CG2 4.45Å
69T93.9Very high94.2Very high104 Ų10443.6 Ų43.664%0.63822%0.224SC*.SBendtrans-81.3-9.2176.953.20000113.3F55F55-T69 HydrophobicContact CD1-CG2 3.93Å; F55-T69 HydrophobicContact CE1-CG2 3.82Å
70S92.5Very high93.9Very high63 Ų6346.9 Ų46.944%0.44124%0.238SC..SBendtrans-135.5163.5177.362.80000110.3A68 T72A68-S70 VanDerWaalsContact C-N 3.28Å; A68-S70 WeakPolarHBondContact CB-O 3.24Å; S70-T72 PolarHBondContact O-N 2.04Å
71R92.3Very high93.7Very high64 Ų6447.3 Ų47.324%0.24226%0.257CS..  trans-74.6114.8172.7-65.4-179-1681587.6108.4H45 Y56H45-R71 HydrophobicContact CB-CG 4.38Å; Y56-R71 HydrophobicContact CD1-CG 4.22Å; Y56-R71 HydrophobicContact CD2-CG 4.21Å; Y56-R71 HydrophobicContact CE1-CG 3.82Å; Y56-R71 HydrophobicContact CE2-CG 3.84Å; Y56-R71 HydrophobicContact CG-CG 4.38Å; Y56-R71 PolarHBondContact OH-NE 2.88Å
72T92.3Very high93.6Very high12 Ų1247.7 Ų47.77%0.07425%0.253CS..  trans-111.2170.2177.474.90000109.8H45 E58 A68 S70 Y74 S75H45-T72 PolarHBondContact CE1-O 2.49Å; E58-T72 PolarHBondContact OE2-OG1 2.92Å; A68-T72 HydrophobicContact CB-CG2 4.45Å; S70-T72 PolarHBondContact O-N 2.04Å; T72-Y74 PolarHBondContact O-N 2.69Å; T72-Y74 PolarHBondContact OG1-N 3.01Å; T72-S75 PolarHBondContact N-OG 2.91Å; T72-S75 PolarHBondContact O-N 2.85Å; T72-S75 PolarHBondContact O-OG 3.22Å; T72-S75 PolarHBondContact OG1-N 2.91Å; T72-S75 VanDerWaalsContact OG1-N 3.13Å
73S92.6Very high93.4Very high3 Ų345.6 Ų45.62%0.02124%0.244CC..G310 helixtrans-66.2-23.3172.353.40000112.5K93 L173 D202S73-K93 VanDerWaalsContact CB-CD 3.45Å; S73-K93 VanDerWaalsContact O-CB 3.27Å; S73-K93 WeakPolarHBondContact O-CB 3.38Å; S73-K93 VanDerWaalsContact OG-CD 3.26Å; S73-K93 WeakPolarHBondContact OG-CD 3.37Å; S73-K93 PolarHBondContact OG-NZ 2.75Å; S73-L173 WeakPolarHBondContact O-CD2 3.21Å; S73-D202 PolarHBondContact OG-O 3.12Å
74Y95.4Very high93.1Very high60 Ų6055.4 Ų55.424%0.23528%0.277CS..G310 helixtrans-86.3-13.3174.7-68.5-65.2000114.6I59 P61 T72 V76 K93I59-Y74 PolarHBondContact N-O 3.15Å; I59-Y74 VanDerWaalsContact N-O 3.13Å; P61-Y74 HydrophobicContact CG-CD1 4.21Å; P61-Y74 HydrophobicContact CG-CE1 3.3Å; P61-Y74 HydrophobicContact CG-CE2 4.45Å; P61-Y74 VanDerWaalsContact CG-CZ 3.43Å; P61-Y74 VanDerWaalsContact CG-OH 3.25Å; P61-Y74 WeakPolarHBondContact CG-OH 3.36Å; T72-Y74 PolarHBondContact O-N 2.69Å; T72-Y74 PolarHBondContact OG1-N 3.01Å; Y74-V76 VanDerWaalsContact C-N 3.32Å; Y74-K93 HydrophobicContact CD1-CB 3.91Å; Y74-K93 HydrophobicContact CD1-CD 3.91Å; Y74-K93 HydrophobicContact CD1-CG 3.85Å; Y74-K93 HydrophobicContact CD2-CD 4.43Å; Y74-K93 HydrophobicContact CE1-CB 4.04Å; Y74-K93 HydrophobicContact CE1-CD 3.61Å; Y74-K93 HydrophobicContact CE1-CG 3.48Å; Y74-K93 VanDerWaalsContact CE1-CG 3.48Å; Y74-K93 HydrophobicContact CE2-CD 4.21Å; Y74-K93 HydrophobicContact CG-CD 4.3Å; Y74-K93 VanDerWaalsContact CZ-CE 3.4Å; Y74-K93 WeakPolarHBondContact OH-CE 3.29Å
75S96Very high92.9Very high0 Ų060.2 Ų60.20%029%0.294CS..G310 helixtrans-89.62.6171.469.50000113.4H45 L57 T72 I77H45-S75 PolarHBondContact CE1-OG 2.84Å; H45-S75 VanDerWaalsContact CE1-OG 3.22Å; H45-S75 PolarHBondContact ND1-O 3.18Å; H45-S75 PolarHBondContact ND1-OG 2.89Å; L57-S75 VanDerWaalsContact O-CA 3.23Å; L57-S75 WeakPolarHBondContact O-CA 3.15Å; L57-S75 VanDerWaalsContact O-CB 3.23Å; L57-S75 WeakPolarHBondContact O-CB 3.18Å; T72-S75 PolarHBondContact N-OG 2.91Å; T72-S75 PolarHBondContact O-N 2.85Å; T72-S75 PolarHBondContact O-OG 3.22Å; T72-S75 PolarHBondContact OG1-N 2.91Å; T72-S75 VanDerWaalsContact OG1-N 3.13Å; S75-I77 PolarHBondContact O-N 3.24Å
76V95.1Very high92.7Very high0 Ų062.9 Ų62.90%030%0.301CS..  trans-77.3115.8173.8-173.30000110.3Y43 Y74 V92 N166 V168 L173Y43-V76 HydrophobicContact CD1-CG1 3.98Å; Y43-V76 HydrophobicContact CG-CG1 4.04Å; Y74-V76 VanDerWaalsContact C-N 3.32Å; V76-V92 HydrophobicContact CG1-CB 4.39Å; V76-V92 HydrophobicContact CG1-CG2 4.09Å; V76-V92 WeakPolarHBondContact O-CG2 3.37Å; V76-V92 PolarHBondContact O-N 3.31Å; V76-N166 WeakPolarHBondContact CG2-OD1 3.12Å; V76-V168 HydrophobicContact CG2-CB 4.05Å; V76-V168 HydrophobicContact CG2-CG2 4.09Å; V76-L173 HydrophobicContact CB-CD1 4.17Å; V76-L173 HydrophobicContact CB-CD2 4Å; V76-L173 HydrophobicContact CG1-CD1 3.73Å; V76-L173 HydrophobicContact CG1-CD2 4.48Å; V76-L173 HydrophobicContact CG2-CD1 4.18Å; V76-L173 HydrophobicContact CG2-CD2 3.75Å
77I95.8Very high92.8Very high0 Ų057 Ų570%028%0.279CS..EExtended strand (participates in β ladder)trans-111.5139.7-176.4-56.2-54.5000110Y43 V44 L46 L57 I59 S75 L79 I89 F90Y43-I77 WeakPolarHBondContact CA-O 3.47Å; V44-I77 HydrophobicContact CG2-CB 4.32Å; V44-I77 PolarHBondContact N-O 2.84Å; V44-I77 PolarHBondContact O-N 2.81Å; L46-I77 HydrophobicContact CD1-CG2 4.27Å; L46-I77 HydrophobicContact CG-CG1 4.43Å; L46-I77 HydrophobicContact CG-CG2 4.4Å; L57-I77 HydrophobicContact CD2-CD1 4.01Å; L57-I77 HydrophobicContact CD2-CG1 4.19Å; L57-I77 HydrophobicContact CG-CD1 4.24Å; I59-I77 HydrophobicContact CD1-CD1 3.96Å; I59-I77 HydrophobicContact CG1-CD1 4.29Å; S75-I77 PolarHBondContact O-N 3.24Å; I77-L79 HydrophobicContact CG2-CD2 4.05Å; I77-I89 HydrophobicContact CG2-CG2 3.69Å; I77-F90 CarbonylContact C-O 3.56Å; I77-F90 WeakPolarHBondContact CA-O 3.25Å
78L93.8Very high92.9Very high25 Ų2552.4 Ų52.413%0.13126%0.263CS..EExtended strand (participates in β ladder)trans-108.8118.9165.4179.563.3000108.8Y43 K80 F90 V92Y43-L78 HydrophobicContact CD1-CB 4.37Å; Y43-L78 HydrophobicContact CE1-CB 4.43Å; L78-K80 HydrophobicContact CD2-CG 4.13Å; L78-K80 HydrophobicContact CG-CG 4.05Å; L78-F90 HydrophobicContact CB-CB 4.42Å; L78-F90 HydrophobicContact CB-CD1 4.22Å; L78-F90 HydrophobicContact CD2-CD1 4.43Å; L78-F90 PolarHBondContact N-O 3.25Å; L78-F90 WeakPolarHBondContact O-CB 3.39Å; L78-F90 PolarHBondContact O-N 3.48Å; L78-V92 HydrophobicContact CB-CG2 3.89Å
79L93.4Very high93.1Very high37 Ų3752 Ų5219%0.19426%0.259CS..EExtended strand (participates in β ladder)trans-85.8109.9173.1-61.6177.4000109.1V44 L46 I77 L87 I89V44-L79 HydrophobicContact CG2-CD1 4.24Å; V44-L79 HydrophobicContact CG2-CG 4.21Å; L46-L79 HydrophobicContact CD1-CD2 4.29Å; L46-L79 HydrophobicContact CD2-CD1 4.38Å; L46-L79 HydrophobicContact CD2-CD2 4.47Å; I77-L79 HydrophobicContact CG2-CD2 4.05Å; L79-L87 HydrophobicContact CB-CD2 4.45Å; L79-L87 HydrophobicContact CD2-CD1 4Å; L79-I89 HydrophobicContact CD2-CG1 3.9Å
80K91.7Very high93.2Very high70 Ų7048 Ų4830%0.30423%0.233SC..EExtended strand (participates in β ladder)trans-99.299.6-179.2-66.4178.1179.6168.90109.5L78 E82 L87 A88 F90 Y97L78-K80 HydrophobicContact CD2-CG 4.13Å; L78-K80 HydrophobicContact CG-CG 4.05Å; K80-E82 PolarHBondContact O-N 3.05Å; K80-L87 CarbonylContact O-C 3.59Å; K80-L87 VanDerWaalsContact O-CA 3.25Å; K80-L87 WeakPolarHBondContact O-CA 3.41Å; K80-L87 WeakPolarHBondContact O-CB 3.37Å; K80-A88 HydrophobicContact CB-CB 4.29Å; K80-A88 PolarHBondContact N-O 3Å; K80-A88 PolarHBondContact O-N 3.13Å; K80-F90 HydrophobicContact CD-CB 4.32Å; K80-Y97 HydrophobicContact CD-CE1 4.08Å; K80-Y97 PolarHBondContact NZ-OH 3.43Å
81A90.9Very high93.3Very high80 Ų8045 Ų4566%0.66121%0.212SC*.EExtended strand (participates in β ladder)trans-65.9127.8177.500000111.3
82E90.1Very high93.3Very high68 Ų6842.7 Ų42.732%0.31821%0.205SC..SBendtrans-90.7-42.7164.4-173.6-172.8-125.100109.7K80 R86 R114 L118K80-E82 PolarHBondContact O-N 3.05Å; E82-R86 PolarHBondContact N-O 2.75Å; E82-R86 IonicContact OE2-CZ 3.65Å; E82-R86 IonicContact OE2-NE 3.88Å; E82-R86 IonicContact OE2-NH1 3.66Å; E82-R86 IonicContact OE2-NH2 2.75Å; E82-R86 PolarHBondContact OE2-NH2 2.81Å; E82-R114 IonicContact OE1-CZ 3.38Å; E82-R114 IonicContact OE1-NE 2.86Å; E82-R114 PolarHBondContact OE1-NE 3.4Å; E82-R114 IonicContact OE1-NH2 3.13Å; E82-R114 PolarHBondContact OE1-NH2 2.99Å; E82-R114 VanDerWaalsContact OE1-NH2 3.13Å; E82-L118 HydrophobicContact CB-CD1 4.46Å; E82-L118 HydrophobicContact CB-CD2 4.49Å; E82-L118 VanDerWaalsContact CD-CD1 3.4Å; E82-L118 HydrophobicContact CG-CD1 4.48Å; E82-L118 WeakPolarHBondContact OE1-CD1 3.41Å; E82-L118 WeakPolarHBondContact OE2-CD1 3.22Å
83T90.3Very high93.3Very high57 Ų5743.7 Ų43.735%0.3521%0.208SC..SBendtrans-139.9-177.1175.7640000109.1E85 R86T83-E85 PolarHBondContact O-N 3.46Å; T83-E85 PolarHBondContact OG1-N 3.17Å; T83-R86 PolarHBondContact N-O 2.75Å; T83-R86 VanDerWaalsContact O-O 3.1Å; T83-R86 WeakPolarHBondContact OG1-CB 3.01Å; T83-R86 PolarHBondContact OG1-N 3.15Å; T83-R86 VanDerWaalsContact OG1-N 3.12Å
84R86.8Confident93.4Very high219 Ų21944.1 Ų44.183%0.82621%0.212SC*.SBendtrans-61.1-29.1175.3-173.2177.7177.6-179.6-1.1113
85E90Very high93.3Very high130 Ų13046.2 Ų46.261%0.60723%0.227SC*.SBendtrans-112.2-8-171.9-68.7155-166.400112.5T83 N120 H121T83-E85 PolarHBondContact O-N 3.46Å; T83-E85 PolarHBondContact OG1-N 3.17Å; E85-N120 CarbonylContact O-C 3.44Å; E85-N120 WeakPolarHBondContact O-CA 3.43Å; E85-H121 PolarHBondContact O-N 3.3Å
86R93Very high93.3Very high91 Ų9149.6 Ų49.634%0.34324%0.24SC..EExtended strand (participates in β ladder)trans-131136.1-176.6-65.1-178.7-66.8158.44.5112.1E82 T83 F119 N120 T134E82-R86 PolarHBondContact N-O 2.75Å; E82-R86 IonicContact OE2-CZ 3.65Å; E82-R86 IonicContact OE2-NE 3.88Å; E82-R86 IonicContact OE2-NH1 3.66Å; E82-R86 IonicContact OE2-NH2 2.75Å; E82-R86 PolarHBondContact OE2-NH2 2.81Å; T83-R86 PolarHBondContact N-O 2.75Å; T83-R86 VanDerWaalsContact O-O 3.1Å; T83-R86 WeakPolarHBondContact OG1-CB 3.01Å; T83-R86 PolarHBondContact OG1-N 3.15Å; T83-R86 VanDerWaalsContact OG1-N 3.12Å; R86-F119 VanDerWaalsContact CA-O 3.25Å; R86-F119 WeakPolarHBondContact CA-O 3.38Å; R86-N120 WeakPolarHBondContact CG-OD1 3.37Å; R86-T134 HydrophobicContact CG-CG2 4.25Å
