A0A096NBH6_PAPAN Loading...

Translocase of outer mitochondrial membrane 40 like

AlphaFold DB , UniProt , Accession A0A096NBH6, Species PAPAN (Papio anubis, Olive baboon), Gene TOMM40L, Length 308 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
1M36.1Very low36.4Very low251 Ų251135.5 Ų135.5100%1.23685%0.845SS**  097.30-64.1177.2175.200105
2G37.5Very low36.4Very low69 Ų69135.7 Ų135.771%0.71185%0.845SS**  113.7111.153.600000105.8
3N30.7Very low36.2Very low159 Ų159143.3 Ų143.385%0.8585%0.849SS**  trans149.9140.7156.9-84.10.1000110.3
4T34Very low36.3Very low120 Ų120141.7 Ų141.774%0.73684%0.844SS**  cis-168.8139.2-15.816.60000103.1G6T4-G6 PolarHBondContact O-N 3.42Å
5L37.8Very low36.4Very low179 Ų179148.6 Ų148.694%0.93785%0.849SS**  trans-60.2126.6174-77.5132.2000111.3
6G34.3Very low36.4Very low76 Ų76153.6 Ų153.678%0.78485%0.85SS**  trans-114.1108.2161.500000109.1T4T4-G6 PolarHBondContact O-N 3.42Å
7L34.8Very low36.4Very low170 Ų170149.8 Ų149.889%0.8984%0.837SS**PPolyproline II helixtrans-59.5130.5177.7-80.7139000111.4
8A37.3Very low36.7Very low87 Ų87148.4 Ų148.472%0.71984%0.836SS**PPolyproline II helixtrans-67.1137.5169.900000110.4M10A8-M10 PolarHBondContact O-N 3.3Å
9P38.8Very low37Very low129 Ų129151.8 Ų151.884%0.83883%0.834SS**PPolyproline II helixtrans-69.2130173.2-6.220.8000109.7
10M38.9Very low37.3Very low183 Ų183156.4 Ų156.490%0.90184%0.838SS**PPolyproline II helixtrans-57.5137.7170.5-77.5-132.4-84.900110.9A8 T12A8-M10 PolarHBondContact O-N 3.3Å; M10-T12 PolarHBondContact O-N 3.42Å
11G39.8Very low38.3Very low67 Ų67157.5 Ų157.569%0.69184%0.838SS**PPolyproline II helixtrans-49.3124.1-176.900000113.3W13G11-W13 PolarHBondContact O-N 3.3Å
12T36.7Very low39.7Very low138 Ų138152.3 Ų152.385%0.84781%0.811SS**  trans-74.4109.2166.942.90000108.5M10M10-T12 PolarHBondContact O-N 3.42Å
13W33.8Very low41.5Very low235 Ų235154.5 Ų154.589%0.8981%0.813SS**  trans-57.3134.3165.4-68.769.2000108.5G11 R15G11-W13 PolarHBondContact O-N 3.3Å; W13-R15 PolarHBondContact O-N 3.02Å
14P38.1Very low44Very low121 Ų121149.4 Ų149.479%0.78679%0.785SS**  trans-63.3111.5176.823.8-30000108.2R16P14-R16 PolarHBondContact O-N 3.37Å
15R37.1Very low46.4Very low245 Ų245146.7 Ų146.793%0.92577%0.77SS**  trans-51.2108.4164.3-95.9178.1160.9-174.4-5.5106.5W13 S17W13-R15 PolarHBondContact O-N 3.02Å; R15-S17 PolarHBondContact O-N 3.44Å
16R36.9Very low48.8Very low229 Ų229140.9 Ų140.986%0.86474%0.739SS**  trans-53.8108.9161.8-81.5179.7171.2176.8-1.8105.6P14P14-R16 PolarHBondContact O-N 3.37Å
17S36.7Very low51.2Low89 Ų89137.5 Ų137.562%0.62270%0.703SS**  trans-45.9135.5159.748.20000107.2R15 R19R15-S17 PolarHBondContact O-N 3.44Å; S17-R19 PolarHBondContact O-N 3.2Å
18P41.8Very low53.7Low125 Ų125130.1 Ų130.181%0.81267%0.668SS**  trans-52.5117.6166.55.1-0.6000105.1R20P18-R20 PolarHBondContact O-N 3.22Å
19R42.4Very low56Low213 Ų213126.4 Ų126.480%0.80464%0.637SS**  trans-51.2123.6169.8-73.6178.4175.6175.3-3.7103.9S17 E21S17-R19 PolarHBondContact O-N 3.2Å; R19-E21 PolarHBondContact O-N 2.94Å
20R43.3Very low58.3Low243 Ų243121 Ų12192%0.91760%0.601SS**  trans-53.899.2172.6-167178.2-171.41791.3104.8P18 E22P18-R20 PolarHBondContact O-N 3.22Å; R20-E22 PolarHBondContact O-N 2.93Å; R20-E22 VanDerWaalsContact O-N 3.09Å
21E57.5Low60.5Low180 Ų180117.7 Ų117.784%0.84159%0.587SS**PPolyproline II helixtrans-58.3119.7-179.3-76.3175.6167.700104.8R19R19-E21 PolarHBondContact O-N 2.94Å
22E65.3Low62.7Low142 Ų142118 Ų11866%0.66457%0.57SS**PPolyproline II helixtrans-56.4130.3174.9-74.6178.2168.300106.7R20 L24R20-E22 PolarHBondContact O-N 2.93Å; R20-E22 VanDerWaalsContact O-N 3.09Å; E22-L24 PolarHBondContact O-N 2.91Å; E22-L24 VanDerWaalsContact O-N 3.14Å
23P76Confident65.2Low115 Ų115111.7 Ų111.775%0.74753%0.531SS*.PPolyproline II helixtrans-56.5127.3-176.922.3-31.5000108.5
24L83.4Confident67.9Low51 Ų51101.1 Ų101.127%0.26749%0.492SS..PPolyproline II helixtrans-61.9140.9178.1-66.9174000108.8E22 D145 S171E22-L24 PolarHBondContact O-N 2.91Å; E22-L24 VanDerWaalsContact O-N 3.14Å; L24-D145 HydrophobicContact CB-CB 4.14Å; L24-S171 VanDerWaalsContact CD1-O 3.29Å; L24-S171 WeakPolarHBondContact CD1-O 3.32Å
25P84.6Confident70.4Confident64 Ų64101.6 Ų101.642%0.41648%0.478SS..PPolyproline II helixtrans-69.9145.9178.829.1-34.1000110.3S171P25-S171 WeakPolarHBondContact O-CB 3.47Å; P25-S171 PolarHBondContact O-OG 3Å
26N86.3Confident73Confident57 Ų5794 Ų9431%0.30546%0.455SS..PPolyproline II helixtrans-60.3134.1173.9-179-71.2000110G28 G143 D144 Y146 T147N26-G28 PolarHBondContact O-N 3.15Å; N26-G28 WeakPolarHBondContact OD1-CA 3.42Å; N26-G28 PolarHBondContact OD1-N 3.37Å; N26-G143 PolarHBondContact ND2-O 3.48Å; N26-D144 VanDerWaalsContact CA-O 3.26Å; N26-D144 WeakPolarHBondContact CA-O 3.44Å; N26-D144 PolarHBondContact N-O 2.9Å; N26-Y146 PolarHBondContact ND2-O 3.5Å; N26-T147 PolarHBondContact ND2-OG1 3.16Å; N26-T147 PolarHBondContact OD1-OG1 3.46Å
27P85.3Confident75.6Confident4 Ų483.2 Ų83.23%0.02642%0.415CS..  trans-70.6-12.9-174.826.3-34.5000115.3L169 V177 K200P27-L169 HydrophobicContact CB-CB 4.18Å; P27-L169 HydrophobicContact CG-CB 3.98Å; P27-V177 HydrophobicContact CB-CB 4.25Å; P27-V177 HydrophobicContact CB-CG1 3.4Å; P27-V177 VanDerWaalsContact CB-CG1 3.4Å; P27-V177 HydrophobicContact CB-CG2 3.78Å; P27-V177 HydrophobicContact CG-CG1 4.47Å; P27-K200 PolarHBondContact O-NZ 2.67Å