87L95.1Very high93.5Very high6 Ų651.4 Ų51.43%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-147.8160.9-179.761.279.4000112.4L79 K80 I89 F119 H121 Y131L79-L87 HydrophobicContact CB-CD2 4.45Å; L79-L87 HydrophobicContact CD2-CD1 4Å; K80-L87 CarbonylContact O-C 3.59Å; K80-L87 VanDerWaalsContact O-CA 3.25Å; K80-L87 WeakPolarHBondContact O-CA 3.41Å; K80-L87 WeakPolarHBondContact O-CB 3.37Å; L87-I89 HydrophobicContact CD1-CD1 4.38Å; L87-I89 HydrophobicContact CD1-CG1 3.62Å; L87-F119 PolarHBondContact N-O 2.95Å; L87-F119 PolarHBondContact O-N 3.39Å; L87-H121 HydrophobicContact CD2-CB 3.91Å; L87-H121 HydrophobicContact CG-CB 4.23Å; L87-Y131 HydrophobicContact CD1-CD1 4.14Å; L87-Y131 HydrophobicContact CD1-CE1 4.02Å; L87-Y131 HydrophobicContact CD2-CE1 4.06Å; L87-Y131 HydrophobicContact CG-CE1 4.42Å
88A96.4Very high93.6Very high4 Ų451.4 Ų51.43%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-100.2140.116600000110K80 Y97 L118K80-A88 HydrophobicContact CB-CB 4.29Å; K80-A88 PolarHBondContact N-O 3Å; K80-A88 PolarHBondContact O-N 3.13Å; A88-Y97 HydrophobicContact CB-CD1 3.97Å; A88-Y97 HydrophobicContact CB-CE1 4.13Å; A88-L118 HydrophobicContact CB-CD2 3.86Å
89I97.3Very high93.8Very high0 Ų050.2 Ų50.20%024%0.241CC..EExtended strand (participates in β ladder)trans-98.9115.8174.9-64.5170.6000107.6L46 L57 I77 L79 L87 Y97 L98 F119 Y131L46-I89 HydrophobicContact CD1-CD1 4.34Å; L46-I89 HydrophobicContact CD1-CG2 4.3Å; L57-I89 HydrophobicContact CD2-CG2 3.88Å; I77-I89 HydrophobicContact CG2-CG2 3.69Å; L79-I89 HydrophobicContact CD2-CG1 3.9Å; L87-I89 HydrophobicContact CD1-CD1 4.38Å; L87-I89 HydrophobicContact CD1-CG1 3.62Å; I89-Y97 WeakPolarHBondContact O-CA 3.17Å; I89-L98 HydrophobicContact CB-CB 4.03Å; I89-L98 HydrophobicContact CB-CD2 4.19Å; I89-L98 HydrophobicContact CD1-CD2 3.92Å; I89-L98 HydrophobicContact CG2-CB 4.02Å; I89-L98 HydrophobicContact CG2-CD2 4Å; I89-L98 PolarHBondContact O-N 3.14Å; I89-F119 HydrophobicContact CD1-CD2 4.12Å; I89-F119 HydrophobicContact CD1-CE2 4.46Å; I89-F119 HydrophobicContact CG1-CD2 4.38Å; I89-Y131 HydrophobicContact CD1-CD1 4.13Å; I89-Y131 HydrophobicContact CD1-CD2 4.08Å; I89-Y131 HydrophobicContact CD1-CE2 4.48Å; I89-Y131 HydrophobicContact CD1-CG 3.88Å
90F95.9Very high94Very high18 Ų1848.6 Ų48.68%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-119.8118.9-173.4-179.3-103.4000111.8I77 L78 K80 V92 N95 Y97I77-F90 CarbonylContact C-O 3.56Å; I77-F90 WeakPolarHBondContact CA-O 3.25Å; L78-F90 HydrophobicContact CB-CB 4.42Å; L78-F90 HydrophobicContact CB-CD1 4.22Å; L78-F90 HydrophobicContact CD2-CD1 4.43Å; L78-F90 PolarHBondContact N-O 3.25Å; L78-F90 WeakPolarHBondContact O-CB 3.39Å; L78-F90 PolarHBondContact O-N 3.48Å; K80-F90 HydrophobicContact CD-CB 4.32Å; F90-V92 PolarHBondContact O-N 3.16Å; F90-N95 HydrophobicContact CZ-CB 4.43Å; F90-N95 VanDerWaalsContact CZ-OD1 3.31Å; F90-N95 WeakPolarHBondContact CZ-OD1 3.31Å; F90-Y97 HydrophobicContact CB-CD1 4.14Å; F90-Y97 HydrophobicContact CB-CE1 4.12Å; F90-Y97 AromaticContact CD2-CD1 3.74Å; F90-Y97 HydrophobicContact CD2-CD1 3.74Å; F90-Y97 AromaticContact CD2-CD2 3.94Å; F90-Y97 HydrophobicContact CD2-CD2 3.94Å; F90-Y97 AromaticContact CD2-CE1 3.6Å; F90-Y97 HydrophobicContact CD2-CE1 3.6Å; F90-Y97 AromaticContact CD2-CE2 3.8Å; F90-Y97 HydrophobicContact CD2-CE2 3.8Å; F90-Y97 AromaticContact CD2-CG 3.91Å; F90-Y97 HydrophobicContact CD2-CG 3.91Å; F90-Y97 AromaticContact CD2-CZ 3.62Å; F90-Y97 HydrophobicContact CE2-CD2 4.21Å; F90-Y97 HydrophobicContact CE2-CE1 4.41Å; F90-Y97 AromaticContact CE2-CE2 3.86Å; F90-Y97 HydrophobicContact CE2-CE2 3.86Å; F90-Y97 AromaticContact CE2-CZ 3.97Å; F90-Y97 HydrophobicContact CG-CD1 4.41Å; F90-Y97 HydrophobicContact CG-CE1 4.18Å
91G95.8Very high94.1Very high0 Ų047 Ų470%023%0.227CC..EExtended strand (participates in β ladder)trans-74115.3171.600000110.4N95 R96G91-N95 WeakPolarHBondContact O-CA 3.46Å; G91-N95 PolarHBondContact O-N 2.96Å; G91-R96 PolarHBondContact N-O 3.05Å; G91-R96 PolarHBondContact O-N 2.88Å
92V92.6Very high94.3Very high16 Ų1646.7 Ų46.710%0.09722%0.22CC..THydrogen-bonded Turntrans-70-53.5-168.11800000111.3Y43 V76 L78 F90 N95 L173Y43-V92 HydrophobicContact CD1-CB 4.49Å; Y43-V92 HydrophobicContact CD1-CG1 4.37Å; Y43-V92 HydrophobicContact CD1-CG2 3.51Å; Y43-V92 HydrophobicContact CE1-CB 4.26Å; Y43-V92 HydrophobicContact CE1-CG1 3.75Å; Y43-V92 HydrophobicContact CE1-CG2 3.48Å; Y43-V92 VanDerWaalsContact CE1-CG2 3.48Å; V76-V92 HydrophobicContact CG1-CB 4.39Å; V76-V92 HydrophobicContact CG1-CG2 4.09Å; V76-V92 WeakPolarHBondContact O-CG2 3.37Å; V76-V92 PolarHBondContact O-N 3.31Å; L78-V92 HydrophobicContact CB-CG2 3.89Å; F90-V92 PolarHBondContact O-N 3.16Å; V92-N95 PolarHBondContact O-N 2.97Å; V92-L173 HydrophobicContact CG1-CB 4.01Å; V92-L173 HydrophobicContact CG1-CD1 4.3Å
93K92.2Very high94.6Very high33 Ų3349.4 Ų49.414%0.14323%0.232CC..THydrogen-bonded Turntrans-70.3-37.4-177.1-174.7171172.3172.60112.6S73 Y74 N95 L173 D202S73-K93 VanDerWaalsContact CB-CD 3.45Å; S73-K93 VanDerWaalsContact O-CB 3.27Å; S73-K93 WeakPolarHBondContact O-CB 3.38Å; S73-K93 VanDerWaalsContact OG-CD 3.26Å; S73-K93 WeakPolarHBondContact OG-CD 3.37Å; S73-K93 PolarHBondContact OG-NZ 2.75Å; Y74-K93 HydrophobicContact CD1-CB 3.91Å; Y74-K93 HydrophobicContact CD1-CD 3.91Å; Y74-K93 HydrophobicContact CD1-CG 3.85Å; Y74-K93 HydrophobicContact CD2-CD 4.43Å; Y74-K93 HydrophobicContact CE1-CB 4.04Å; Y74-K93 HydrophobicContact CE1-CD 3.61Å; Y74-K93 HydrophobicContact CE1-CG 3.48Å; Y74-K93 VanDerWaalsContact CE1-CG 3.48Å; Y74-K93 HydrophobicContact CE2-CD 4.21Å; Y74-K93 HydrophobicContact CG-CD 4.3Å; Y74-K93 VanDerWaalsContact CZ-CE 3.4Å; Y74-K93 WeakPolarHBondContact OH-CE 3.29Å; K93-N95 VanDerWaalsContact C-N 3.29Å; K93-L173 HydrophobicContact CB-CD2 4.35Å; K93-D202 VanDerWaalsContact NZ-CG 3.26Å; K93-D202 IonicContact NZ-OD2 2.59Å; K93-D202 PolarHBondContact NZ-OD2 3.26Å
94S94.3Very high94.8Very high13 Ų1347.2 Ų47.29%0.09122%0.221CC..THydrogen-bonded Turntrans-76.7-14.9176.348.60000113.6I59 R96I59-S94 WeakPolarHBondContact CG2-OG 3.46Å; I59-S94 WeakPolarHBondContact O-CB 3.21Å; I59-S94 PolarHBondContact O-OG 2.86Å; S94-R96 VanDerWaalsContact C-N 3.28Å; S94-R96 WeakPolarHBondContact O-CG 3.46Å; S94-R96 PolarHBondContact O-N 2.79Å
95N93.1Very high95.2Very high104 Ų10439 Ų3956%0.55619%0.193SC*.THydrogen-bonded Turntrans54.143.9-176.3-172.354.3000112.3F90 G91 V92 K93F90-N95 HydrophobicContact CZ-CB 4.43Å; F90-N95 VanDerWaalsContact CZ-OD1 3.31Å; F90-N95 WeakPolarHBondContact CZ-OD1 3.31Å; G91-N95 WeakPolarHBondContact O-CA 3.46Å; G91-N95 PolarHBondContact O-N 2.96Å; V92-N95 PolarHBondContact O-N 2.97Å; K93-N95 VanDerWaalsContact C-N 3.29Å
96R96.4Very high95.4Very high70 Ų7035 Ų3526%0.26418%0.179SC..EExtended strand (participates in β ladder)trans-132.2140.9-176.5-72.3176.5-176.8-79.61.1111.4I59 P61 G91 S94 S109I59-R96 HydrophobicContact CG2-CB 4.1Å; P61-R96 PolarHBondContact O-NE 2.79Å; P61-R96 PolarHBondContact O-NH2 2.83Å; G91-R96 PolarHBondContact N-O 3.05Å; G91-R96 PolarHBondContact O-N 2.88Å; S94-R96 VanDerWaalsContact C-N 3.28Å; S94-R96 WeakPolarHBondContact O-CG 3.46Å; S94-R96 PolarHBondContact O-N 2.79Å; R96-S109 CarbonylContact C-O 3.56Å; R96-S109 WeakPolarHBondContact CA-O 3.23Å
97Y97.9Very high95.5Very high39 Ų3933.9 Ų33.915%0.15318%0.176CC..EExtended strand (participates in β ladder)trans-81.9139.3167.3-64.7-86.4000109.7K80 A88 I89 F90 T108 S109 C112K80-Y97 HydrophobicContact CD-CE1 4.08Å; K80-Y97 PolarHBondContact NZ-OH 3.43Å; A88-Y97 HydrophobicContact CB-CD1 3.97Å; A88-Y97 HydrophobicContact CB-CE1 4.13Å; I89-Y97 WeakPolarHBondContact O-CA 3.17Å; F90-Y97 HydrophobicContact CB-CD1 4.14Å; F90-Y97 HydrophobicContact CB-CE1 4.12Å; F90-Y97 AromaticContact CD2-CD1 3.74Å; F90-Y97 HydrophobicContact CD2-CD1 3.74Å; F90-Y97 AromaticContact CD2-CD2 3.94Å; F90-Y97 HydrophobicContact CD2-CD2 3.94Å; F90-Y97 AromaticContact CD2-CE1 3.6Å; F90-Y97 HydrophobicContact CD2-CE1 3.6Å; F90-Y97 AromaticContact CD2-CE2 3.8Å; F90-Y97 HydrophobicContact CD2-CE2 3.8Å; F90-Y97 AromaticContact CD2-CG 3.91Å; F90-Y97 HydrophobicContact CD2-CG 3.91Å; F90-Y97 AromaticContact CD2-CZ 3.62Å; F90-Y97 HydrophobicContact CE2-CD2 4.21Å; F90-Y97 HydrophobicContact CE2-CE1 4.41Å; F90-Y97 AromaticContact CE2-CE2 3.86Å; F90-Y97 HydrophobicContact CE2-CE2 3.86Å; F90-Y97 AromaticContact CE2-CZ 3.97Å; F90-Y97 HydrophobicContact CG-CD1 4.41Å; F90-Y97 HydrophobicContact CG-CE1 4.18Å; Y97-T108 CarbonylContact O-C 3.28Å; Y97-T108 WeakPolarHBondContact O-CA 3.47Å; Y97-T108 WeakPolarHBondContact O-CB 3.41Å; Y97-S109 PolarHBondContact N-O 2.77Å; Y97-S109 PolarHBondContact O-N 2.91Å; Y97-C112 HydrophobicContact CD1-CB 3.94Å; Y97-C112 HydrophobicContact CD2-CB 3.93Å; Y97-C112 HydrophobicContact CE1-CB 3.8Å; Y97-C112 HydrophobicContact CE2-CB 3.8Å; Y97-C112 HydrophobicContact CG-CB 4Å
98L98.3Very high95.7Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-73.7135.1161.3178.668.2000108.2L57 I59 V65 I89 F119 F140L57-L98 HydrophobicContact CD2-CD2 4.34Å; I59-L98 HydrophobicContact CD1-CB 4.09Å; V65-L98 HydrophobicContact CG1-CD1 4.13Å; V65-L98 HydrophobicContact CG2-CD1 3.69Å; I89-L98 HydrophobicContact CB-CB 4.03Å; I89-L98 HydrophobicContact CB-CD2 4.19Å; I89-L98 HydrophobicContact CD1-CD2 3.92Å; I89-L98 HydrophobicContact CG2-CB 4.02Å; I89-L98 HydrophobicContact CG2-CD2 4Å; I89-L98 PolarHBondContact O-N 3.14Å; L98-F119 HydrophobicContact CB-CE2 4.47Å; L98-F119 HydrophobicContact CD2-CE2 4.3Å; L98-F119 HydrophobicContact CD2-CZ 4.22Å; L98-F119 HydrophobicContact CG-CE2 4.18Å; L98-F119 HydrophobicContact CG-CZ 4.05Å; L98-F119 WeakPolarHBondContact O-CE2 3.46Å; L98-F140 HydrophobicContact CD1-CE2 3.8Å; L98-F140 HydrophobicContact CD1-CZ 4.06Å; L98-F140 HydrophobicContact CD2-CD1 3.97Å; L98-F140 HydrophobicContact CD2-CD2 3.93Å; L98-F140 HydrophobicContact CD2-CE1 3.66Å; L98-F140 HydrophobicContact CD2-CE2 3.64Å; L98-F140 HydrophobicContact CD2-CG 4.1Å; L98-F140 HydrophobicContact CD2-CZ 3.49Å; L98-F140 VanDerWaalsContact CD2-CZ 3.49Å; L98-F140 HydrophobicContact CG-CE2 4.23Å; L98-F140 HydrophobicContact CG-CZ 4.41Å