28G87.3Confident78.2Confident15 Ų1584.3 Ų84.316%0.15541%0.408CS..  trans85.3-168.2-169.800000112.4N26 T147N26-G28 PolarHBondContact O-N 3.15Å; N26-G28 WeakPolarHBondContact OD1-CA 3.42Å; N26-G28 PolarHBondContact OD1-N 3.37Å; G28-T147 VanDerWaalsContact O-CB 3.26Å; G28-T147 WeakPolarHBondContact O-CB 3.26Å; G28-T147 WeakPolarHBondContact O-CG2 3.43Å; G28-T147 PolarHBondContact O-OG1 3.32Å
29S86.9Confident80.6Confident10 Ų1082.3 Ų82.37%0.0739%0.391CS..  trans-85.8156.6174.5-1740000111.9D31 E32 E140S29-D31 VanDerWaalsContact C-N 3.31Å; S29-D31 PolarHBondContact O-N 3.28Å; S29-E32 PolarHBondContact O-N 2.81Å; S29-E140 VanDerWaalsContact CB-OE1 3.32Å; S29-E140 WeakPolarHBondContact CB-OE1 3.35Å; S29-E140 PolarHBondContact OG-OE1 2.66Å
30F86.9Confident83Confident16 Ų1672.1 Ų72.17%0.0735%0.352CS..G310 helixtrans-62.6-37.7175.5-168-89000112.3E32 L33 H167 L169 E181 A198F30-E32 PolarHBondContact O-N 2.82Å; F30-E32 VanDerWaalsContact O-N 3.17Å; F30-L33 VanDerWaalsContact O-CB 3.31Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.15Å; F30-H167 HydrophobicContact CB-CB 3.86Å; F30-H167 AromaticContact CD1-CD2 3.82Å; F30-H167 AromaticContact CD1-CE1 3.93Å; F30-H167 AromaticContact CD1-NE2 3.7Å; F30-H167 HydrophobicContact CD2-CB 4.29Å; F30-H167 HydrophobicContact CG-CB 4.11Å; F30-H167 AromaticContact CG-CD2 3.92Å; F30-H167 AromaticContact CG-CG 3.82Å; F30-L169 HydrophobicContact CB-CD1 4Å; F30-L169 HydrophobicContact CD2-CD1 4.05Å; F30-L169 HydrophobicContact CD2-CD2 4.15Å; F30-L169 HydrophobicContact CD2-CG 4.01Å; F30-L169 HydrophobicContact CG-CD1 4.47Å; F30-E181 HydrophobicContact CE1-CB 3.98Å; F30-E181 HydrophobicContact CE1-CG 4.47Å; F30-E181 HydrophobicContact CE2-CB 3.98Å; F30-E181 HydrophobicContact CZ-CB 3.55Å; F30-E181 HydrophobicContact CZ-CG 4.47Å; F30-A198 HydrophobicContact CD2-CB 4.4Å; F30-A198 HydrophobicContact CE2-CB 3.45Å; F30-A198 VanDerWaalsContact CE2-CB 3.45Å; F30-A198 HydrophobicContact CZ-CB 3.97Å
31D84.3Confident85.3Confident113 Ų11361.6 Ų61.660%0.60431%0.313SS*.G310 helixtrans-62.7-24.7177.6-65-27.5000113S29 L33S29-D31 VanDerWaalsContact C-N 3.31Å; S29-D31 PolarHBondContact O-N 3.28Å; D31-L33 VanDerWaalsContact C-N 3.34Å
32E86.5Confident87Confident72 Ų7253.5 Ų53.534%0.33628%0.276SS..G310 helixtrans-86.9-4.4-177.1-62.2-170.6136.600113.4S29 F30 H34 R35S29-E32 PolarHBondContact O-N 2.81Å; F30-E32 PolarHBondContact O-N 2.82Å; F30-E32 VanDerWaalsContact O-N 3.17Å; E32-H34 VanDerWaalsContact C-N 3.34Å; E32-H34 PolarHBondContact O-N 3.1Å; E32-R35 HydrophobicContact CB-CB 4.43Å; E32-R35 WeakPolarHBondContact O-CB 3.33Å; E32-R35 PolarHBondContact O-N 3.09Å; E32-R35 IonicContact OE1-NH1 2.67Å; E32-R35 PolarHBondContact OE1-NH1 2.81Å
33L88.9Confident88.1Confident6 Ų650 Ų503%0.03127%0.271CS..THydrogen-bonded Turntrans-58.1-45.5-174.4-156.179.5000112F30 D31 A198 K200 T209 N211F30-L33 VanDerWaalsContact O-CB 3.31Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.15Å; D31-L33 VanDerWaalsContact C-N 3.34Å; L33-A198 HydrophobicContact CD2-CB 3.92Å; L33-K200 HydrophobicContact CD1-CB 3.63Å; L33-K200 HydrophobicContact CD1-CD 4.05Å; L33-K200 HydrophobicContact CD1-CG 4.43Å; L33-K200 HydrophobicContact CG-CB 4.38Å; L33-T209 HydrophobicContact CG-CG2 4.04Å; L33-T209 VanDerWaalsContact O-CG2 3.27Å; L33-T209 WeakPolarHBondContact O-CG2 3.13Å; L33-N211 WeakPolarHBondContact CD2-OD1 3.35Å
34H91.1Very high88.6Confident14 Ų1452.4 Ų52.47%0.06527%0.272CS..THydrogen-bonded Turntrans-96.1-2.6179.9-65-81.2000113.6E32 L36 C37 K38 T209 N211 H218 S220E32-H34 VanDerWaalsContact C-N 3.34Å; E32-H34 PolarHBondContact O-N 3.1Å; H34-L36 VanDerWaalsContact C-N 3.34Å; H34-L36 PolarHBondContact O-N 3.08Å; H34-C37 PolarHBondContact O-N 3.09Å; H34-C37 VanDerWaalsContact O-N 3.12Å; H34-K38 HydrophobicContact CB-CD 4.33Å; H34-K38 HydrophobicContact CB-CG 4.45Å; H34-K38 WeakPolarHBondContact O-CG 3.31Å; H34-K38 PolarHBondContact O-N 3.15Å; H34-T209 PolarHBondContact CE1-OG1 2.86Å; H34-T209 PolarHBondContact ND1-OG1 3.02Å; H34-N211 PolarHBondContact NE2-ND2 2.94Å; H34-N211 PolarHBondContact NE2-OD1 2.92Å; H34-H218 AromaticContact CD2-CE1 3.81Å; H34-H218 AromaticContact CD2-ND1 3.53Å; H34-H218 AromaticContact CE1-CE1 3.62Å; H34-H218 AromaticContact CE1-CG 3.9Å; H34-H218 AromaticContact CE1-ND1 3.25Å; H34-H218 PolarHBondContact CE1-ND1 3.14Å; H34-H218 AromaticContact CG-CE1 3.45Å; H34-H218 VanDerWaalsContact CG-CE1 3.45Å; H34-H218 AromaticContact CG-ND1 3.64Å; H34-H218 AromaticContact ND1-CE1 3.34Å; H34-H218 PolarHBondContact ND1-CE1 2.64Å; H34-H218 VanDerWaalsContact ND1-CE1 3.34Å; H34-H218 AromaticContact ND1-ND1 3.48Å; H34-H218 PolarHBondContact ND1-ND1 2.95Å; H34-H218 AromaticContact NE2-CE1 3.94Å; H34-H218 AromaticContact NE2-ND1 3.32Å; H34-H218 PolarHBondContact NE2-ND1 2.86Å; H34-S220 WeakPolarHBondContact ND1-CB 3.42Å; H34-S220 PolarHBondContact ND1-OG 2.73Å