99C97.8Very high95.7Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-137.5163.3179-470000109.7S106 Y107 E116 C117C99-S106 CarbonylContact O-C 3.54Å; C99-S106 VanDerWaalsContact O-CA 3.31Å; C99-S106 WeakPolarHBondContact O-CA 3.16Å; C99-Y107 HydrophobicContact CB-CD1 4.12Å; C99-Y107 HydrophobicContact CB-CD2 4.22Å; C99-Y107 HydrophobicContact CB-CE1 3.62Å; C99-Y107 HydrophobicContact CB-CE2 3.7Å; C99-Y107 HydrophobicContact CB-CG 4.39Å; C99-Y107 PolarHBondContact N-O 3.34Å; C99-Y107 PolarHBondContact O-N 3.32Å; C99-Y107 VanDerWaalsContact O-O 3.08Å; C99-E116 CarbonylContact C-O 3.52Å; C99-E116 VanDerWaalsContact CA-O 3.23Å; C99-E116 WeakPolarHBondContact CA-O 3.44Å; C99-E116 HydrophobicContact CB-CB 4.38Å; C99-C117 HydrophobicContact CB-CB 3.99Å; C99-C117 WeakPolarHBondContact CB-SG 3.35Å; C99-C117 WeakPolarHBondContact SG-CB 3.41Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 3.22Å
100M97.5Very high95.5Very high3 Ų339 Ų392%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-136.4128.4179.1-175.4-178.9-76.600109.4N105 E116 F119 I138 F140M100-N105 WeakPolarHBondContact CA-O 3.41Å; M100-E116 PolarHBondContact N-O 2.8Å; M100-E116 WeakPolarHBondContact O-CB 3.28Å; M100-F119 HydrophobicContact CB-CE1 3.97Å; M100-F119 HydrophobicContact CB-CZ 4.13Å; M100-F119 HydrophobicContact CE-CE1 4.16Å; M100-I138 HydrophobicContact SD-CB 4.09Å; M100-I138 HydrophobicContact SD-CG2 4.13Å; M100-F140 HydrophobicContact CE-CB 4.01Å; M100-F140 HydrophobicContact CE-CD2 4.25Å
101D95.6Very high95.4Very high36 Ų3642.4 Ų42.419%0.19323%0.233CC..  trans-76.1177.6176.469.617.9000112E103 G104 N105 Y107D101-E103 PolarHBondContact O-N 3.35Å; D101-E103 WeakPolarHBondContact OD1-CA 3.31Å; D101-E103 WeakPolarHBondContact OD1-CB 3.49Å; D101-E103 PolarHBondContact OD1-N 3.42Å; D101-G104 PolarHBondContact O-N 2.91Å; D101-G104 VanDerWaalsContact O-N 3.12Å; D101-G104 PolarHBondContact OD1-N 3.05Å; D101-N105 PolarHBondContact N-O 2.9Å; D101-N105 PolarHBondContact OD1-N 2.81Å; D101-N105 PolarHBondContact OD1-ND2 3Å; D101-N105 VanDerWaalsContact OD2-CB 3.28Å; D101-N105 WeakPolarHBondContact OD2-CB 3.39Å; D101-N105 PolarHBondContact OD2-ND2 3.18Å; D101-Y107 HydrophobicContact CB-CD1 4.43Å; D101-Y107 HydrophobicContact CB-CE1 4.27Å
102S95.1Very high95.3Very high73 Ų7344.8 Ų44.851%0.5125%0.249SC..THydrogen-bonded Turntrans-64.6-19.317951.10000114.3N136S102-N136 PolarHBondContact O-ND2 3.3Å
103E94.6Very high95.3Very high126 Ų12648 Ų4859%0.58927%0.265SS*.THydrogen-bonded Turntrans-89.5-7.8178.4-62.2173.2-174.100112D101 N105 R146D101-E103 PolarHBondContact O-N 3.35Å; D101-E103 WeakPolarHBondContact OD1-CA 3.31Å; D101-E103 WeakPolarHBondContact OD1-CB 3.49Å; D101-E103 PolarHBondContact OD1-N 3.42Å; E103-N105 PolarHBondContact OE2-ND2 2.88Å; E103-N105 VanDerWaalsContact OE2-ND2 3.14Å; E103-R146 VanDerWaalsContact O-CD 3.22Å; E103-R146 WeakPolarHBondContact O-CD 3.4Å
104G94.3Very high95.2Very high10 Ų1054.7 Ų54.710%0.10329%0.29CS..  trans88.711.3-178.100000114D101D101-G104 PolarHBondContact O-N 2.91Å; D101-G104 VanDerWaalsContact O-N 3.12Å; D101-G104 PolarHBondContact OD1-N 3.05Å
105N95.1Very high95Very high46 Ų4660.3 Ų60.325%0.24632%0.315CS..  trans-78.6128.1174.6-48.8-57.4000109.5M100 D101 E103 R146M100-N105 WeakPolarHBondContact CA-O 3.41Å; D101-N105 PolarHBondContact N-O 2.9Å; D101-N105 PolarHBondContact OD1-N 2.81Å; D101-N105 PolarHBondContact OD1-ND2 3Å; D101-N105 VanDerWaalsContact OD2-CB 3.28Å; D101-N105 WeakPolarHBondContact OD2-CB 3.39Å; D101-N105 PolarHBondContact OD2-ND2 3.18Å; E103-N105 PolarHBondContact OE2-ND2 2.88Å; E103-N105 VanDerWaalsContact OE2-ND2 3.14Å; N105-R146 PolarHBondContact OD1-NE 2.79Å; N105-R146 PolarHBondContact OD1-NH2 2.83Å
106S94.9Very high95.1Very high46 Ų4657.7 Ų57.732%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-77.9132172.862.70000110.8C99C99-S106 CarbonylContact O-C 3.54Å; C99-S106 VanDerWaalsContact O-CA 3.31Å; C99-S106 WeakPolarHBondContact O-CA 3.16Å
107Y96.1Very high95.2Very high68 Ų6854.3 Ų54.327%0.26729%0.286SS..EExtended strand (participates in β ladder)trans-137.4-176.517274.1-85.9000109.4C99 D101 E116C99-Y107 HydrophobicContact CB-CD1 4.12Å; C99-Y107 HydrophobicContact CB-CD2 4.22Å; C99-Y107 HydrophobicContact CB-CE1 3.62Å; C99-Y107 HydrophobicContact CB-CE2 3.7Å; C99-Y107 HydrophobicContact CB-CG 4.39Å; C99-Y107 PolarHBondContact N-O 3.34Å; C99-Y107 PolarHBondContact O-N 3.32Å; C99-Y107 VanDerWaalsContact O-O 3.08Å; D101-Y107 HydrophobicContact CB-CD1 4.43Å; D101-Y107 HydrophobicContact CB-CE1 4.27Å; Y107-E116 WeakPolarHBondContact CE1-OE2 3.38Å; Y107-E116 VanDerWaalsContact CZ-OE2 3.3Å; Y107-E116 PolarHBondContact OH-OE2 2.92Å
108T97.8Very high95.1Very high21 Ų2153 Ų5313%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-130.7149.1178.664.50000112.5I59 G63 V65 Y97I59-T108 HydrophobicContact CG2-CG2 3.78Å; G63-T108 WeakPolarHBondContact CA-OG1 3.42Å; G63-T108 VanDerWaalsContact O-CG2 3.25Å; G63-T108 WeakPolarHBondContact O-CG2 3.46Å; G63-T108 PolarHBondContact O-OG1 2.81Å; V65-T108 HydrophobicContact CG2-CG2 3.49Å; V65-T108 VanDerWaalsContact CG2-CG2 3.49Å; Y97-T108 CarbonylContact O-C 3.28Å; Y97-T108 WeakPolarHBondContact O-CA 3.47Å; Y97-T108 WeakPolarHBondContact O-CB 3.41Å
109S96.6Very high95.1Very high22 Ų2253 Ų5315%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-136.2145.1178.8179.20000111.1R96 Y97 V111R96-S109 CarbonylContact C-O 3.56Å; R96-S109 WeakPolarHBondContact CA-O 3.23Å; Y97-S109 PolarHBondContact N-O 2.77Å; Y97-S109 PolarHBondContact O-N 2.91Å; S109-V111 VanDerWaalsContact CB-O 3.29Å; S109-V111 WeakPolarHBondContact CB-O 3.31Å; S109-V111 PolarHBondContact O-N 2.87Å; S109-V111 PolarHBondContact OG-N 3.45Å; S109-V111 VanDerWaalsContact OG-N 3.15Å; S109-V111 PolarHBondContact OG-O 3Å
110S93.6Very high95.1Very high76 Ų7654.4 Ų54.453%0.53129%0.289SS..SBendtrans-73-18.6171.6540000112.6
111V93.4Very high94.9Very high89 Ų8955.1 Ų55.154%0.53929%0.292SS..SBendtrans-116.6136.8179.1-178.80000109.4S109 L113S109-V111 VanDerWaalsContact CB-O 3.29Å; S109-V111 WeakPolarHBondContact CB-O 3.31Å; S109-V111 PolarHBondContact O-N 2.87Å; S109-V111 PolarHBondContact OG-N 3.45Å; S109-V111 VanDerWaalsContact OG-N 3.15Å; S109-V111 PolarHBondContact OG-O 3Å; V111-L113 PolarHBondContact O-N 3.17Å
112C94.2Very high94.9Very high49 Ų4957.5 Ų57.533%0.33130%0.301SS..  trans-75.8105.3176.5-170.80000110Y97Y97-C112 HydrophobicContact CD1-CB 3.94Å; Y97-C112 HydrophobicContact CD2-CB 3.93Å; Y97-C112 HydrophobicContact CE1-CB 3.8Å; Y97-C112 HydrophobicContact CE2-CB 3.8Å; Y97-C112 HydrophobicContact CG-CB 4Å
113L92.3Very high94.8Very high83 Ų8358.6 Ų58.644%0.43530%0.301SS..  trans-85.1109.6170-58.1177.4000107.9V111 E115 E116 C117V111-L113 PolarHBondContact O-N 3.17Å; L113-E115 PolarHBondContact O-N 2.92Å; L113-E116 PolarHBondContact O-N 2.85Å; L113-C117 PolarHBondContact N-SG 3.13Å; L113-C117 WeakPolarHBondContact O-CB 3.35Å; L113-C117 PolarHBondContact O-N 2.94Å
114R90Very high94.8Very high174 Ų17454.1 Ų54.166%0.65728%0.281SS*.Hα-helixtrans-51.5-38.1-169.5-175.6177.6-98.7155.40.1113.7E82 L118E82-R114 IonicContact OE1-CZ 3.38Å; E82-R114 IonicContact OE1-NE 2.86Å; E82-R114 PolarHBondContact OE1-NE 3.4Å; E82-R114 IonicContact OE1-NH2 3.13Å; E82-R114 PolarHBondContact OE1-NH2 2.99Å; E82-R114 VanDerWaalsContact OE1-NH2 3.13Å; R114-L118 HydrophobicContact CG-CD1 3.55Å; R114-L118 HydrophobicContact CG-CG 4.31Å; R114-L118 VanDerWaalsContact O-CB 3.31Å; R114-L118 WeakPolarHBondContact O-CB 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å
115E90.6Very high94.7Very high131 Ų13163 Ų6361%0.61232%0.32SS*.Hα-helixtrans-77.2-22.1-175.7-63.5-174.5-175.600114.1L113 R135L113-E115 PolarHBondContact O-N 2.92Å; E115-R135 WeakPolarHBondContact O-CD 3.5Å; E115-R135 WeakPolarHBondContact O-CG 3.48Å
116E95.4Very high94.5Very high49 Ų4964.6 Ų64.623%0.22933%0.328CS..Hα-helixtrans-118.3-27.3-171.9-60-165.2170.200112.5C99 M100 Y107 L113 R135C99-E116 CarbonylContact C-O 3.52Å; C99-E116 VanDerWaalsContact CA-O 3.23Å; C99-E116 WeakPolarHBondContact CA-O 3.44Å; C99-E116 HydrophobicContact CB-CB 4.38Å; M100-E116 PolarHBondContact N-O 2.8Å; M100-E116 WeakPolarHBondContact O-CB 3.28Å; Y107-E116 WeakPolarHBondContact CE1-OE2 3.38Å; Y107-E116 VanDerWaalsContact CZ-OE2 3.3Å; Y107-E116 PolarHBondContact OH-OE2 2.92Å; L113-E116 PolarHBondContact O-N 2.85Å; E116-R135 IonicContact OE1-NH1 3.34Å; E116-R135 PolarHBondContact OE1-NH1 3.36Å
117C97.3Very high94.4Very high0 Ų067.8 Ų67.80%034%0.342CS..Hα-helixtrans-101.4-3.9-176.6-48.90000113.5C99 L113C99-C117 HydrophobicContact CB-CB 3.99Å; C99-C117 WeakPolarHBondContact CB-SG 3.35Å; C99-C117 WeakPolarHBondContact SG-CB 3.41Å; C99-C117 CovalentContact SG-SG 2.04Å; C99-C117 PolarHBondContact SG-SG 3.22Å; L113-C117 PolarHBondContact N-SG 3.13Å; L113-C117 WeakPolarHBondContact O-CB 3.35Å; L113-C117 PolarHBondContact O-N 2.94Å