35R91.1Very high88.7Confident131 Ų13151.6 Ų51.649%0.49427%0.268SS..Hα-helixtrans-57.7-44.1-171.6-178.2177.8179175.45.6112.6E32 C37 K38 D39E32-R35 HydrophobicContact CB-CB 4.43Å; E32-R35 WeakPolarHBondContact O-CB 3.33Å; E32-R35 PolarHBondContact O-N 3.09Å; E32-R35 IonicContact OE1-NH1 2.67Å; E32-R35 PolarHBondContact OE1-NH1 2.81Å; R35-C37 VanDerWaalsContact C-N 3.28Å; R35-C37 PolarHBondContact O-N 2.82Å; R35-K38 PolarHBondContact O-N 3.02Å; R35-D39 IonicContact NE-OD2 3.55Å; R35-D39 WeakPolarHBondContact O-CB 3.48Å; R35-D39 VanDerWaalsContact O-CG 3.23Å; R35-D39 PolarHBondContact O-N 3.05Å
36L90.3Very high88.8Confident86 Ų8651.4 Ų51.445%0.4526%0.262SS..Hα-helixtrans-59.3-38.1179.4-68.9176.6000113H34 V207 Y222H34-L36 VanDerWaalsContact C-N 3.34Å; H34-L36 PolarHBondContact O-N 3.08Å; L36-V207 HydrophobicContact CD1-CG2 4.09Å; L36-Y222 HydrophobicContact CB-CD1 4.44Å; L36-Y222 HydrophobicContact CB-CD2 4.34Å; L36-Y222 HydrophobicContact CB-CG 4.13Å; L36-Y222 VanDerWaalsContact O-CD2 3.28Å; L36-Y222 WeakPolarHBondContact O-CD2 3.48Å
37C91.7Very high89Confident2 Ų249.5 Ų49.51%0.01426%0.255CS..Hα-helixtrans-75.5-43.9176.3-1660000110.8H34 R35 D39 V40 F41 V233H34-C37 PolarHBondContact O-N 3.09Å; H34-C37 VanDerWaalsContact O-N 3.12Å; R35-C37 VanDerWaalsContact C-N 3.28Å; R35-C37 PolarHBondContact O-N 2.82Å; C37-D39 VanDerWaalsContact C-N 3.3Å; C37-D39 PolarHBondContact O-N 2.84Å; C37-V40 WeakPolarHBondContact O-CB 3.25Å; C37-V40 PolarHBondContact O-N 2.83Å; C37-V40 VanDerWaalsContact O-N 3.16Å; C37-F41 WeakPolarHBondContact O-CD2 3.49Å; C37-F41 WeakPolarHBondContact O-CE2 3.27Å; C37-V233 PolarHBondContact SG-N 3.19Å; C37-V233 PolarHBondContact SG-O 2.98Å; C37-V233 VanDerWaalsContact SG-O 3.39Å
38K91.1Very high89.3Confident111 Ų11151 Ų5148%0.48326%0.264SS..Hα-helixtrans-59.1-38.3179.2-73.6-174.7177.4-176.90112.7H34 R35 V40 F41H34-K38 HydrophobicContact CB-CD 4.33Å; H34-K38 HydrophobicContact CB-CG 4.45Å; H34-K38 WeakPolarHBondContact O-CG 3.31Å; H34-K38 PolarHBondContact O-N 3.15Å; R35-K38 PolarHBondContact O-N 3.02Å; K38-V40 PolarHBondContact O-N 2.83Å; K38-F41 PolarHBondContact O-N 2.84Å
39D91.6Very high89.6Confident83 Ų8354.7 Ų54.744%0.44428%0.276SS..THydrogen-bonded Turntrans-67.4-19.3-179.8-72.7-14.8000113.7R35 C37 R262R35-D39 IonicContact NE-OD2 3.55Å; R35-D39 WeakPolarHBondContact O-CB 3.48Å; R35-D39 VanDerWaalsContact O-CG 3.23Å; R35-D39 PolarHBondContact O-N 3.05Å; C37-D39 VanDerWaalsContact C-N 3.3Å; C37-D39 PolarHBondContact O-N 2.84Å; D39-R262 PolarHBondContact O-NH1 3.39Å
40V93.1Very high89.9Confident0 Ų056.9 Ų56.90%029%0.287CS..THydrogen-bonded Turntrans-72.5-32.4175.2176.50000111.3C37 K38 Y222 Q230 H251C37-V40 WeakPolarHBondContact O-CB 3.25Å; C37-V40 PolarHBondContact O-N 2.83Å; C37-V40 VanDerWaalsContact O-N 3.16Å; K38-V40 PolarHBondContact O-N 2.83Å; V40-Y222 HydrophobicContact CG2-CD2 3.71Å; V40-Y222 HydrophobicContact CG2-CE2 3.64Å; V40-Q230 HydrophobicContact CG2-CB 4.36Å; V40-H251 HydrophobicContact CB-CB 4.4Å; V40-H251 HydrophobicContact CG1-CB 3.83Å
41F93Very high90.3Very high22 Ų2257.1 Ų57.110%0.09629%0.289CS..SBendtrans-73.8146.4-174.9-64.7-79.1000112C37 K38 E234 G249 L264C37-F41 WeakPolarHBondContact O-CD2 3.49Å; C37-F41 WeakPolarHBondContact O-CE2 3.27Å; K38-F41 PolarHBondContact O-N 2.84Å; F41-E234 HydrophobicContact CE2-CB 3.92Å; F41-E234 WeakPolarHBondContact CE2-OE2 3.07Å; F41-E234 HydrophobicContact CZ-CB 3.75Å; F41-G249 VanDerWaalsContact CE1-N 3.32Å; F41-L264 HydrophobicContact CD1-CB 4.42Å; F41-L264 HydrophobicContact CD1-CD1 3.48Å; F41-L264 VanDerWaalsContact CD1-CD1 3.48Å; F41-L264 HydrophobicContact CD1-CG 4.42Å; F41-L264 HydrophobicContact CE1-CD1 3.6Å
42P92.4Very high90.8Very high9 Ų954.4 Ų54.46%0.05828%0.277CS..PPolyproline II helixtrans-69.7134.5172.827.8-31.8000111Q44 R262 L264 V274 F291P42-Q44 PolarHBondContact O-N 2.8Å; P42-R262 HydrophobicContact CB-CB 3.8Å; P42-R262 HydrophobicContact CG-CB 4.43Å; P42-L264 HydrophobicContact CG-CB 3.59Å; P42-V274 HydrophobicContact CB-CB 3.83Å; P42-V274 HydrophobicContact CB-CG2 3.58Å; P42-F291 HydrophobicContact CB-CZ 4.16Å; P42-F291 HydrophobicContact CG-CE1 4.25Å; P42-F291 HydrophobicContact CG-CZ 4.32Å
43A88.8Confident91.1Very high68 Ų6853.1 Ų53.156%0.56227%0.272SS*.PPolyproline II helixtrans-68.7131.5169.600000110M45 V274 F291A43-M45 PolarHBondContact O-N 2.89Å; A43-V274 WeakPolarHBondContact O-CG2 3.37Å; A43-F291 WeakPolarHBondContact O-CZ 3.35Å
44Q86.1Confident91.3Very high166 Ų16658.9 Ų58.978%0.77630%0.297SS*.PPolyproline II helixtrans-62.7131.4173.7-68.3-172.82.800110P42 F291P42-Q44 PolarHBondContact O-N 2.8Å; Q44-F291 HydrophobicContact CB-CE2 4.4Å; Q44-F291 HydrophobicContact CB-CZ 4.29Å; Q44-F291 HydrophobicContact CG-CD1 4.08Å; Q44-F291 HydrophobicContact CG-CE1 3.76Å; Q44-F291 HydrophobicContact CG-CE2 4.41Å; Q44-F291 HydrophobicContact CG-CZ 3.96Å
45M86.3Confident91.3Very high35 Ų3562.6 Ų62.617%0.17232%0.32CS..  trans-134.2136.5179.253.4179.467.700110.3A43 V274 A287 G289 F291A43-M45 PolarHBondContact O-N 2.89Å; M45-V274 HydrophobicContact CE-CB 4.29Å; M45-V274 HydrophobicContact CE-CG1 3.47Å; M45-V274 VanDerWaalsContact CE-CG1 3.47Å; M45-V274 HydrophobicContact CE-CG2 3.73Å; M45-V274 HydrophobicContact CG-CG2 4.3Å; M45-V274 HydrophobicContact SD-CG1 4.28Å; M45-V274 HydrophobicContact SD-CG2 4.15Å; M45-A287 HydrophobicContact CE-CB 4.14Å; M45-G289 WeakPolarHBondContact SD-CA 3.49Å; M45-G289 PolarHBondContact SD-N 2.92Å; M45-F291 HydrophobicContact CG-CE2 4.3Å
46E86.9Confident91.3Very high60 Ų6060.9 Ų60.928%0.2832%0.321SS..  trans-139.1136.8-178.2-166.6-157.4126.100109.1H67 S69 L71E46-H67 PolarHBondContact O-NE2 2.79Å; E46-S69 PolarHBondContact OE1-OG 3.38Å; E46-L71 WeakPolarHBondContact OE1-CB 3.4Å; E46-L71 WeakPolarHBondContact OE1-CD1 3.09Å; E46-L71 WeakPolarHBondContact OE1-CG 3.39Å
47G89.8Confident91.3Very high17 Ų1759.3 Ų59.318%0.17532%0.317CS..EExtended strand (participates in β ladder)trans71.3-147179.900000112.3M68 C301 G302 F303G47-M68 CarbonylContact C-O 3.57Å; G47-M68 WeakPolarHBondContact CA-O 3.39Å; G47-C301 PolarHBondContact N-O 3.15Å; G47-C301 VanDerWaalsContact N-O 3.16Å; G47-G302 CarbonylContact O-C 3.53Å; G47-G302 WeakPolarHBondContact O-CA 3.48Å; G47-F303 PolarHBondContact O-N 3.44Å
48V92.1Very high91.1Very high35 Ų3564.3 Ų64.321%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-117.4121.9-172.8-174.10000109.8M68 F303V48-M68 HydrophobicContact CB-CB 4.29Å; V48-M68 HydrophobicContact CB-CE 3.92Å; V48-M68 HydrophobicContact CG1-CE 3.76Å; V48-M68 PolarHBondContact N-O 3.23Å; V48-M68 PolarHBondContact O-N 3.41Å; V48-F303 WeakPolarHBondContact CA-O 3.49Å; V48-F303 HydrophobicContact CB-CE1 4.17Å; V48-F303 HydrophobicContact CB-CE2 4.15Å; V48-F303 HydrophobicContact CB-CZ 3.87Å; V48-F303 HydrophobicContact CG1-CD2 3.95Å; V48-F303 HydrophobicContact CG1-CE1 4.18Å; V48-F303 HydrophobicContact CG1-CE2 3.28Å; V48-F303 HydrophobicContact CG1-CZ 3.41Å; V48-F303 VanDerWaalsContact CG1-CZ 3.41Å; V48-F303 HydrophobicContact CG2-CD1 3.99Å; V48-F303 HydrophobicContact CG2-CE1 3.23Å; V48-F303 HydrophobicContact CG2-CE2 4.01Å; V48-F303 HydrophobicContact CG2-CZ 3.23Å
49K92.8Very high91.1Very high92 Ų9261.8 Ų61.840%0.434%0.341SS..EExtended strand (participates in β ladder)trans-118.4109.4175.8-170-177.7-178.5178.70111V51 T65 I66 F303 S304 I305K49-V51 HydrophobicContact CD-CG2 4.19Å; K49-V51 HydrophobicContact CG-CG2 4.03Å; K49-T65 HydrophobicContact CD-CG2 4.36Å; K49-T65 HydrophobicContact CG-CG2 4.06Å; K49-I66 CarbonylContact C-O 3.52Å; K49-I66 WeakPolarHBondContact CA-O 3.25Å; K49-F303 PolarHBondContact N-O 2.95Å; K49-S304 CarbonylContact O-C 3.59Å; K49-S304 WeakPolarHBondContact O-CA 3.17Å; K49-S304 WeakPolarHBondContact O-CB 3.35Å; K49-S304 PolarHBondContact O-OG 2.93Å; K49-I305 PolarHBondContact O-N 2.66Å
50L94.1Very high91.1Very high57 Ų5761.5 Ų61.530%0.29834%0.336SS..EExtended strand (participates in β ladder)trans-97.6120.6171177.863.8000109.1V52 T65 I66 I305 V307L50-V52 HydrophobicContact CD1-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG2 4.23Å; L50-T65 CarbonylContact O-C 3.5Å; L50-T65 WeakPolarHBondContact O-CA 3.24Å; L50-I66 HydrophobicContact CB-CB 4.4Å; L50-I66 HydrophobicContact CD2-CD1 4.4Å; L50-I66 PolarHBondContact N-O 2.81Å; L50-I66 PolarHBondContact O-N 3.45Å; L50-I305 CarbonylContact C-O 3.55Å; L50-I305 WeakPolarHBondContact CA-O 3.22Å; L50-I305 HydrophobicContact CD1-CB 3.94Å; L50-I305 HydrophobicContact CD1-CG2 4.04Å; L50-V307 HydrophobicContact CD1-CG2 4.44Å
51V94.6Very high91.1Very high20 Ų2065.2 Ų65.212%0.12135%0.354CS..EExtended strand (participates in β ladder)trans-114.9123.3174.4-175.20000108.1K49 H64 T65 I305 T306 V307K49-V51 HydrophobicContact CD-CG2 4.19Å; K49-V51 HydrophobicContact CG-CG2 4.03Å; V51-H64 CarbonylContact C-O 3.51Å; V51-H64 WeakPolarHBondContact CA-O 3.1Å; V51-T65 HydrophobicContact CG2-CG2 4.14Å; V51-I305 PolarHBondContact N-O 3.38Å; V51-T306 HydrophobicContact CB-CG2 4.17Å; V51-T306 HydrophobicContact CG1-CG2 4.32Å; V51-T306 CarbonylContact O-C 3.42Å; V51-T306 VanDerWaalsContact O-CA 3.31Å; V51-T306 WeakPolarHBondContact O-CA 3.49Å; V51-V307 PolarHBondContact O-N 3.21Å
52V94.4Very high91.3Very high56 Ų5665.1 Ų65.134%0.33936%0.355SS..EExtended strand (participates in β ladder)trans-114.7103.1172.9-176.80000107.4L50 A63 H64 V307L50-V52 HydrophobicContact CD1-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG2 4.23Å; V52-A63 CarbonylContact O-C 3.6Å; V52-A63 VanDerWaalsContact O-CA 3.31Å; V52-A63 WeakPolarHBondContact O-CA 3.45Å; V52-H64 HydrophobicContact CB-CB 4.36Å; V52-H64 PolarHBondContact N-O 3.44Å; V52-H64 PolarHBondContact O-N 2.99Å; V52-V307 CarbonylContact C-O 3.59Å; V52-V307 WeakPolarHBondContact CA-O 3.41Å
53N93.7Very high91.4Very high46 Ų4665.1 Ų65.125%0.24636%0.356CS..EExtended strand (participates in β ladder)trans-92.2132.4174.8-167.48.3000109.5V62 A63 V307N53-V62 PolarHBondContact OD1-O 2.84Å; N53-A63 HydrophobicContact CB-CB 4.21Å; N53-V307 PolarHBondContact N-O 3.13Å
54K92.8Very high91.7Very high127 Ų12765 Ų6555%0.55234%0.344SS*.EExtended strand (participates in β ladder)trans-129.7114.5176.7-170.9173.2-177178.70109.3L56 V62K54-L56 HydrophobicContact CD-CD2 3.82Å; K54-L56 HydrophobicContact CG-CD2 3.92Å; K54-L56 PolarHBondContact O-N 3.3Å; K54-V62 PolarHBondContact N-O 2.94Å; K54-V62 PolarHBondContact O-N 3.26Å