118L96.9Very high94.3Very high10 Ų1068.1 Ų68.15%0.05234%0.343CS..EExtended strand (participates in β ladder)trans-95.7134169.5-66-173.5000111.3E82 A88 R114 T134E82-L118 HydrophobicContact CB-CD1 4.46Å; E82-L118 HydrophobicContact CB-CD2 4.49Å; E82-L118 VanDerWaalsContact CD-CD1 3.4Å; E82-L118 HydrophobicContact CG-CD1 4.48Å; E82-L118 WeakPolarHBondContact OE1-CD1 3.41Å; E82-L118 WeakPolarHBondContact OE2-CD1 3.22Å; A88-L118 HydrophobicContact CB-CD2 3.86Å; R114-L118 HydrophobicContact CG-CD1 3.55Å; R114-L118 HydrophobicContact CG-CG 4.31Å; R114-L118 VanDerWaalsContact O-CB 3.31Å; R114-L118 WeakPolarHBondContact O-CB 3.44Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å; L118-T134 HydrophobicContact CB-CG2 4.27Å; L118-T134 WeakPolarHBondContact O-CG2 3.43Å; L118-T134 PolarHBondContact O-OG1 3.39Å
119F97.9Very high94.2Very high0 Ų067.5 Ų67.50%034%0.338CS..EExtended strand (participates in β ladder)trans-115.1142.2176-62.2-90000109.5R86 L87 I89 L98 M100 Y132 F140R86-F119 VanDerWaalsContact CA-O 3.25Å; R86-F119 WeakPolarHBondContact CA-O 3.38Å; L87-F119 PolarHBondContact N-O 2.95Å; L87-F119 PolarHBondContact O-N 3.39Å; I89-F119 HydrophobicContact CD1-CD2 4.12Å; I89-F119 HydrophobicContact CD1-CE2 4.46Å; I89-F119 HydrophobicContact CG1-CD2 4.38Å; L98-F119 HydrophobicContact CB-CE2 4.47Å; L98-F119 HydrophobicContact CD2-CE2 4.3Å; L98-F119 HydrophobicContact CD2-CZ 4.22Å; L98-F119 HydrophobicContact CG-CE2 4.18Å; L98-F119 HydrophobicContact CG-CZ 4.05Å; L98-F119 WeakPolarHBondContact O-CE2 3.46Å; M100-F119 HydrophobicContact CB-CE1 3.97Å; M100-F119 HydrophobicContact CB-CZ 4.13Å; M100-F119 HydrophobicContact CE-CE1 4.16Å; F119-Y132 CarbonylContact C-O 3.55Å; F119-Y132 WeakPolarHBondContact CA-O 3.48Å; F119-F140 HydrophobicContact CD1-CB 4.48Å; F119-F140 HydrophobicContact CE1-CB 4.22Å
120N97.2Very high94.2Very high30 Ų3066.5 Ų66.516%0.1633%0.331CS..EExtended strand (participates in β ladder)trans-69140.7157.8-67-47.1000108.8E85 R86 Y131 Y132E85-N120 CarbonylContact O-C 3.44Å; E85-N120 WeakPolarHBondContact O-CA 3.43Å; R86-N120 WeakPolarHBondContact CG-OD1 3.37Å; N120-Y131 VanDerWaalsContact O-CA 3.31Å; N120-Y131 WeakPolarHBondContact O-CA 3.1Å; N120-Y132 HydrophobicContact CB-CD1 4.05Å; N120-Y132 HydrophobicContact CB-CD2 3.7Å; N120-Y132 HydrophobicContact CB-CE1 3.67Å; N120-Y132 HydrophobicContact CB-CE2 3.31Å; N120-Y132 HydrophobicContact CB-CG 4.06Å; N120-Y132 PolarHBondContact N-O 3.01Å; N120-Y132 WeakPolarHBondContact ND2-CE2 3.27Å; N120-Y132 PolarHBondContact O-N 3Å
121H94.4Very high94.4Very high18 Ų1862.9 Ų62.98%0.08331%0.306CS..EExtended strand (participates in β ladder)trans-119.2138.1178.1162-102.6000109.7W37 E85 L87 D129 I130 Y131W37-H121 AromaticContact CH2-CE1 3.17Å; W37-H121 WeakPolarHBondContact CH2-CE1 3.42Å; W37-H121 AromaticContact CH2-ND1 3.75Å; W37-H121 AromaticContact CH2-NE2 3.73Å; W37-H121 AromaticContact CZ2-CE1 3.46Å; W37-H121 VanDerWaalsContact CZ2-CE1 3.46Å; W37-H121 WeakPolarHBondContact CZ2-CE1 3.28Å; E85-H121 PolarHBondContact O-N 3.3Å; L87-H121 HydrophobicContact CD2-CB 3.91Å; L87-H121 HydrophobicContact CG-CB 4.23Å; H121-D129 IonicContact CD2-OD1 3.47Å; H121-D129 IonicContact CE1-OD1 3.35Å; H121-D129 IonicContact NE2-OD1 3.79Å; H121-D129 PolarHBondContact NE2-OD1 3.34Å; H121-D129 IonicContact NE2-OD2 3.51Å; H121-I130 WeakPolarHBondContact CA-O 3.4Å; H121-Y131 HydrophobicContact CB-CD1 4.04Å; H121-Y131 HydrophobicContact CB-CE1 4.03Å; H121-Y131 AromaticContact CD2-CE1 3.46Å; H121-Y131 VanDerWaalsContact CD2-CE1 3.46Å; H121-Y131 WeakPolarHBondContact CD2-CE1 3.46Å
122K94.8Very high94.6Very high86 Ų8660.5 Ų60.537%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-144.9132.6172.9-173.2171.5178.8178.20110.6L124 D129 I130 Y132 Y149K122-L124 HydrophobicContact CD-CD2 4.38Å; K122-L124 HydrophobicContact CG-CD2 4.38Å; K122-D129 WeakPolarHBondContact O-CA 3.27Å; K122-I130 HydrophobicContact CB-CD1 4.27Å; K122-I130 HydrophobicContact CB-CG1 3.93Å; K122-I130 PolarHBondContact N-O 2.87Å; K122-I130 VanDerWaalsContact N-O 3.15Å; K122-I130 WeakPolarHBondContact O-CG1 3.38Å; K122-I130 PolarHBondContact O-N 3.35Å; K122-Y132 HydrophobicContact CB-CE1 4.4Å; K122-Y149 HydrophobicContact CD-CE1 4.23Å; K122-Y149 WeakPolarHBondContact CD-OH 3.36Å; K122-Y149 WeakPolarHBondContact CE-OH 3.47Å; K122-Y149 PolarHBondContact NZ-OH 3.23Å
123L94.1Very high94.8Very high97 Ų9758.3 Ų58.351%0.50827%0.273SS..EExtended strand (participates in β ladder)trans-82.5122.1166.9-178.964.7000108.6D129L123-D129 WeakPolarHBondContact CD1-OD1 3.36Å
124L94.3Very high94.9Very high32 Ų3256.4 Ų56.417%0.16827%0.265CS..  trans-87.7166.2176.2-61.8-175.6000111.5K122 N126 N127 R128 I130 Y149 V155 L160K122-L124 HydrophobicContact CD-CD2 4.38Å; K122-L124 HydrophobicContact CG-CD2 4.38Å; L124-N126 VanDerWaalsContact CB-OD1 3.28Å; L124-N126 WeakPolarHBondContact CB-OD1 3.01Å; L124-N126 PolarHBondContact O-N 3.27Å; L124-N127 PolarHBondContact O-N 3.16Å; L124-R128 PolarHBondContact N-O 3.26Å; L124-I130 HydrophobicContact CD1-CD1 4.44Å; L124-I130 HydrophobicContact CD1-CG1 4.47Å; L124-I130 HydrophobicContact CD1-CG2 3.59Å; L124-I130 HydrophobicContact CD2-CD1 4Å; L124-I130 HydrophobicContact CD2-CG1 4.28Å; L124-I130 HydrophobicContact CG-CD1 4.38Å; L124-I130 HydrophobicContact CG-CG1 4.24Å; L124-I130 HydrophobicContact CG-CG2 4.13Å; L124-Y149 HydrophobicContact CD2-CE2 4.47Å; L124-V155 HydrophobicContact CD1-CG2 3.91Å; L124-L160 HydrophobicContact CD1-CD2 3.7Å
125E92.8Very high95.2Very high197 Ų19754.1 Ų54.192%0.92126%0.256SS*.THydrogen-bonded Turntrans-60.3-25.7-178.7-64.1175.4-172.900113.5N127E125-N127 PolarHBondContact O-N 3.27Å
126N90.3Very high95.4Very high78 Ų7850 Ų5042%0.41724%0.238SC..THydrogen-bonded Turntrans-79.413.4175.166.5-5.5000113.7L124 R128 L160L124-N126 VanDerWaalsContact CB-OD1 3.28Å; L124-N126 WeakPolarHBondContact CB-OD1 3.01Å; L124-N126 PolarHBondContact O-N 3.27Å; N126-R128 PolarHBondContact O-N 3.32Å; N126-R128 WeakPolarHBondContact OD1-CB 3.48Å; N126-R128 PolarHBondContact OD1-N 2.84Å; N126-L160 WeakPolarHBondContact ND2-CD1 3.25Å
127N92.3Very high95.4Very high114 Ų11449.7 Ų49.761%0.6124%0.242SC*.SBendtrans55.139.4-177.3-59.5-40.7000112.8L124 E125L124-N127 PolarHBondContact O-N 3.16Å; E125-N127 PolarHBondContact O-N 3.27Å
128R94.8Very high95.4Very high75 Ų7550.5 Ų50.528%0.28325%0.246SC..  trans-122.9142.6171.8-64.6-71.4-172.7-85.1-2.3109.6L124 N126 L160 F161L124-R128 PolarHBondContact N-O 3.26Å; N126-R128 PolarHBondContact O-N 3.32Å; N126-R128 WeakPolarHBondContact OD1-CB 3.48Å; N126-R128 PolarHBondContact OD1-N 2.84Å; R128-L160 HydrophobicContact CB-CB 3.99Å; R128-L160 HydrophobicContact CB-CD2 3.89Å; R128-L160 HydrophobicContact CB-CG 4.43Å; R128-L160 HydrophobicContact CG-CB 4.16Å; R128-F161 CarbonylContact C-O 3.44Å; R128-F161 WeakPolarHBondContact CA-O 2.98Å
129D95.6Very high95.5Very high8 Ų850.1 Ų50.14%0.04324%0.244CC..EExtended strand (participates in β ladder)trans-85.2140.6174.3-69.3-36.3000110.3H121 K122 L123 Y131 F161 P163H121-D129 IonicContact CD2-OD1 3.47Å; H121-D129 IonicContact CE1-OD1 3.35Å; H121-D129 IonicContact NE2-OD1 3.79Å; H121-D129 PolarHBondContact NE2-OD1 3.34Å; H121-D129 IonicContact NE2-OD2 3.51Å; K122-D129 WeakPolarHBondContact O-CA 3.27Å; L123-D129 WeakPolarHBondContact CD1-OD1 3.36Å; D129-Y131 HydrophobicContact CB-CE2 4.27Å; D129-F161 PolarHBondContact N-O 2.69Å; D129-F161 PolarHBondContact O-N 2.91Å; D129-P163 VanDerWaalsContact OD2-CD 3.27Å; D129-P163 WeakPolarHBondContact OD2-CD 3.14Å; D129-P163 WeakPolarHBondContact OD2-CG 3.46Å
130I97.1Very high95.4Very high0 Ų050.2 Ų50.20%024%0.244CC..EExtended strand (participates in β ladder)trans-113.6150.4163.557.7166.3000109.7H121 K122 L124 Y132 L139 Y149 V155 L160H121-I130 WeakPolarHBondContact CA-O 3.4Å; K122-I130 HydrophobicContact CB-CD1 4.27Å; K122-I130 HydrophobicContact CB-CG1 3.93Å; K122-I130 PolarHBondContact N-O 2.87Å; K122-I130 VanDerWaalsContact N-O 3.15Å; K122-I130 WeakPolarHBondContact O-CG1 3.38Å; K122-I130 PolarHBondContact O-N 3.35Å; L124-I130 HydrophobicContact CD1-CD1 4.44Å; L124-I130 HydrophobicContact CD1-CG1 4.47Å; L124-I130 HydrophobicContact CD1-CG2 3.59Å; L124-I130 HydrophobicContact CD2-CD1 4Å; L124-I130 HydrophobicContact CD2-CG1 4.28Å; L124-I130 HydrophobicContact CG-CD1 4.38Å; L124-I130 HydrophobicContact CG-CG1 4.24Å; L124-I130 HydrophobicContact CG-CG2 4.13Å; I130-Y132 HydrophobicContact CD1-CD1 4.08Å; I130-Y132 HydrophobicContact CD1-CE1 4.19Å; I130-Y132 HydrophobicContact CG1-CD1 4.39Å; I130-L139 HydrophobicContact CB-CD2 4.01Å; I130-L139 HydrophobicContact CD1-CD2 4.08Å; I130-L139 HydrophobicContact CG2-CD2 4.33Å; I130-Y149 HydrophobicContact CD1-CD1 4.23Å; I130-Y149 HydrophobicContact CD1-CD2 3.44Å; I130-Y149 VanDerWaalsContact CD1-CD2 3.44Å; I130-Y149 HydrophobicContact CD1-CE1 4.12Å; I130-Y149 HydrophobicContact CD1-CE2 3.32Å; I130-Y149 HydrophobicContact CD1-CG 3.92Å; I130-V155 HydrophobicContact CG2-CG2 4.4Å; I130-L160 HydrophobicContact CG2-CD2 3.78Å
131Y97.8Very high95.3Very high0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-124.6132.1172.2-55-74.4000108.3L46 L87 I89 N120 H121 D129 F140 F161L46-Y131 HydrophobicContact CD1-CE2 3.95Å; L46-Y131 HydrophobicContact CD2-CE2 4.23Å; L87-Y131 HydrophobicContact CD1-CD1 4.14Å; L87-Y131 HydrophobicContact CD1-CE1 4.02Å; L87-Y131 HydrophobicContact CD2-CE1 4.06Å; L87-Y131 HydrophobicContact CG-CE1 4.42Å; I89-Y131 HydrophobicContact CD1-CD1 4.13Å; I89-Y131 HydrophobicContact CD1-CD2 4.08Å; I89-Y131 HydrophobicContact CD1-CE2 4.48Å; I89-Y131 HydrophobicContact CD1-CG 3.88Å; N120-Y131 VanDerWaalsContact O-CA 3.31Å; N120-Y131 WeakPolarHBondContact O-CA 3.1Å; H121-Y131 HydrophobicContact CB-CD1 4.04Å; H121-Y131 HydrophobicContact CB-CE1 4.03Å; H121-Y131 AromaticContact CD2-CE1 3.46Å; H121-Y131 VanDerWaalsContact CD2-CE1 3.46Å; H121-Y131 WeakPolarHBondContact CD2-CE1 3.46Å; D129-Y131 HydrophobicContact CB-CE2 4.27Å; Y131-F140 PolarHBondContact O-N 2.82Å; Y131-F161 AromaticContact CD2-CD2 3.64Å; Y131-F161 HydrophobicContact CD2-CD2 3.64Å; Y131-F161 HydrophobicContact CD2-CE2 4.13Å; Y131-F161 HydrophobicContact CD2-CG 4.22Å; Y131-F161 HydrophobicContact CE2-CB 3.9Å; Y131-F161 AromaticContact CE2-CD2 3.87Å; Y131-F161 HydrophobicContact CE2-CD2 3.87Å; Y131-F161 AromaticContact CE2-CG 3.99Å; Y131-F161 HydrophobicContact CE2-CG 3.99Å