55V90.9Very high92Very high91 Ų9158 Ų5855%0.55231%0.312SS*.EExtended strand (participates in β ladder)trans-80.6113.7171-175.70000107.9S57V55-S57 WeakPolarHBondContact CG1-O 3.47Å
56L90.6Very high92.4Very high96 Ų9659.7 Ų59.750%0.50332%0.321SS..  trans-91.5-32.4-179-65.2177.6000111.5K54 F60 V62K54-L56 HydrophobicContact CD-CD2 3.82Å; K54-L56 HydrophobicContact CG-CD2 3.92Å; K54-L56 PolarHBondContact O-N 3.3Å; L56-F60 HydrophobicContact CB-CD1 4.13Å; L56-F60 HydrophobicContact CD1-CD1 3.74Å; L56-F60 HydrophobicContact CD1-CE1 3.78Å; L56-F60 HydrophobicContact CG-CD1 4.44Å; L56-F60 PolarHBondContact N-O 2.76Å; L56-V62 HydrophobicContact CD1-CB 4.49Å; L56-V62 HydrophobicContact CD1-CG2 3.76Å
57S91.4Very high92.6Very high53 Ų5359.6 Ų59.637%0.37132%0.321SS..SBendtrans-149.8175.4171.672.70000110.1V55 H59 F60V55-S57 WeakPolarHBondContact CG1-O 3.47Å; S57-H59 PolarHBondContact O-N 2.86Å; S57-H59 VanDerWaalsContact O-N 3.16Å; S57-H59 PolarHBondContact OG-N 2.77Å; S57-F60 PolarHBondContact N-O 2.88Å; S57-F60 VanDerWaalsContact N-O 3.13Å; S57-F60 PolarHBondContact O-N 3.49Å; S57-F60 WeakPolarHBondContact OG-CB 3.34Å; S57-F60 PolarHBondContact OG-N 2.8Å
58S86.9Confident92.6Very high107 Ų10763.1 Ų63.175%0.74833%0.334SS*.SBendtrans-56.3-26.4171.643.10000113.5
59H90.3Very high92.2Very high57 Ų5762.7 Ų62.726%0.26433%0.332SS..SBendtrans-104.4-18.1-174.3-57.590000113S57 Y82 A83 D85S57-H59 PolarHBondContact O-N 2.86Å; S57-H59 VanDerWaalsContact O-N 3.16Å; S57-H59 PolarHBondContact OG-N 2.77Å; H59-Y82 HydrophobicContact CB-CD2 4.17Å; H59-Y82 HydrophobicContact CB-CE2 3.79Å; H59-Y82 CarbonylContact O-C 3.56Å; H59-Y82 VanDerWaalsContact O-CA 3.24Å; H59-Y82 WeakPolarHBondContact O-CA 3.2Å; H59-Y82 WeakPolarHBondContact O-CD2 3.13Å; H59-A83 WeakPolarHBondContact CA-O 3.36Å; H59-A83 VanDerWaalsContact CB-O 3.27Å; H59-A83 WeakPolarHBondContact CB-O 3.4Å; H59-A83 PolarHBondContact CD2-O 3.16Å; H59-A83 PolarHBondContact O-N 3.35Å; H59-D85 IonicContact CD2-OD1 3.14Å; H59-D85 IonicContact CE1-OD1 2.86Å; H59-D85 IonicContact NE2-OD1 3.92Å; H59-D85 PolarHBondContact NE2-OD1 3.18Å
60F92.6Very high91.3Very high77 Ų7763 Ų6334%0.33835%0.352SS..EExtended strand (participates in β ladder)trans-131122-169.7-166.5-112.9000112L56 S57 V62 A80 Y82L56-F60 HydrophobicContact CB-CD1 4.13Å; L56-F60 HydrophobicContact CD1-CD1 3.74Å; L56-F60 HydrophobicContact CD1-CE1 3.78Å; L56-F60 HydrophobicContact CG-CD1 4.44Å; L56-F60 PolarHBondContact N-O 2.76Å; S57-F60 PolarHBondContact N-O 2.88Å; S57-F60 VanDerWaalsContact N-O 3.13Å; S57-F60 PolarHBondContact O-N 3.49Å; S57-F60 WeakPolarHBondContact OG-CB 3.34Å; S57-F60 PolarHBondContact OG-N 2.8Å; F60-V62 HydrophobicContact CD1-CG2 4.05Å; F60-V62 HydrophobicContact CE1-CG2 3.33Å; F60-V62 HydrophobicContact CZ-CG2 3.73Å; F60-A80 HydrophobicContact CE2-CB 4.43Å; F60-A80 HydrophobicContact CZ-CB 4.31Å; F60-Y82 HydrophobicContact CD2-CD2 4.49Å
61Q93.6Very high90.4Very high79 Ų7966.5 Ų66.537%0.36937%0.37SS..EExtended strand (participates in β ladder)trans-125.5141.6177.361.9-178.4-24.500110.2A81Q61-A81 HydrophobicContact CG-CB 3.7Å; Q61-A81 PolarHBondContact N-O 3.18Å; Q61-A81 PolarHBondContact O-N 2.82Å
62V95.4Very high89.4Confident19 Ų1967.4 Ų67.412%0.11538%0.384CS..EExtended strand (participates in β ladder)trans-128.8126.9177.3-179.30000108.2N53 K54 L56 F60 L78 H79N53-V62 PolarHBondContact OD1-O 2.84Å; K54-V62 PolarHBondContact N-O 2.94Å; K54-V62 PolarHBondContact O-N 3.26Å; L56-V62 HydrophobicContact CD1-CB 4.49Å; L56-V62 HydrophobicContact CD1-CG2 3.76Å; F60-V62 HydrophobicContact CD1-CG2 4.05Å; F60-V62 HydrophobicContact CE1-CG2 3.33Å; F60-V62 HydrophobicContact CZ-CG2 3.73Å; V62-L78 HydrophobicContact CG1-CD1 3.71Å; V62-H79 CarbonylContact C-O 3.59Å; V62-H79 WeakPolarHBondContact CA-O 3.39Å
63A94.9Very high88.5Confident9 Ų972.5 Ų72.57%0.07441%0.408CS..EExtended strand (participates in β ladder)trans-120.3133.7175.300000111.3V52 N53 H79V52-A63 CarbonylContact O-C 3.6Å; V52-A63 VanDerWaalsContact O-CA 3.31Å; V52-A63 WeakPolarHBondContact O-CA 3.45Å; N53-A63 HydrophobicContact CB-CB 4.21Å; A63-H79 HydrophobicContact CB-CB 4.16Å; A63-H79 PolarHBondContact N-O 2.92Å; A63-H79 PolarHBondContact O-N 2.84Å
64H94.9Very high88.1Confident67 Ų6774.7 Ų74.731%0.3143%0.425SS..EExtended strand (participates in β ladder)trans-104.2116.2176.2-62-85.1000108.2V51 V52 Y76V51-H64 CarbonylContact C-O 3.51Å; V51-H64 WeakPolarHBondContact CA-O 3.1Å; V52-H64 HydrophobicContact CB-CB 4.36Å; V52-H64 PolarHBondContact N-O 3.44Å; V52-H64 PolarHBondContact O-N 2.99Å; H64-Y76 HydrophobicContact CB-CE2 4.05Å; H64-Y76 PolarHBondContact CE1-OH 2.93Å; H64-Y76 AromaticContact ND1-CE2 3.91Å; H64-Y76 AromaticContact ND1-CZ 3.7Å; H64-Y76 PolarHBondContact ND1-OH 2.8Å
65T93.9Very high87.8Confident19 Ų1969.5 Ų69.512%0.11741%0.407CS..EExtended strand (participates in β ladder)trans-112.1119.4178.2-640000109.6K49 L50 V51 Y76 H77K49-T65 HydrophobicContact CD-CG2 4.36Å; K49-T65 HydrophobicContact CG-CG2 4.06Å; L50-T65 CarbonylContact O-C 3.5Å; L50-T65 WeakPolarHBondContact O-CA 3.24Å; V51-T65 HydrophobicContact CG2-CG2 4.14Å; T65-Y76 WeakPolarHBondContact O-CA 3.47Å; T65-H77 PolarHBondContact N-O 2.99Å; T65-H77 PolarHBondContact O-N 3.11Å
66I93.6Very high87.9Confident69 Ų6969.3 Ų69.335%0.35440%0.397SS..EExtended strand (participates in β ladder)trans-106.4118171.2-58170.1000106.8K49 L50 M68 Y76K49-I66 CarbonylContact C-O 3.52Å; K49-I66 WeakPolarHBondContact CA-O 3.25Å; L50-I66 HydrophobicContact CB-CB 4.4Å; L50-I66 HydrophobicContact CD2-CD1 4.4Å; L50-I66 PolarHBondContact N-O 2.81Å; L50-I66 PolarHBondContact O-N 3.45Å; I66-M68 HydrophobicContact CG2-CG 4.29Å; I66-Y76 HydrophobicContact CG1-CD2 3.94Å
67H90.6Very high88Confident59 Ų5967.5 Ų67.527%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-111.7126.8174.3-174.9-115.8000109.7E46 P74 G75E46-H67 PolarHBondContact O-NE2 2.79Å; H67-P74 CarbonylContact O-C 3.6Å; H67-P74 VanDerWaalsContact O-CA 3.27Å; H67-P74 WeakPolarHBondContact O-CA 3.21Å; H67-G75 PolarHBondContact N-O 3.47Å; H67-G75 PolarHBondContact O-N 3.49Å
68M89.9Confident88.1Confident91 Ų9168.2 Ų68.245%0.44839%0.385SS..EExtended strand (participates in β ladder)trans-121.3110.3175.5-64176.2-76.100107.4G47 V48 I66 P74G47-M68 CarbonylContact C-O 3.57Å; G47-M68 WeakPolarHBondContact CA-O 3.39Å; V48-M68 HydrophobicContact CB-CB 4.29Å; V48-M68 HydrophobicContact CB-CE 3.92Å; V48-M68 HydrophobicContact CG1-CE 3.76Å; V48-M68 PolarHBondContact N-O 3.23Å; V48-M68 PolarHBondContact O-N 3.41Å; I66-M68 HydrophobicContact CG2-CG 4.29Å; M68-P74 HydrophobicContact CG-CB 4.42Å
69S83.8Confident88.5Confident26 Ų2665.7 Ų65.718%0.18236%0.361CS..  trans-105.3154.4175.8168.40000110.5E46 L71 G72E46-S69 PolarHBondContact OE1-OG 3.38Å; S69-L71 PolarHBondContact OG-N 3.16Å; S69-G72 PolarHBondContact OG-N 2.67Å
70A74.4Confident88.8Confident98 Ų9864.5 Ų64.581%0.8136%0.362SS*.SBendtrans-85.1-20.1170.300000112.4
71L74.7Confident88.8Confident130 Ų13061.1 Ų61.168%0.68135%0.348SS*.SBendtrans-105.3-27-178.6-61.2179.1000112.9E46 S69E46-L71 WeakPolarHBondContact OE1-CB 3.4Å; E46-L71 WeakPolarHBondContact OE1-CD1 3.09Å; E46-L71 WeakPolarHBondContact OE1-CG 3.39Å; S69-L71 PolarHBondContact OG-N 3.16Å
72G73.7Confident88.8Confident40 Ų4062.1 Ų62.141%0.41235%0.349SS..SBendtrans-110.5171.3-179.300000113.6S69S69-G72 PolarHBondContact OG-N 2.67Å
73L77Confident88.6Confident162 Ų16262.5 Ų62.585%0.84835%0.354SS*.  trans-70.6137.4172.1-70.4168.5000110G75L73-G75 PolarHBondContact O-N 2.82Å
74P83.3Confident88.3Confident93 Ų9362.5 Ų62.560%0.60436%0.355SS*.  trans-63.3137.3170.728.2-33.3000109.4H67 M68H67-P74 CarbonylContact O-C 3.6Å; H67-P74 VanDerWaalsContact O-CA 3.27Å; H67-P74 WeakPolarHBondContact O-CA 3.21Å; M68-P74 HydrophobicContact CG-CB 4.42Å
75G87.3Confident87.8Confident17 Ų1765.2 Ų65.218%0.17537%0.372CS..EExtended strand (participates in β ladder)trans-133.7143.5-175.100000111.3H67 L73H67-G75 PolarHBondContact N-O 3.47Å; H67-G75 PolarHBondContact O-N 3.49Å; L73-G75 PolarHBondContact O-N 2.82Å
76Y92.6Very high87Confident88 Ų8872.7 Ų72.735%0.34540%0.398SS..EExtended strand (participates in β ladder)trans-109.6130.2167.8167.9-97.9000109H64 T65 I66 L78 D102 S103H64-Y76 HydrophobicContact CB-CE2 4.05Å; H64-Y76 PolarHBondContact CE1-OH 2.93Å; H64-Y76 AromaticContact ND1-CE2 3.91Å; H64-Y76 AromaticContact ND1-CZ 3.7Å; H64-Y76 PolarHBondContact ND1-OH 2.8Å; T65-Y76 WeakPolarHBondContact O-CA 3.47Å; I66-Y76 HydrophobicContact CG1-CD2 3.94Å; Y76-L78 HydrophobicContact CE1-CB 4.03Å; Y76-D102 CarbonylContact O-C 3.57Å; Y76-D102 WeakPolarHBondContact O-CA 3.43Å; Y76-S103 PolarHBondContact O-N 2.88Å
77H93.1Very high86.2Confident57 Ų5775.2 Ų75.226%0.26441%0.408SS..EExtended strand (participates in β ladder)trans-119126.3177.1-67.4-104000109.5T65 D100 M101 D102T65-H77 PolarHBondContact N-O 2.99Å; T65-H77 PolarHBondContact O-N 3.11Å; H77-D100 IonicContact CG-OD1 2.66Å; H77-D100 IonicContact ND1-OD1 3.87Å; H77-D100 PolarHBondContact ND1-OD1 2.79Å; H77-M101 WeakPolarHBondContact CA-O 3.11Å; H77-D102 WeakPolarHBondContact CE1-CB 3.16Å
78L94.4Very high85.1Confident68 Ų6876.7 Ų76.736%0.35642%0.418SS..EExtended strand (participates in β ladder)trans-98.7115.3169.8177.564.9000108.5V62 Y76 D100 M101V62-L78 HydrophobicContact CG1-CD1 3.71Å; Y76-L78 HydrophobicContact CE1-CB 4.03Å; L78-D100 CarbonylContact O-C 3.59Å; L78-D100 WeakPolarHBondContact O-CA 3.5Å; L78-M101 PolarHBondContact N-O 2.8Å; L78-M101 PolarHBondContact O-N 2.82Å
79H95Very high83.8Confident54 Ų5474.2 Ų74.225%0.2541%0.409CS..EExtended strand (participates in β ladder)trans-104.8129.5174.8-173.685.8000109.6V62 A63 V98 G99 D100V62-H79 CarbonylContact C-O 3.59Å; V62-H79 WeakPolarHBondContact CA-O 3.39Å; A63-H79 HydrophobicContact CB-CB 4.16Å; A63-H79 PolarHBondContact N-O 2.92Å; A63-H79 PolarHBondContact O-N 2.84Å; H79-V98 WeakPolarHBondContact CE1-CG1 3.21Å; H79-G99 CarbonylContact C-O 3.57Å; H79-G99 WeakPolarHBondContact CA-O 3.25Å; H79-D100 IonicContact ND1-OD2 2.76Å