132Y97.6Very high95.2Very high39 Ų3949.4 Ų49.415%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-141.2151.1179.256-82.7000111.3F119 N120 K122 I130 T134 I138 Y149F119-Y132 CarbonylContact C-O 3.55Å; F119-Y132 WeakPolarHBondContact CA-O 3.48Å; N120-Y132 HydrophobicContact CB-CD1 4.05Å; N120-Y132 HydrophobicContact CB-CD2 3.7Å; N120-Y132 HydrophobicContact CB-CE1 3.67Å; N120-Y132 HydrophobicContact CB-CE2 3.31Å; N120-Y132 HydrophobicContact CB-CG 4.06Å; N120-Y132 PolarHBondContact N-O 3.01Å; N120-Y132 WeakPolarHBondContact ND2-CE2 3.27Å; N120-Y132 PolarHBondContact O-N 3Å; K122-Y132 HydrophobicContact CB-CE1 4.4Å; I130-Y132 HydrophobicContact CD1-CD1 4.08Å; I130-Y132 HydrophobicContact CD1-CE1 4.19Å; I130-Y132 HydrophobicContact CG1-CD1 4.39Å; Y132-T134 PolarHBondContact O-N 3.11Å; Y132-I138 CarbonylContact C-O 3.43Å; Y132-I138 WeakPolarHBondContact CA-O 3.25Å; Y132-I138 WeakPolarHBondContact CB-O 3.43Å; Y132-Y149 HydrophobicContact CD1-CD1 4.2Å; Y132-Y149 HydrophobicContact CD1-CG 4.39Å; Y132-Y149 AromaticContact CE1-CD1 3.9Å; Y132-Y149 HydrophobicContact CE1-CD1 3.9Å; Y132-Y149 HydrophobicContact CE1-CE1 4.25Å; Y132-Y149 HydrophobicContact CE2-CD1 4.24Å; Y132-Y149 AromaticContact CZ-CD1 3.91Å
133S97.1Very high95Very high3 Ų350.5 Ų50.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-55.7138.7-179.6170.30000111.3R135 N136 S137 I138S133-R135 PolarHBondContact O-N 2.8Å; S133-R135 PolarHBondContact OG-N 2.79Å; S133-R135 VanDerWaalsContact OG-N 3.13Å; S133-N136 WeakPolarHBondContact CB-OD1 3.44Å; S133-N136 PolarHBondContact OG-N 3.26Å; S133-N136 PolarHBondContact OG-OD1 3.29Å; S133-S137 WeakPolarHBondContact O-CA 3.11Å; S133-S137 PolarHBondContact O-N 3.04Å; S133-I138 PolarHBondContact N-O 3.38Å
134T95.6Very high94.6Very high44 Ų4448.3 Ų48.327%0.2725%0.248SC..THydrogen-bonded Turntrans-70.7-17.5174.654.40000113R86 L118 Y132R86-T134 HydrophobicContact CG-CG2 4.25Å; L118-T134 HydrophobicContact CB-CG2 4.27Å; L118-T134 WeakPolarHBondContact O-CG2 3.43Å; L118-T134 PolarHBondContact O-OG1 3.39Å; Y132-T134 PolarHBondContact O-N 3.11Å
135R94.8Very high94.4Very high126 Ų12649.2 Ų49.248%0.47526%0.257SS..THydrogen-bonded Turntrans-94.4-49.7-174.3-64.8176.868.6-175.92.3113.6E115 E116 S133E115-R135 WeakPolarHBondContact O-CD 3.5Å; E115-R135 WeakPolarHBondContact O-CG 3.48Å; E116-R135 IonicContact OE1-NH1 3.34Å; E116-R135 PolarHBondContact OE1-NH1 3.36Å; S133-R135 PolarHBondContact O-N 2.8Å; S133-R135 PolarHBondContact OG-N 2.79Å; S133-R135 VanDerWaalsContact OG-N 3.13Å
136N94.6Very high94.4Very high43 Ų4347 Ų4723%0.2324%0.24CC..THydrogen-bonded Turntrans-123.15.6-169.759.716.8000112.9S102 S133 I138S102-N136 PolarHBondContact O-ND2 3.3Å; S133-N136 WeakPolarHBondContact CB-OD1 3.44Å; S133-N136 PolarHBondContact OG-N 3.26Å; S133-N136 PolarHBondContact OG-OD1 3.29Å; N136-I138 HydrophobicContact CB-CD1 4.39Å; N136-I138 HydrophobicContact CB-CG1 4.29Å; N136-I138 WeakPolarHBondContact ND2-CD1 3.28Å; N136-I138 PolarHBondContact O-N 3.15Å; N136-I138 WeakPolarHBondContact OD1-CB 3.11Å; N136-I138 WeakPolarHBondContact OD1-CG1 3.36Å; N136-I138 PolarHBondContact OD1-N 2.78Å; N136-I138 VanDerWaalsContact OD1-N 3.15Å
137S96.4Very high94.7Very high44 Ų4445.5 Ų45.531%0.30823%0.23SC..  trans57.417.2-179.3-58.20000115.2S133 Y149S133-S137 WeakPolarHBondContact O-CA 3.11Å; S133-S137 PolarHBondContact O-N 3.04Å; S137-Y149 PolarHBondContact O-N 3.26Å
138I97.6Very high94.9Very high17 Ų1743.4 Ų43.49%0.08722%0.222CC..BIsolated β-bridgetrans-69.8131.1175-62.6176000109.5M100 Y132 S133 N136 R146 V148M100-I138 HydrophobicContact SD-CB 4.09Å; M100-I138 HydrophobicContact SD-CG2 4.13Å; Y132-I138 CarbonylContact C-O 3.43Å; Y132-I138 WeakPolarHBondContact CA-O 3.25Å; Y132-I138 WeakPolarHBondContact CB-O 3.43Å; S133-I138 PolarHBondContact N-O 3.38Å; N136-I138 HydrophobicContact CB-CD1 4.39Å; N136-I138 HydrophobicContact CB-CG1 4.29Å; N136-I138 WeakPolarHBondContact ND2-CD1 3.28Å; N136-I138 PolarHBondContact O-N 3.15Å; N136-I138 WeakPolarHBondContact OD1-CB 3.11Å; N136-I138 WeakPolarHBondContact OD1-CG1 3.36Å; N136-I138 PolarHBondContact OD1-N 2.78Å; N136-I138 VanDerWaalsContact OD1-N 3.15Å; I138-R146 HydrophobicContact CG2-CB 4.25Å; I138-V148 HydrophobicContact CG1-CG2 4.02Å
139L97.6Very high95Very high2 Ų241.3 Ų41.31%0.0121%0.214CC..BIsolated β-bridgetrans-66.5137.9176.8-72.3162.8000110.9I130 N141 Q147 Y149 V155 A159I130-L139 HydrophobicContact CB-CD2 4.01Å; I130-L139 HydrophobicContact CD1-CD2 4.08Å; I130-L139 HydrophobicContact CG2-CD2 4.33Å; L139-N141 PolarHBondContact O-N 3.47Å; L139-Q147 WeakPolarHBondContact CB-O 3.39Å; L139-Q147 HydrophobicContact CD1-CB 4.22Å; L139-Q147 HydrophobicContact CD1-CG 4.18Å; L139-Q147 PolarHBondContact N-O 3.16Å; L139-Y149 HydrophobicContact CD2-CD2 4.3Å; L139-Y149 HydrophobicContact CD2-CG 4.43Å; L139-V155 HydrophobicContact CD1-CB 4.11Å; L139-V155 HydrophobicContact CD1-CG1 3.8Å; L139-A159 HydrophobicContact CB-CB 4.29Å
140F97.4Very high95Very high1 Ų144.5 Ų44.50%0.00423%0.234CC..PPolyproline II helixtrans-71.5118.5163.7176.8-115.2000109.2L57 V65 L98 M100 F119 Y131 L142 A159 F161L57-F140 HydrophobicContact CD1-CE1 4.14Å; L57-F140 HydrophobicContact CD1-CZ 3.84Å; L57-F140 HydrophobicContact CD2-CE1 4.29Å; V65-F140 HydrophobicContact CG1-CE2 4.43Å; V65-F140 HydrophobicContact CG1-CZ 4.1Å; L98-F140 HydrophobicContact CD1-CE2 3.8Å; L98-F140 HydrophobicContact CD1-CZ 4.06Å; L98-F140 HydrophobicContact CD2-CD1 3.97Å; L98-F140 HydrophobicContact CD2-CD2 3.93Å; L98-F140 HydrophobicContact CD2-CE1 3.66Å; L98-F140 HydrophobicContact CD2-CE2 3.64Å; L98-F140 HydrophobicContact CD2-CG 4.1Å; L98-F140 HydrophobicContact CD2-CZ 3.49Å; L98-F140 VanDerWaalsContact CD2-CZ 3.49Å; L98-F140 HydrophobicContact CG-CE2 4.23Å; L98-F140 HydrophobicContact CG-CZ 4.41Å; M100-F140 HydrophobicContact CE-CB 4.01Å; M100-F140 HydrophobicContact CE-CD2 4.25Å; F119-F140 HydrophobicContact CD1-CB 4.48Å; F119-F140 HydrophobicContact CE1-CB 4.22Å; Y131-F140 PolarHBondContact O-N 2.82Å; F140-L142 HydrophobicContact CE1-CD2 4.47Å; F140-L142 HydrophobicContact CZ-CD2 4.1Å; F140-L142 HydrophobicContact CZ-CG 4.5Å; F140-A159 WeakPolarHBondContact O-CA 3.38Å; F140-A159 WeakPolarHBondContact O-CB 3.29Å; F140-F161 AromaticContact CD1-CE2 3.76Å; F140-F161 HydrophobicContact CD1-CE2 3.76Å; F140-F161 AromaticContact CD1-CZ 3.58Å; F140-F161 HydrophobicContact CD1-CZ 3.58Å; F140-F161 HydrophobicContact CE1-CE1 4.25Å; F140-F161 HydrophobicContact CE1-CE2 4.23Å; F140-F161 AromaticContact CE1-CZ 3.58Å; F140-F161 HydrophobicContact CE1-CZ 3.58Å
141N95.1Very high94.8Very high6 Ų648 Ų483%0.03226%0.262CS..  trans-130.2129.7-179.9-172-28.2000110.5L139 E143 G144 S145 T158 A159L139-N141 PolarHBondContact O-N 3.47Å; N141-E143 PolarHBondContact O-N 2.85Å; N141-E143 PolarHBondContact OD1-N 2.77Å; N141-G144 PolarHBondContact O-N 3.21Å; N141-G144 VanDerWaalsContact O-N 3.11Å; N141-S145 PolarHBondContact ND2-OG 2.96Å; N141-T158 PolarHBondContact ND2-OG1 3.25Å; N141-T158 WeakPolarHBondContact OD1-CB 3.25Å; N141-T158 PolarHBondContact OD1-O 2.85Å; N141-T158 PolarHBondContact OD1-OG1 3Å; N141-A159 HydrophobicContact CB-CB 4.19Å
142L92.3Very high94.5Very high26 Ų2652.2 Ų52.214%0.13631%0.306CS..THydrogen-bonded Turntrans-66.9-16.7177.3-77.6169.9000115T48 L57 V65 R67 F140 T158 F161T48-L142 HydrophobicContact CG2-CD1 3.52Å; L57-L142 HydrophobicContact CD1-CD2 3.68Å; V65-L142 HydrophobicContact CG1-CD2 4.35Å; R67-L142 HydrophobicContact CG-CB 3.92Å; R67-L142 HydrophobicContact CG-CD1 4.22Å; R67-L142 HydrophobicContact CG-CD2 4.41Å; R67-L142 HydrophobicContact CG-CG 4.43Å; F140-L142 HydrophobicContact CE1-CD2 4.47Å; F140-L142 HydrophobicContact CZ-CD2 4.1Å; F140-L142 HydrophobicContact CZ-CG 4.5Å; L142-T158 PolarHBondContact N-O 3.03Å; L142-F161 HydrophobicContact CD1-CE1 3.69Å; L142-F161 HydrophobicContact CD1-CZ 4.17Å; L142-F161 HydrophobicContact CG-CE1 4.14Å; L142-F161 HydrophobicContact CG-CZ 4.15Å
143E89.2Confident94.3Very high108 Ų10855.4 Ų55.451%0.50532%0.322SS..THydrogen-bonded Turntrans-96.7-1174-70.9-177.7153.700113.2R67 N141 S145 T158R67-E143 IonicContact CZ-OE1 3.7Å; R67-E143 IonicContact NH1-OE1 2.76Å; R67-E143 PolarHBondContact NH1-OE1 3.48Å; R67-E143 IonicContact NH2-OE1 3.95Å; N141-E143 PolarHBondContact O-N 2.85Å; N141-E143 PolarHBondContact OD1-N 2.77Å; E143-S145 VanDerWaalsContact C-N 3.32Å; E143-S145 PolarHBondContact O-N 3.26Å; E143-T158 VanDerWaalsContact CD-CG2 3.43Å; E143-T158 HydrophobicContact CG-CG2 3.81Å; E143-T158 WeakPolarHBondContact OE2-CG2 3.48Å; E143-T158 PolarHBondContact OE2-OG1 3.08Å
144G86.1Confident94.1Very high51 Ų5162.3 Ų62.353%0.52636%0.359SS..  trans76.612.7175.100000114.9N141N141-G144 PolarHBondContact O-N 3.21Å; N141-G144 VanDerWaalsContact O-N 3.11Å
145S89.5Confident94Very high52 Ų5261.3 Ų61.336%0.36435%0.353SS..  trans-70.8131.5170.478.90000110.6N141 E143 Q147N141-S145 PolarHBondContact ND2-OG 2.96Å; E143-S145 VanDerWaalsContact C-N 3.32Å; E143-S145 PolarHBondContact O-N 3.26Å; S145-Q147 PolarHBondContact O-N 3.28Å
146R94.1Very high93.9Very high149 Ų14956.7 Ų56.756%0.56234%0.339SS*.  trans-98.261.7-172.4-61.9166.1-175.1140.81.7110.9E103 N105 I138E103-R146 VanDerWaalsContact O-CD 3.22Å; E103-R146 WeakPolarHBondContact O-CD 3.4Å; N105-R146 PolarHBondContact OD1-NE 2.79Å; N105-R146 PolarHBondContact OD1-NH2 2.83Å; I138-R146 HydrophobicContact CG2-CB 4.25Å