80A95.1Very high82.8Confident33 Ų3378.8 Ų78.827%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-129.8131.6173.100000108.8F60 V98 G99F60-A80 HydrophobicContact CE2-CB 4.43Å; F60-A80 HydrophobicContact CZ-CB 4.31Å; A80-V98 WeakPolarHBondContact O-CA 3.39Å; A80-G99 PolarHBondContact N-O 2.83Å; A80-G99 PolarHBondContact O-N 3.22Å
81A94.4Very high82.2Confident5 Ų579.9 Ų79.94%0.04144%0.435CS..EExtended strand (participates in β ladder)trans-131.4134.3176.100000110.7Q61 V97 V98Q61-A81 HydrophobicContact CG-CB 3.7Å; Q61-A81 PolarHBondContact N-O 3.18Å; Q61-A81 PolarHBondContact O-N 2.82Å; A81-V97 CarbonylContact C-O 3.53Å; A81-V97 WeakPolarHBondContact CA-O 3.41Å; A81-V98 HydrophobicContact CB-CG1 4.42Å; A81-V98 HydrophobicContact CB-CG2 3.99Å
82Y93.3Very high82.1Confident100 Ų10075 Ų7539%0.39241%0.409SS..EExtended strand (participates in β ladder)trans-114.3129172.8175.1-100.8000109H59 F60 P95 T96 V97H59-Y82 HydrophobicContact CB-CD2 4.17Å; H59-Y82 HydrophobicContact CB-CE2 3.79Å; H59-Y82 CarbonylContact O-C 3.56Å; H59-Y82 VanDerWaalsContact O-CA 3.24Å; H59-Y82 WeakPolarHBondContact O-CA 3.2Å; H59-Y82 WeakPolarHBondContact O-CD2 3.13Å; F60-Y82 HydrophobicContact CD2-CD2 4.49Å; Y82-P95 HydrophobicContact CE1-CG 4.45Å; Y82-T96 CarbonylContact O-C 3.57Å; Y82-T96 VanDerWaalsContact O-CA 3.32Å; Y82-T96 WeakPolarHBondContact O-CA 3.28Å; Y82-V97 PolarHBondContact N-O 2.82Å; Y82-V97 PolarHBondContact O-N 3.2Å
83A91.1Very high82.4Confident28 Ų2874.9 Ų74.923%0.23140%0.4CS..EExtended strand (participates in β ladder)trans-119131.3172.300000108.7H59 V93H59-A83 WeakPolarHBondContact CA-O 3.36Å; H59-A83 VanDerWaalsContact CB-O 3.27Å; H59-A83 WeakPolarHBondContact CB-O 3.4Å; H59-A83 PolarHBondContact CD2-O 3.16Å; H59-A83 PolarHBondContact O-N 3.35Å; A83-V93 HydrophobicContact CB-CB 4.31Å; A83-V93 HydrophobicContact CB-CG1 3.99Å
84G87.4Confident82.8Confident8 Ų867.2 Ų67.28%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-78.5-163.9179.400000114V93 P95G84-V93 WeakPolarHBondContact O-CG1 3.35Å; G84-P95 PolarHBondContact N-O 2.92Å
85D84.3Confident83.2Confident124 Ų12464.8 Ų64.866%0.66334%0.344SS*.EExtended strand (participates in β ladder)trans-93.6-21.1-176-67.2-54.2000114H59 Q87H59-D85 IonicContact CD2-OD1 3.14Å; H59-D85 IonicContact CE1-OD1 2.86Å; H59-D85 IonicContact NE2-OD1 3.92Å; H59-D85 PolarHBondContact NE2-OD1 3.18Å; D85-Q87 PolarHBondContact O-N 2.82Å
86W78.8Confident83.3Confident177 Ų17765.5 Ų65.567%0.6735%0.345SS*.EExtended strand (participates in β ladder)trans-84.2105.4-173-63.2-44.7000111.3V93 F94W86-V93 CarbonylContact O-C 3.53Å; W86-V93 WeakPolarHBondContact O-CA 3.38Å; W86-F94 HydrophobicContact CB-CB 4.45Å; W86-F94 WeakPolarHBondContact CB-O 3.4Å; W86-F94 PolarHBondContact N-O 2.87Å; W86-F94 PolarHBondContact O-N 3.26Å
87Q75.3Confident83.4Confident122 Ų12264.2 Ų64.257%0.5735%0.346SS*.EExtended strand (participates in β ladder)trans-104.9106177.1-167.9167.838.200110.3D85 S89 P90 V93D85-Q87 PolarHBondContact O-N 2.82Å; Q87-S89 WeakPolarHBondContact CG-O 3.43Å; Q87-P90 PolarHBondContact NE2-O 3.21Å; Q87-V93 HydrophobicContact CG-CG2 4.21Å
88L67.4Low83.5Confident90 Ų9063 Ų6347%0.47134%0.342SS..EExtended strand (participates in β ladder)trans-82-29173.3-108.785.5000112.2E92 F94 L114L88-E92 PolarHBondContact N-O 2.82Å; L88-F94 HydrophobicContact CB-CE2 4.42Å; L88-L114 HydrophobicContact CD1-CD2 3.43Å; L88-L114 VanDerWaalsContact CD1-CD2 3.43Å
89S64.1Low83.5Confident38 Ų3860.7 Ų60.727%0.26634%0.336SS..EExtended strand (participates in β ladder)trans-143.4152.1-175.7169.10000109Q87 T91 E92Q87-S89 WeakPolarHBondContact CG-O 3.43Å; S89-T91 PolarHBondContact O-N 3.45Å; S89-T91 PolarHBondContact OG-N 2.94Å; S89-T91 PolarHBondContact OG-OG1 2.78Å; S89-T91 VanDerWaalsContact OG-OG1 3.11Å; S89-E92 PolarHBondContact O-N 2.87Å
90P61.4Low83.5Confident123 Ų12360.1 Ų60.180%0.79933%0.334SS*.THydrogen-bonded Turntrans-50.3-25.8174-26.634000113.9Q87Q87-P90 PolarHBondContact NE2-O 3.21Å
91T63.3Low83.4Confident120 Ų12063.2 Ų63.274%0.73634%0.344SS*.THydrogen-bonded Turntrans-101-10.2-17756.50000114.7S89S89-T91 PolarHBondContact O-N 3.45Å; S89-T91 PolarHBondContact OG-N 2.94Å; S89-T91 PolarHBondContact OG-OG1 2.78Å; S89-T91 VanDerWaalsContact OG-OG1 3.11Å
92E71.6Confident83.2Confident29 Ų2964.4 Ų64.414%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-131.7114.8-170.4-62175.1158.800110.9L88 S89 F94 R120 R142L88-E92 PolarHBondContact N-O 2.82Å; S89-E92 PolarHBondContact O-N 2.87Å; E92-F94 HydrophobicContact CB-CE2 3.68Å; E92-F94 HydrophobicContact CB-CZ 4.06Å; E92-R120 IonicContact OE1-CZ 3.47Å; E92-R120 IonicContact OE1-NH1 3.29Å; E92-R120 PolarHBondContact OE1-NH1 3.12Å; E92-R120 IonicContact OE1-NH2 2.88Å; E92-R120 IonicContact OE2-CZ 3.44Å; E92-R120 IonicContact OE2-NH1 3.31Å; E92-R120 PolarHBondContact OE2-NH1 3.3Å; E92-R120 IonicContact OE2-NH2 3.87Å; E92-R120 PolarHBondContact OE2-NH2 3.43Å; E92-R142 IonicContact OE1-CZ 2.89Å; E92-R142 IonicContact OE1-NH1 3.62Å; E92-R142 PolarHBondContact OE1-NH1 3.23Å; E92-R142 IonicContact OE1-NH2 3.2Å; E92-R142 PolarHBondContact OE1-NH2 2.86Å; E92-R142 IonicContact OE2-NH1 3.59Å