147Q95.7Very high93.9Very high47 Ų4759.5 Ų59.522%0.2235%0.351CS..PPolyproline II helixtrans-84.9129.8178.4-179173.8-4.900110.9L139 S145 N154L139-Q147 WeakPolarHBondContact CB-O 3.39Å; L139-Q147 HydrophobicContact CD1-CB 4.22Å; L139-Q147 HydrophobicContact CD1-CG 4.18Å; L139-Q147 PolarHBondContact N-O 3.16Å; S145-Q147 PolarHBondContact O-N 3.28Å; Q147-N154 PolarHBondContact NE2-O 3.3Å
148V97.1Very high93.7Very high71 Ų7157.6 Ų57.643%0.4334%0.337SS..BIsolated β-bridgetrans-74.9132.4170.2179.20000109.6I138 V150I138-V148 HydrophobicContact CG1-CG2 4.02Å; V148-V150 PolarHBondContact O-N 3.22Å
149Y96.6Very high93.7Very high31 Ų3156.8 Ų56.812%0.12233%0.333CS..PPolyproline II helixtrans-71125.4175.7177.1-116000111.2K122 L124 I130 Y132 S137 L139 V155K122-Y149 HydrophobicContact CD-CE1 4.23Å; K122-Y149 WeakPolarHBondContact CD-OH 3.36Å; K122-Y149 WeakPolarHBondContact CE-OH 3.47Å; K122-Y149 PolarHBondContact NZ-OH 3.23Å; L124-Y149 HydrophobicContact CD2-CE2 4.47Å; I130-Y149 HydrophobicContact CD1-CD1 4.23Å; I130-Y149 HydrophobicContact CD1-CD2 3.44Å; I130-Y149 VanDerWaalsContact CD1-CD2 3.44Å; I130-Y149 HydrophobicContact CD1-CE1 4.12Å; I130-Y149 HydrophobicContact CD1-CE2 3.32Å; I130-Y149 HydrophobicContact CD1-CG 3.92Å; Y132-Y149 HydrophobicContact CD1-CD1 4.2Å; Y132-Y149 HydrophobicContact CD1-CG 4.39Å; Y132-Y149 AromaticContact CE1-CD1 3.9Å; Y132-Y149 HydrophobicContact CE1-CD1 3.9Å; Y132-Y149 HydrophobicContact CE1-CE1 4.25Å; Y132-Y149 HydrophobicContact CE2-CD1 4.24Å; Y132-Y149 AromaticContact CZ-CD1 3.91Å; S137-Y149 PolarHBondContact O-N 3.26Å; L139-Y149 HydrophobicContact CD2-CD2 4.3Å; L139-Y149 HydrophobicContact CD2-CG 4.43Å; Y149-V155 HydrophobicContact CD2-CG1 4.2Å; Y149-V155 HydrophobicContact CE2-CG1 4.48Å
150V95.9Very high93.6Very high74 Ų7457 Ų5745%0.44834%0.335SS..  trans-129.6131171.3-176.40000108.1V148 G152 Q153V148-V150 PolarHBondContact O-N 3.22Å; V150-G152 PolarHBondContact O-N 3.41Å; V150-Q153 HydrophobicContact CB-CB 4.17Å; V150-Q153 WeakPolarHBondContact O-CB 3.26Å; V150-Q153 PolarHBondContact O-N 3.04Å; V150-Q153 VanDerWaalsContact O-N 3.13Å
151A93.1Very high93.6Very high73 Ų7357 Ų5760%0.60333%0.334SS*.THydrogen-bonded Turntrans-60.5132.7179.900000111Q153A151-Q153 VanDerWaalsContact C-N 3.28Å; A151-Q153 PolarHBondContact O-N 2.89Å
152G90.3Very high93.6Very high89 Ų8958.6 Ų58.692%0.91834%0.343SS*.THydrogen-bonded Turntrans83.2-7.7-177.500000115.1V150V150-G152 PolarHBondContact O-N 3.41Å
153Q93.8Very high93.7Very high106 Ų10659.5 Ų59.550%0.49535%0.35SS..SBendtrans-86.2145.4173.5-169.11751.900111.3V150 A151V150-Q153 HydrophobicContact CB-CB 4.17Å; V150-Q153 WeakPolarHBondContact O-CB 3.26Å; V150-Q153 PolarHBondContact O-N 3.04Å; V150-Q153 VanDerWaalsContact O-N 3.13Å; A151-Q153 VanDerWaalsContact C-N 3.28Å; A151-Q153 PolarHBondContact O-N 2.89Å
154N92.9Very high93.8Very high148 Ų14857.8 Ų57.879%0.79134%0.341SS*.  trans-63.3135172.3-71.8-41.2000111.2Q147Q147-N154 PolarHBondContact NE2-O 3.3Å
155V93.9Very high94Very high24 Ų2463.9 Ų63.915%0.14535%0.353CS..  trans-106.9152.8176.9-61.90000110.3L124 I130 L139 Y149 L160L124-V155 HydrophobicContact CD1-CG2 3.91Å; I130-V155 HydrophobicContact CG2-CG2 4.4Å; L139-V155 HydrophobicContact CD1-CB 4.11Å; L139-V155 HydrophobicContact CD1-CG1 3.8Å; Y149-V155 HydrophobicContact CD2-CG1 4.2Å; Y149-V155 HydrophobicContact CE2-CG1 4.48Å; V155-L160 HydrophobicContact CG2-CD1 4.25Å; V155-L160 HydrophobicContact CG2-CD2 3.35Å; V155-L160 HydrophobicContact CG2-CG 3.82Å
156P93.8Very high93.9Very high28 Ų2862.5 Ų62.518%0.18234%0.342CS..  trans-67.3144.8179.9-1733.4000110.6T158 A159 L160P156-T158 PolarHBondContact O-N 3.04Å; P156-T158 VanDerWaalsContact O-N 3.16Å; P156-A159 HydrophobicContact CB-CB 4.5Å; P156-A159 PolarHBondContact O-N 3.4Å; P156-L160 PolarHBondContact O-N 2.91Å
157Q93.4Very high93.4Very high103 Ų10358.2 Ų58.248%0.48133%0.332SS..G310 helixtrans-55.6-35.8177.9-66.7-64.5-23.900112.2T48 A159 L160T48-Q157 PolarHBondContact OG1-O 3.03Å; Q157-A159 PolarHBondContact O-N 3.18Å; Q157-L160 WeakPolarHBondContact O-CB 3.33Å; Q157-L160 PolarHBondContact O-N 3.2Å; Q157-L160 VanDerWaalsContact O-N 3.08Å
158T93.6Very high92.7Very high4 Ų456.3 Ų56.33%0.02532%0.323CS..G310 helixtrans-77-1.4179.845.70000115T48 T50 N141 L142 E143 P156T48-T158 WeakPolarHBondContact OG1-CA 3.36Å; T50-T158 HydrophobicContact CG2-CG2 3.93Å; N141-T158 PolarHBondContact ND2-OG1 3.25Å; N141-T158 WeakPolarHBondContact OD1-CB 3.25Å; N141-T158 PolarHBondContact OD1-O 2.85Å; N141-T158 PolarHBondContact OD1-OG1 3Å; L142-T158 PolarHBondContact N-O 3.03Å; E143-T158 VanDerWaalsContact CD-CG2 3.43Å; E143-T158 HydrophobicContact CG-CG2 3.81Å; E143-T158 WeakPolarHBondContact OE2-CG2 3.48Å; E143-T158 PolarHBondContact OE2-OG1 3.08Å; P156-T158 PolarHBondContact O-N 3.04Å; P156-T158 VanDerWaalsContact O-N 3.16Å
159A96.1Very high91.8Very high0 Ų054.9 Ų54.90%032%0.316CS..G310 helixtrans-105.4-3.6167.400000113.1L139 F140 N141 P156 Q157 F161L139-A159 HydrophobicContact CB-CB 4.29Å; F140-A159 WeakPolarHBondContact O-CA 3.38Å; F140-A159 WeakPolarHBondContact O-CB 3.29Å; N141-A159 HydrophobicContact CB-CB 4.19Å; P156-A159 HydrophobicContact CB-CB 4.5Å; P156-A159 PolarHBondContact O-N 3.4Å; Q157-A159 PolarHBondContact O-N 3.18Å; A159-F161 VanDerWaalsContact O-CD2 3.29Å; A159-F161 WeakPolarHBondContact O-CD2 3.37Å; A159-F161 WeakPolarHBondContact O-CE2 3.37Å
160L96.4Very high90.7Very high7 Ų757 Ų574%0.03733%0.329CS..  trans-92.4125175.3-65.7175.6000110T48 L124 N126 R128 I130 V155 P156 Q157T48-L160 WeakPolarHBondContact CB-O 3.29Å; T48-L160 PolarHBondContact OG1-O 3.43Å; L124-L160 HydrophobicContact CD1-CD2 3.7Å; N126-L160 WeakPolarHBondContact ND2-CD1 3.25Å; R128-L160 HydrophobicContact CB-CB 3.99Å; R128-L160 HydrophobicContact CB-CD2 3.89Å; R128-L160 HydrophobicContact CB-CG 4.43Å; R128-L160 HydrophobicContact CG-CB 4.16Å; I130-L160 HydrophobicContact CG2-CD2 3.78Å; V155-L160 HydrophobicContact CG2-CD1 4.25Å; V155-L160 HydrophobicContact CG2-CD2 3.35Å; V155-L160 HydrophobicContact CG2-CG 3.82Å; P156-L160 PolarHBondContact O-N 2.91Å; Q157-L160 WeakPolarHBondContact O-CB 3.33Å; Q157-L160 PolarHBondContact O-N 3.2Å; Q157-L160 VanDerWaalsContact O-N 3.08Å
161F96.9Very high89.4Confident0 Ų059.9 Ų59.90%034%0.337CS..BIsolated β-bridgetrans-118.1147-177.1-63.5-83.2000112.4L46 Q47 R128 D129 Y131 F140 L142 A159L46-F161 HydrophobicContact CB-CD1 3.89Å; Q47-F161 CarbonylContact O-C 3.53Å; Q47-F161 VanDerWaalsContact O-CA 3.25Å; Q47-F161 WeakPolarHBondContact O-CA 3.43Å; R128-F161 CarbonylContact C-O 3.44Å; R128-F161 WeakPolarHBondContact CA-O 2.98Å; D129-F161 PolarHBondContact N-O 2.69Å; D129-F161 PolarHBondContact O-N 2.91Å; Y131-F161 AromaticContact CD2-CD2 3.64Å; Y131-F161 HydrophobicContact CD2-CD2 3.64Å; Y131-F161 HydrophobicContact CD2-CE2 4.13Å; Y131-F161 HydrophobicContact CD2-CG 4.22Å; Y131-F161 HydrophobicContact CE2-CB 3.9Å; Y131-F161 AromaticContact CE2-CD2 3.87Å; Y131-F161 HydrophobicContact CE2-CD2 3.87Å; Y131-F161 AromaticContact CE2-CG 3.99Å; Y131-F161 HydrophobicContact CE2-CG 3.99Å; F140-F161 AromaticContact CD1-CE2 3.76Å; F140-F161 HydrophobicContact CD1-CE2 3.76Å; F140-F161 AromaticContact CD1-CZ 3.58Å; F140-F161 HydrophobicContact CD1-CZ 3.58Å; F140-F161 HydrophobicContact CE1-CE1 4.25Å; F140-F161 HydrophobicContact CE1-CE2 4.23Å; F140-F161 AromaticContact CE1-CZ 3.58Å; F140-F161 HydrophobicContact CE1-CZ 3.58Å; L142-F161 HydrophobicContact CD1-CE1 3.69Å; L142-F161 HydrophobicContact CD1-CZ 4.17Å; L142-F161 HydrophobicContact CG-CE1 4.14Å; L142-F161 HydrophobicContact CG-CZ 4.15Å; A159-F161 VanDerWaalsContact O-CD2 3.29Å; A159-F161 WeakPolarHBondContact O-CD2 3.37Å; A159-F161 WeakPolarHBondContact O-CE2 3.37Å
162L95.3Very high88.3Confident39 Ų3959.7 Ų59.720%0.20432%0.321CS..EExtended strand (participates in β ladder)trans-124.9112.1171.3179.659000108.5Q47 K164Q47-L162 HydrophobicContact CB-CB 4.38Å; Q47-L162 WeakPolarHBondContact CB-O 3.26Å; Q47-L162 PolarHBondContact N-O 3.27Å; Q47-L162 PolarHBondContact O-N 2.66Å; L162-K164 HydrophobicContact CD2-CD 4.34Å; L162-K164 VanDerWaalsContact CD2-CE 3.41Å; L162-K164 HydrophobicContact CG-CD 4.32Å; L162-K164 PolarHBondContact O-N 3.15Å
163P93.9Very high87.4Confident46 Ų4656 Ų5630%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-65.8117.5175.2-20.232000110.8V44 L46 D129V44-P163 HydrophobicContact CB-CB 4.46Å; V44-P163 HydrophobicContact CG1-CB 4.42Å; L46-P163 HydrophobicContact CD2-CB 4.39Å; L46-P163 HydrophobicContact CD2-CG 4.21Å; D129-P163 VanDerWaalsContact OD2-CD 3.27Å; D129-P163 WeakPolarHBondContact OD2-CD 3.14Å; D129-P163 WeakPolarHBondContact OD2-CG 3.46Å
164K92.7Very high86.1Confident71 Ų7154.9 Ų54.931%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-105.1140.6174.4-67.7-61.1-168.7179.30110.7V44 H45 Q47 L162 N166V44-K164 CarbonylContact C-O 3.45Å; V44-K164 WeakPolarHBondContact CA-O 3.21Å; V44-K164 VanDerWaalsContact CB-O 3.28Å; V44-K164 WeakPolarHBondContact CB-O 3.43Å; H45-K164 HydrophobicContact CB-CB 4.44Å; H45-K164 PolarHBondContact N-O 2.59Å; H45-K164 PolarHBondContact O-N 3.09Å; Q47-K164 HydrophobicContact CB-CG 4.08Å; Q47-K164 VanDerWaalsContact OE1-CG 3.24Å; L162-K164 HydrophobicContact CD2-CD 4.34Å; L162-K164 VanDerWaalsContact CD2-CE 3.41Å; L162-K164 HydrophobicContact CG-CD 4.32Å; L162-K164 PolarHBondContact O-N 3.15Å; K164-N166 PolarHBondContact O-N 2.79Å
165K88.5Confident84.4Confident180 Ų18050.7 Ų50.778%0.78326%0.255SS*.EExtended strand (participates in β ladder)trans-57.3136.7176.7-174.8-179.2175.7-171.60110.3
166N87.7Confident82.4Confident23 Ų2355.9 Ų55.912%0.12328%0.281CS..  trans-70.1133.1173.3178.646.8000112Y43 H45 V76 K164 V168Y43-N166 WeakPolarHBondContact O-CB 3.23Å; Y43-N166 PolarHBondContact O-N 2.83Å; Y43-N166 VanDerWaalsContact O-N 3.15Å; H45-N166 PolarHBondContact NE2-OD1 3.31Å; V76-N166 WeakPolarHBondContact CG2-OD1 3.12Å; K164-N166 PolarHBondContact O-N 2.79Å; N166-V168 PolarHBondContact ND2-O 3.01Å; N166-V168 VanDerWaalsContact OD1-CB 3.3Å; N166-V168 WeakPolarHBondContact OD1-CB 3.23Å; N166-V168 PolarHBondContact OD1-N 3.27Å
167T83.8Confident80.3Confident58 Ų5864.2 Ų64.236%0.35631%0.309SS..  trans-112.6-5171.954.50000112.6
168V81.4Confident78Confident7 Ų761.1 Ų61.14%0.04231%0.305CS..SBendtrans-74.8127.5177.3-177.50000109.2V76 N166 R172 L173V76-V168 HydrophobicContact CG2-CB 4.05Å; V76-V168 HydrophobicContact CG2-CG2 4.09Å; N166-V168 PolarHBondContact ND2-O 3.01Å; N166-V168 VanDerWaalsContact OD1-CB 3.3Å; N166-V168 WeakPolarHBondContact OD1-CB 3.23Å; N166-V168 PolarHBondContact OD1-N 3.27Å; V168-R172 HydrophobicContact CG1-CB 4.37Å; V168-L173 HydrophobicContact CG1-CD2 4.18Å
169P77.9Confident76Confident42 Ų4265.7 Ų65.727%0.27332%0.324SS..  trans-55.2141.2178-25.333.6000112.5E171 R172 V206P169-E171 WeakPolarHBondContact CB-OE2 3.3Å; P169-E171 PolarHBondContact O-N 3.13Å; P169-R172 PolarHBondContact O-N 3.22Å; P169-V206 HydrophobicContact CG-CG2 4.34Å
170L73.4Confident73.8Confident74 Ų7476 Ų7639%0.38736%0.363SS..SBendtrans-68.7-27.4-174.4-61.7-174.2000112.6Y43 R172 L173 L174Y43-L170 HydrophobicContact CD2-CD2 3.34Å; Y43-L170 HydrophobicContact CE2-CD1 4.35Å; Y43-L170 HydrophobicContact CE2-CD2 3.38Å; Y43-L170 HydrophobicContact CE2-CG 4.49Å; Y43-L170 HydrophobicContact CG-CD2 4.38Å; L170-R172 VanDerWaalsContact C-N 3.26Å; L170-R172 PolarHBondContact O-N 3.13Å; L170-L173 HydrophobicContact CD2-CD1 4.04Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 3.49Å; L170-L174 WeakPolarHBondContact O-CG 3.39Å; L170-L174 PolarHBondContact O-N 2.91Å
171E68.2Low71.7Confident135 Ų13582.8 Ų82.863%0.63140%0.4SS*.Hα-helixtrans-56.2-45.6177.5-60.668.2-144.900109.4P169 L173 L174 L175P169-E171 WeakPolarHBondContact CB-OE2 3.3Å; P169-E171 PolarHBondContact O-N 3.13Å; E171-L173 PolarHBondContact O-N 3.36Å; E171-L173 VanDerWaalsContact O-N 3.15Å; E171-L174 PolarHBondContact O-N 3.3Å; E171-L174 VanDerWaalsContact O-N 3.16Å; E171-L175 WeakPolarHBondContact O-CG 3.33Å; E171-L175 PolarHBondContact O-N 2.9Å
172R69.9Low69.8Low70 Ų7087.9 Ų87.926%0.26442%0.423SS..Hα-helixtrans-63.7-19.5177.4-70-172.1175.5150.25.4114.5V168 P169 L170 D202 R204V168-R172 HydrophobicContact CG1-CB 4.37Å; P169-R172 PolarHBondContact O-N 3.22Å; L170-R172 VanDerWaalsContact C-N 3.26Å; L170-R172 PolarHBondContact O-N 3.13Å; R172-D202 WeakPolarHBondContact CB-OD1 3.35Å; R172-D202 WeakPolarHBondContact CD-OD1 3.23Å; R172-D202 WeakPolarHBondContact CG-OD1 3.45Å; R172-D202 IonicContact NE-OD1 3.76Å; R172-R204 PolarHBondContact NH1-O 2.98Å
173L71.4Confident68.2Low11 Ų1192.8 Ų92.86%0.05846%0.455CS..Hα-helixtrans-92.1-21.1-179.6-53.4178.2000112.5S73 V76 V92 K93 V168 L170 E171S73-L173 WeakPolarHBondContact O-CD2 3.21Å; V76-L173 HydrophobicContact CB-CD1 4.17Å; V76-L173 HydrophobicContact CB-CD2 4Å; V76-L173 HydrophobicContact CG1-CD1 3.73Å; V76-L173 HydrophobicContact CG1-CD2 4.48Å; V76-L173 HydrophobicContact CG2-CD1 4.18Å; V76-L173 HydrophobicContact CG2-CD2 3.75Å; V92-L173 HydrophobicContact CG1-CB 4.01Å; V92-L173 HydrophobicContact CG1-CD1 4.3Å; K93-L173 HydrophobicContact CB-CD2 4.35Å; V168-L173 HydrophobicContact CG1-CD2 4.18Å; L170-L173 HydrophobicContact CD2-CD1 4.04Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 3.49Å; E171-L173 PolarHBondContact O-N 3.36Å; E171-L173 VanDerWaalsContact O-N 3.15Å
174L66.8Low66.7Low82 Ų8294.9 Ų94.943%0.42947%0.466SS..Hα-helixtrans-115.62.6-169.1-60.6178.4000114.2L170 E171 N176 R177L170-L174 WeakPolarHBondContact O-CG 3.39Å; L170-L174 PolarHBondContact O-N 2.91Å; E171-L174 PolarHBondContact O-N 3.3Å; E171-L174 VanDerWaalsContact O-N 3.16Å; L174-N176 PolarHBondContact O-N 3.44Å; L174-R177 PolarHBondContact O-N 3.22Å
175L57.5Low65.5Low61 Ų6195.4 Ų95.432%0.31947%0.473SS..Hα-helixtrans-49-28.7-176.7-83.4147.8000114.4E171E171-L175 WeakPolarHBondContact O-CG 3.33Å; E171-L175 PolarHBondContact O-N 2.9Å
176N52.8Low64.7Low132 Ų13292.5 Ų92.571%0.70647%0.472SS*.Hα-helixtrans-81-14.8178.7-68.7-22.5000114.9L174L174-N176 PolarHBondContact O-N 3.44Å
177R49.2Very low64Low204 Ų20496.4 Ų96.477%0.7750%0.501SS*.Hα-helixtrans-91.2-28.7-178.8-148.8175.3-176.21750.8112.4L174L174-R177 PolarHBondContact O-N 3.22Å
178G45.3Very low63.2Low38 Ų3894.8 Ų94.839%0.39249%0.491SS..Hα-helixtrans-74.3-24.4179.500000114.8R180 N181G178-R180 PolarHBondContact O-N 2.92Å; G178-R180 VanDerWaalsContact O-N 3.16Å; G178-N181 PolarHBondContact O-N 2.88Å
179K50.2Low62.4Low99 Ų9998.5 Ų98.543%0.4352%0.515SS..THydrogen-bonded Turntrans-67.9-12.4-178.7-67-176-179.1-174.90114.4E198K179-E198 IonicContact NZ-OE2 3.75Å
180R51.1Low61.8Low217 Ų217104.5 Ų104.582%0.81954%0.539SS*.THydrogen-bonded Turntrans-82.6-17.9176.2-76.3-173.7177.4132.70.2114.2G178G178-R180 PolarHBondContact O-N 2.92Å; G178-R180 VanDerWaalsContact O-N 3.16Å
181N51.5Low61.1Low149 Ų149104 Ų10480%0.79754%0.536SS*.SBendtrans-120.19.5-175.3-681.3000113.1G178 V183G178-N181 PolarHBondContact O-N 2.88Å; N181-V183 PolarHBondContact O-N 3.22Å
182Q58.3Low60.7Low107 Ų107100.4 Ų100.450%0.553%0.53SS..  trans-75.9125.7173.7-79.1178.827.400109.3V184Q182-V184 PolarHBondContact O-N 2.76Å; Q182-V184 VanDerWaalsContact O-N 3.13Å
183V60.7Low60Low143 Ų143104 Ų10487%0.86755%0.553SS**  trans-59.2114.8164.9174.90000106.3N181 D185N181-V183 PolarHBondContact O-N 3.22Å; V183-D185 PolarHBondContact O-N 2.85Å
184V63.2Low59.2Low89 Ų89106.5 Ų106.554%0.53957%0.566SS.*  trans-64.9127.5178.6-176.70000107.7Q182 P186Q182-V184 PolarHBondContact O-N 2.76Å; Q182-V184 VanDerWaalsContact O-N 3.13Å; V184-P186 WeakPolarHBondContact O-CD 3.49Å
185D67.8Low58.4Low82 Ų82109 Ų10944%0.43958%0.579SS.*  trans-62.2121.1170-178.9-9.8000108V183 S187 D188V183-D185 PolarHBondContact O-N 2.85Å; D185-S187 PolarHBondContact O-N 3.25Å; D185-S187 VanDerWaalsContact OD1-CB 3.26Å; D185-S187 WeakPolarHBondContact OD1-CB 3.41Å; D185-S187 PolarHBondContact OD1-N 2.96Å; D185-S187 PolarHBondContact OD1-OG 2.78Å; D185-D188 CarbonylContact O-C 3.51Å; D185-D188 VanDerWaalsContact O-C 3.28Å; D185-D188 PolarHBondContact O-N 2.79Å
186P70.7Confident57.6Low120 Ų120114.6 Ų114.678%0.77960%0.604SS**THydrogen-bonded Turntrans-59.5-16.8178.122.7-32.3000113.6V184V184-P186 WeakPolarHBondContact O-CD 3.49Å
187S73.4Confident57.2Low105 Ų105113.5 Ų113.573%0.73460%0.602SS**THydrogen-bonded Turntrans-85.1-21.7177.8-36.90000113.4D185D185-S187 PolarHBondContact O-N 3.25Å; D185-S187 VanDerWaalsContact OD1-CB 3.26Å; D185-S187 WeakPolarHBondContact OD1-CB 3.41Å; D185-S187 PolarHBondContact OD1-N 2.96Å; D185-S187 PolarHBondContact OD1-OG 2.78Å
188D66.4Low57.2Low24 Ų24107.1 Ų107.113%0.12858%0.581CS.*  trans-133.674175-173.23.8000110.1D185 H190 N191 A192 L193D185-D188 CarbonylContact O-C 3.51Å; D185-D188 VanDerWaalsContact O-C 3.28Å; D185-D188 PolarHBondContact O-N 2.79Å; D188-H190 PolarHBondContact O-N 2.79Å; D188-H190 PolarHBondContact OD1-N 2.97Å; D188-N191 PolarHBondContact O-N 3.25Å; D188-N191 PolarHBondContact OD1-N 2.96Å; D188-N191 VanDerWaalsContact OD2-C 3.31Å; D188-N191 WeakPolarHBondContact OD2-CA 3.15Å; D188-A192 PolarHBondContact OD1-N 2.94Å; D188-A192 VanDerWaalsContact OD1-N 3.12Å; D188-A192 PolarHBondContact OD2-N 2.95Å; D188-L193 PolarHBondContact OD2-N 3.22Å
189P64.4Low57.2Low84 Ų84112.9 Ų112.955%0.54560%0.603SS.*THydrogen-bonded Turntrans-64.3-13.6-177.124.7-33.4000113.5
190H65Low56.8Low169 Ų169111.6 Ų111.678%0.78262%0.618SS**THydrogen-bonded Turntrans-110.20.1-178.2-65.3-56.8000113.7D188 A192D188-H190 PolarHBondContact O-N 2.79Å; D188-H190 PolarHBondContact OD1-N 2.97Å; H190-A192 PolarHBondContact O-N 2.84Å
191N60.1Low56.5Low63 Ų63105 Ų10534%0.33761%0.605SS.*  trans53.834.6179.7-1216.2000112.8D188 L193 I194D188-N191 PolarHBondContact O-N 3.25Å; D188-N191 PolarHBondContact OD1-N 2.96Å; D188-N191 VanDerWaalsContact OD2-C 3.31Å; D188-N191 WeakPolarHBondContact OD2-CA 3.15Å; N191-L193 PolarHBondContact O-N 3.24Å; N191-I194 PolarHBondContact O-N 3.12Å; N191-I194 VanDerWaalsContact OD1-CD1 3.29Å; N191-I194 WeakPolarHBondContact OD1-CD1 3.17Å
192A58.4Low56.6Low59 Ų5999.2 Ų99.249%0.48857%0.574SS.*THydrogen-bonded Turntrans-66.1-23.4-172.700000112.6D188 H190D188-A192 PolarHBondContact OD1-N 2.94Å; D188-A192 VanDerWaalsContact OD1-N 3.12Å; D188-A192 PolarHBondContact OD2-N 2.95Å; H190-A192 PolarHBondContact O-N 2.84Å
193L55.9Low56.4Low146 Ų14697.2 Ų97.276%0.76457%0.572SS**THydrogen-bonded Turntrans-82.4-18.9-178.3-62.4175.6000114.1D188 N191D188-L193 PolarHBondContact OD2-N 3.22Å; N191-L193 PolarHBondContact O-N 3.24Å
194I54.1Low56Low64 Ų64100.6 Ų100.633%0.32857%0.569SS.*THydrogen-bonded Turntrans-85.8-25.4-177.2-62-172.5000112.2N191 Q196N191-I194 PolarHBondContact O-N 3.12Å; N191-I194 VanDerWaalsContact OD1-CD1 3.29Å; N191-I194 WeakPolarHBondContact OD1-CD1 3.17Å; I194-Q196 VanDerWaalsContact C-N 3.29Å; I194-Q196 PolarHBondContact O-N 3.33Å
195L49.6Very low55.5Low134 Ų13498.2 Ų98.270%0.70256%0.559SS**THydrogen-bonded Turntrans-69.3-22-170-153.580.2000114.2
196Q41.6Very low54.8Low178 Ų17898.6 Ų98.683%0.83256%0.564SS**THydrogen-bonded Turntrans-86-11.3-166.6-63.2-17013.200115.3I194I194-Q196 VanDerWaalsContact C-N 3.29Å; I194-Q196 PolarHBondContact O-N 3.33Å
197T43.8Very low53.8Low110 Ų110104 Ų10468%0.67557%0.569SS**SBendtrans-105.7-13.2-172.143.60000115.3
198E49.8Very low52.4Low69 Ų69105.7 Ų105.732%0.32257%0.565SS.*SBendtrans-102.2-28-161.7-58.9-167.6119.700115.5K179 G200 S201K179-E198 IonicContact NZ-OE2 3.75Å; E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 3.24Å; E198-S201 PolarHBondContact O-N 3.49Å
199D45.3Very low51.3Low159 Ų159112 Ų11285%0.8560%0.599SS**THydrogen-bonded Turntrans-70.3-22.8-171-94.5-14.7000114.5
200G42.7Very low50Low73 Ų73115.2 Ų115.275%0.75361%0.612SS**THydrogen-bonded Turntrans-92.5-24.4-179.500000115.3E198E198-G200 VanDerWaalsContact C-N 3.31Å; E198-G200 PolarHBondContact O-N 3.24Å
201S44.3Very low49.1Very low77 Ų77109.5 Ų109.554%0.53860%0.598SS.*THydrogen-bonded Turntrans-94.7-20.9-166.2-159.10000113.4E198 S203E198-S201 PolarHBondContact O-N 3.49Å; S201-S203 PolarHBondContact O-N 3.14Å; S201-S203 VanDerWaalsContact O-N 3.14Å
202D53.1Low47.9Very low28 Ų28113.7 Ų113.715%0.1562%0.621CS.*THydrogen-bonded Turntrans-82.96.5-166.3-147.218.6000115S73 K93 R172S73-D202 PolarHBondContact OG-O 3.12Å; K93-D202 VanDerWaalsContact NZ-CG 3.26Å; K93-D202 IonicContact NZ-OD2 2.59Å; K93-D202 PolarHBondContact NZ-OD2 3.26Å; R172-D202 WeakPolarHBondContact CB-OD1 3.35Å; R172-D202 WeakPolarHBondContact CD-OD1 3.23Å; R172-D202 WeakPolarHBondContact CG-OD1 3.45Å; R172-D202 IonicContact NE-OD1 3.76Å
203S53.7Low47Very low66 Ų66117.1 Ų117.146%0.46263%0.63SS.*THydrogen-bonded Turntrans-100.9-7.9-175.1-61.20000114.3S201S201-S203 PolarHBondContact O-N 3.14Å; S201-S203 VanDerWaalsContact O-N 3.14Å
204R53.7Low45.9Very low213 Ų213118.2 Ų118.280%0.80463%0.632SS**SBendtrans-115.7129.5-175.2-71.8-179.5162.8152.6-3.7111.8R172R172-R204 PolarHBondContact NH1-O 2.98Å
205A51Low45Very low40 Ų40123.7 Ų123.733%0.33166%0.658SS.*PPolyproline II helixtrans-60.1149168.900000110.4R207A205-R207 PolarHBondContact O-N 3.37Å
206V53Low44.2Very low90 Ų90126.4 Ų126.455%0.54567%0.667SS.*PPolyproline II helixtrans-64.3130.5169.3-1790000107.3P169P169-V206 HydrophobicContact CG-CG2 4.34Å
207R50Low43.7Very low234 Ų234123.1 Ų123.188%0.88366%0.659SS**PPolyproline II helixtrans-69.1131173.6-71.2-176.1164.7114.9-5.4108A205 D209A205-R207 PolarHBondContact O-N 3.37Å; R207-D209 PolarHBondContact O-N 2.89Å
208E45.3Very low43.1Very low139 Ų139126.7 Ų126.765%0.6567%0.668SS**PPolyproline II helixtrans-73.1121.6166.4-68171.7157.400105.9D210E208-D210 PolarHBondContact O-N 2.81Å
209D43.6Very low42.3Very low158 Ų158129.8 Ų129.885%0.84569%0.692SS**  trans-78.796.7171.4-175.141.8000106.3R207 G211R207-D209 PolarHBondContact O-N 2.89Å; D209-G211 PolarHBondContact O-N 3.34Å
210D36.3Very low41.5Very low150 Ų150130.9 Ų130.980%0.80269%0.692SS**  trans-76.378.1172.3-67.6-35000107.8E208E208-D210 PolarHBondContact O-N 2.81Å
211G46.7Very low41Very low49 Ų49134.3 Ų134.351%0.50570%0.698SS.*  trans-76.3116.1163.900000109D209D209-G211 PolarHBondContact O-N 3.34Å
212D33.3Very low40.4Very low151 Ų151133.8 Ų133.881%0.80771%0.705SS**  trans167.1133.5151.6-78.2-22.4000107
213L39.3Very low39.3Very low131 Ų131139.6 Ų139.669%0.68674%0.735SS**  cis-166.1153-0.5-95.5166.2000106.7
214E34.1Very low38.4Very low170 Ų170143.2 Ų143.279%0.79475%0.75SS**  trans66.4100.7146.7-63.7164.9-151.900120.1
215M35.2Very low37.4Very low178 Ų178136.4 Ų136.488%0.87775%0.746SS**  trans-130.6104.8144.9-165.7176.3-160.100108.3V217M215-V217 HydrophobicContact CG-CG2 4.46Å; M215-V217 PolarHBondContact O-N 2.76Å
216E32.1Very low36.6Very low191 Ų191140.7 Ų140.789%0.89377%0.768SS**  trans-62.2119.2166.8-61.9179.9139.800108.8
217V32.1Very low35.6Very low110 Ų110143.9 Ų143.967%0.66778%0.782SS**  trans-138.5105.8156.81750000107.4M215M215-V217 HydrophobicContact CG-CG2 4.46Å; M215-V217 PolarHBondContact O-N 2.76Å
218E30.1Very low34.7Very low184 Ų184137.5 Ų137.586%0.8678%0.779SS**  trans-65.8124.8161.6-62.1-179.4139.300109.1
219T32.9Very low34.2Very low134 Ų134136.3 Ų136.382%0.82279%0.786SS**  trans-149.8127144.436.20000109.8
220E29.7Very low33.9Very low182 Ų182140.4 Ų140.485%0.8579%0.79SS**  trans-84.2163.2-177.6-57.2-164.3155.200113.2
221V31.5Very low33.8Very low146 Ų146141.9 Ų141.989%0.88579%0.792SS**  trans97.9122.1151.1-166.40000119
222G32.2Very low33.2Very low66 Ų66145.3 Ų145.368%0.6880%0.803SS**  trans121.179.6156.400000113
223D30.4Very low33.2Very low149 Ų149144.2 Ų144.280%0.79780%0.804SS**  77.2138.783.2-158.828.3000115.1
224D34.7Very low32.9Very low142 Ų142146.7 Ų146.776%0.75981%0.812SS**  trans73.288.7172.1-66-34.1000119.8
225G32.2Very low33Very low71 Ų71147 Ų14773%0.73281%0.814SS**  trans-74.9152150.700000112.2
226V34.3Very low33.1Very low129 Ų129142.7 Ų142.778%0.78281%0.806SS**  trans173.6120.7134.21560000104.9
227N31.6Very low33.5Very low158 Ų158139.5 Ų139.585%0.84580%0.802SS**  trans-169.194.8140.2-85.6-22.2000108.2
228A30.6Very low33.8Very low100 Ų100139 Ų13983%0.82680%0.804SS**  trans-68.1125.1169.200000109.5
229S36.1Very low34.4Very low114 Ų114138.3 Ų138.380%0.79781%0.806SS**  trans-127.5110.4153.5-760000107.3
230R36.6Very low34.9Very low243 Ų243140 Ų14092%0.91780%0.804SS**  trans-87.2104.6-173.6176.4-178.7-177.91690.4107.5
231E34.3Very low35.5Very low182 Ų182136.3 Ų136.385%0.8579%0.79SS**  trans-100.4138168.6-52.4-146.514500110.2
232T34.4Very low36.1Very low121 Ų121134.7 Ų134.774%0.74278%0.783SS**  trans-74.8147.1-169-420000111.2Q234T232-Q234 PolarHBondContact O-N 3.29Å; T232-Q234 VanDerWaalsContact O-N 3.16Å
233P32.7Very low36.8Very low127 Ų127140.6 Ų140.683%0.82578%0.784SS**  trans-69.4113.4178.4-13.127.5000110.6
234Q34Very low37.7Very low184 Ų184141 Ų14186%0.8679%0.786SS**  trans-88.5120.4169.1-79.7-171.4-38.600110.8T232T232-Q234 PolarHBondContact O-N 3.29Å; T232-Q234 VanDerWaalsContact O-N 3.16Å
235Q34.8Very low38.2Very low177 Ų177139.6 Ų139.683%0.82778%0.783SS**  trans38.3122.3141.9-121.182.7-1.500119.6
236A38.9Very low38.9Very low87 Ų87145 Ų14572%0.71979%0.789SS**PPolyproline II helixtrans-48.3144.4162.300000112.2S238A236-S238 PolarHBondContact O-N 2.85Å
237P38.5Very low39.4Very low123 Ų123143.7 Ų143.780%0.79979%0.786SS**PPolyproline II helixtrans-64.4126179.98.1-3.9000110.3N239P237-N239 PolarHBondContact O-N 3.23Å
238S39.8Very low39.9Very low100 Ų100141.2 Ų141.270%0.69978%0.781SS**PPolyproline II helixtrans-56124.8172.154.60000110.8A236 H240A236-S238 PolarHBondContact O-N 2.85Å; S238-H240 VanDerWaalsContact C-N 3.28Å; S238-H240 PolarHBondContact O-N 3.35Å
239N42.6Very low40.2Very low169 Ų169148.2 Ų148.290%0.90479%0.786SS**  trans-67.585.6164.6-79.2-52.6000109.6P237P237-N239 PolarHBondContact O-N 3.23Å
240H43.3Very low40.3Very low169 Ų169151.5 Ų151.578%0.78279%0.789SS**  trans-118.695.5160.8-100.6-56.2000108.4S238 P242S238-H240 VanDerWaalsContact C-N 3.28Å; S238-H240 PolarHBondContact O-N 3.35Å; H240-P242 WeakPolarHBondContact O-CD 3.47Å
241D41.8Very low40.4Very low106 Ų106144.6 Ų144.657%0.56778%0.784SS**  trans-74.1113.8167.2-174.4-1.5000108.3W243D241-W243 VanDerWaalsContact CG-O 3.29Å; D241-W243 PolarHBondContact O-N 3.13Å; D241-W243 PolarHBondContact OD1-N 3.12Å
242P43.6Very low40.5Very low112 Ų112141.2 Ų141.273%0.72778%0.78SS**SBendtrans-79.90.1-179.332.7-31.7000112.4H240H240-P242 WeakPolarHBondContact O-CD 3.47Å
243W48.3Very low40.9Very low189 Ų189141 Ų14172%0.71678%0.78SS**SBendtrans-112.4109.5175.9-55.597.6000108D241 V245D241-W243 VanDerWaalsContact CG-O 3.29Å; D241-W243 PolarHBondContact O-N 3.13Å; D241-W243 PolarHBondContact OD1-N 3.12Å; W243-V245 HydrophobicContact CB-CG2 3.69Å; W243-V245 PolarHBondContact O-N 3.16Å
244N47.8Very low41.3Very low157 Ų157146.3 Ų146.384%0.8478%0.784SS**  trans-70.364.6-179.4-135.76.1000111.3
245V47.2Very low41.6Very low114 Ų114145.3 Ų145.369%0.69178%0.783SS**  trans-90.3-0.1-172-173.50000112.3W243W243-V245 HydrophobicContact CB-CG2 3.69Å; W243-V245 PolarHBondContact O-N 3.16Å
246Q46Very low41.9Very low184 Ų184143.1 Ų143.186%0.8678%0.782SS**  trans-111.168.4174.1-67.2-168.82.900112.4
247S44.7Very low41.9Very low101 Ų101142.3 Ų142.371%0.70678%0.782SS**SBendtrans-149.756.9157.361.90000112.8
248S42.8Very low42Very low106 Ų106143.1 Ų143.174%0.74179%0.785SS**  trans-161.765.9155.662.50000111.4
249R35.6Very low42.2Very low248 Ų248145.1 Ų145.194%0.93679%0.792SS**  trans-90.192148-70.3-162.5-160.6-152.76.6107A251R249-A251 PolarHBondContact O-N 3.49Å
250Q37.9Very low42.1Very low183 Ų183143.9 Ų143.986%0.85582%0.82SS**PPolyproline II helixtrans-51.1131.8160.5-79.3173.3-29.200108.5S252Q250-S252 PolarHBondContact O-N 3.46Å
251A39.9Very low42Very low98 Ų98142.6 Ų142.681%0.8182%0.821SS**PPolyproline II helixtrans-57125.1172.900000109.6R249R249-A251 PolarHBondContact O-N 3.49Å
252S36.8Very low42Very low111 Ų111144.5 Ų144.578%0.77684%0.835SS**PPolyproline II helixtrans-70.7137.2170.6-154.80000109.2Q250 R254Q250-S252 PolarHBondContact O-N 3.46Å; S252-R254 PolarHBondContact O-N 2.99Å
253P42.8Very low41.9Very low115 Ų115146.3 Ų146.375%0.74784%0.841SS**PPolyproline II helixtrans-73.8123.8179.314.1-5.6000110.5I255P253-I255 PolarHBondContact O-N 3.29Å
254R39.3Very low41.6Very low240 Ų240143.8 Ų143.891%0.90685%0.848SS**  trans-73.8107.5169.8-121-179.1-167.1-156.53.5108.7S252 T256S252-R254 PolarHBondContact O-N 2.99Å; R254-T256 PolarHBondContact O-N 3.35Å
255I40.9Very low41.2Very low162 Ų162143 Ų14383%0.83185%0.849SS**  trans-71.3117.4164.8-65.4174.4000107.4P253P253-I255 PolarHBondContact O-N 3.29Å
256T41.9Very low40.8Very low132 Ų132144.9 Ų144.981%0.8186%0.859SS**  trans-84.6109.9168.822.60000108R254R254-T256 PolarHBondContact O-N 3.35Å
257G39Very low40.4Very low70 Ų70142.1 Ų142.172%0.72286%0.859SS**  trans-93.6114.1168.600000109.7
258T39.9Very low40.1Very low140 Ų140145.3 Ų145.386%0.85987%0.871SS**  trans-75.1129170.6-45.10000108.9
259V44.3Very low39.8Very low141 Ų141148.6 Ų148.686%0.85588%0.882SS**  trans-85126.6170.9-1740000107.9
260G39.7Very low40.2Very low143 Ų143139.5 Ų139.5100%1.47488%0.877SS**  trans-115.80159.400000108.8

Retrieved 260 of 260 residues in 119.4 ms (Link to these results)