93V81.3Confident82.9Confident36 Ų3663.8 Ų63.822%0.21836%0.36CS..EExtended strand (participates in β ladder)trans-115139.3177.9-175.20000108.6A83 G84 W86 Q87 T96A83-V93 HydrophobicContact CB-CB 4.31Å; A83-V93 HydrophobicContact CB-CG1 3.99Å; G84-V93 WeakPolarHBondContact O-CG1 3.35Å; W86-V93 CarbonylContact O-C 3.53Å; W86-V93 WeakPolarHBondContact O-CA 3.38Å; Q87-V93 HydrophobicContact CG-CG2 4.21Å; V93-T96 PolarHBondContact O-OG1 3.31Å
94F84.9Confident82.6Confident1 Ų165.4 Ų65.40%0.00437%0.37CS..EExtended strand (participates in β ladder)trans-132.2146.2-176.2-60.4-89.8000111W86 L88 E92 L112 L114 R120W86-F94 HydrophobicContact CB-CB 4.45Å; W86-F94 WeakPolarHBondContact CB-O 3.4Å; W86-F94 PolarHBondContact N-O 2.87Å; W86-F94 PolarHBondContact O-N 3.26Å; L88-F94 HydrophobicContact CB-CE2 4.42Å; E92-F94 HydrophobicContact CB-CE2 3.68Å; E92-F94 HydrophobicContact CB-CZ 4.06Å; F94-L112 HydrophobicContact CD1-CD2 4.19Å; F94-L112 HydrophobicContact CD1-CG 3.88Å; F94-L112 HydrophobicContact CE1-CD1 3.92Å; F94-L112 HydrophobicContact CE1-CD2 3.62Å; F94-L112 HydrophobicContact CE1-CG 3.5Å; F94-L112 VanDerWaalsContact CE1-CG 3.5Å; F94-L112 HydrophobicContact CZ-CD2 4.22Å; F94-L114 HydrophobicContact CB-CB 4.11Å; F94-L114 HydrophobicContact CD1-CB 3.97Å; F94-L114 HydrophobicContact CD2-CB 4.49Å; F94-L114 HydrophobicContact CE1-CB 4.5Å; F94-L114 HydrophobicContact CG-CB 3.95Å; F94-R120 HydrophobicContact CE1-CG 4.37Å; F94-R120 HydrophobicContact CZ-CG 4.33Å
95P90.3Very high82.4Confident42 Ų4266.1 Ų66.127%0.27338%0.377SS..EExtended strand (participates in β ladder)cis-65.3146.4-18.230.2-36.9000111.4Y82 G84 L112 I113Y82-P95 HydrophobicContact CE1-CG 4.45Å; G84-P95 PolarHBondContact N-O 2.92Å; P95-L112 CarbonylContact C-O 3.48Å; P95-L112 WeakPolarHBondContact CA-O 3.26Å; P95-I113 HydrophobicContact CB-CG2 4.01Å
96T91.2Very high82.7Confident32 Ų3261.2 Ų61.220%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-115.7126.2170.5-72.30000109.4Y82 V93 V98 L112Y82-T96 CarbonylContact O-C 3.57Å; Y82-T96 VanDerWaalsContact O-CA 3.32Å; Y82-T96 WeakPolarHBondContact O-CA 3.28Å; V93-T96 PolarHBondContact O-OG1 3.31Å; T96-V98 HydrophobicContact CG2-CG2 3.86Å; T96-L112 PolarHBondContact N-O 2.67Å; T96-L112 PolarHBondContact O-N 3.18Å
97V94.3Very high83.3Confident61 Ų6156 Ų5637%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-122.3126176.3-178.80000108A81 Y82 Q110 V111A81-V97 CarbonylContact C-O 3.53Å; A81-V97 WeakPolarHBondContact CA-O 3.41Å; Y82-V97 PolarHBondContact N-O 2.82Å; Y82-V97 PolarHBondContact O-N 3.2Å; V97-Q110 CarbonylContact C-O 3.51Å; V97-Q110 WeakPolarHBondContact CA-O 3.39Å; V97-V111 HydrophobicContact CG1-CG2 4.26Å; V97-V111 HydrophobicContact CG2-CG1 4.3Å; V97-V111 HydrophobicContact CG2-CG2 4.47Å
98V94.3Very high84.2Confident31 Ų3153.3 Ų53.319%0.18833%0.327CS..EExtended strand (participates in β ladder)trans-126.4131.2-179.9-177.20000108.1H79 A80 A81 T96 A109 Q110H79-V98 WeakPolarHBondContact CE1-CG1 3.21Å; A80-V98 WeakPolarHBondContact O-CA 3.39Å; A81-V98 HydrophobicContact CB-CG1 4.42Å; A81-V98 HydrophobicContact CB-CG2 3.99Å; T96-V98 HydrophobicContact CG2-CG2 3.86Å; V98-A109 CarbonylContact O-C 3.54Å; V98-A109 WeakPolarHBondContact O-CA 3.16Å; V98-Q110 HydrophobicContact CB-CB 4.42Å; V98-Q110 PolarHBondContact N-O 2.77Å; V98-Q110 PolarHBondContact O-N 2.81Å
99G95.1Very high85.5Confident21 Ų2150.1 Ų50.122%0.21631%0.314CS..EExtended strand (participates in β ladder)trans-129.7131.5173.400000110.3H79 A80 N108H79-G99 CarbonylContact C-O 3.57Å; H79-G99 WeakPolarHBondContact CA-O 3.25Å; A80-G99 PolarHBondContact N-O 2.83Å; A80-G99 PolarHBondContact O-N 3.22Å; G99-N108 CarbonylContact C-O 3.53Å; G99-N108 WeakPolarHBondContact CA-O 3.31Å
100D94.1Very high87Confident42 Ų4251.4 Ų51.423%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-121.2125169.5-172.1-95.5000108.7H77 L78 H79 L107 N108H77-D100 IonicContact CG-OD1 2.66Å; H77-D100 IonicContact ND1-OD1 3.87Å; H77-D100 PolarHBondContact ND1-OD1 2.79Å; L78-D100 CarbonylContact O-C 3.59Å; L78-D100 WeakPolarHBondContact O-CA 3.5Å; H79-D100 IonicContact ND1-OD2 2.76Å; D100-L107 CarbonylContact O-C 3.58Å; D100-L107 WeakPolarHBondContact O-CA 3.3Å; D100-N108 HydrophobicContact CB-CB 4.4Å; D100-N108 PolarHBondContact N-O 2.72Å; D100-N108 PolarHBondContact O-N 2.75Å
101M93Very high88.5Confident98 Ų9847.7 Ų47.748%0.48329%0.29SS..EExtended strand (participates in β ladder)trans-124126.8177.8-172.2175.4-179.500110H77 L78 S106 L107H77-M101 WeakPolarHBondContact CA-O 3.11Å; L78-M101 PolarHBondContact N-O 2.8Å; L78-M101 PolarHBondContact O-N 2.82Å; M101-S106 WeakPolarHBondContact CA-O 3.24Å; M101-L107 HydrophobicContact CB-CD1 4.16Å
102D90.7Very high89.9Confident29 Ų2943.8 Ų43.816%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-86.7162.7174.579.820.2000112.1Y76 H77 S104 G105 S106Y76-D102 CarbonylContact O-C 3.57Å; Y76-D102 WeakPolarHBondContact O-CA 3.43Å; H77-D102 WeakPolarHBondContact CE1-CB 3.16Å; D102-S104 PolarHBondContact O-N 3.26Å; D102-S104 VanDerWaalsContact OD1-C 3.29Å; D102-S104 VanDerWaalsContact OD1-CA 3.25Å; D102-S104 WeakPolarHBondContact OD1-CA 3.5Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.18Å; D102-S104 PolarHBondContact OD1-OG 3.25Å; D102-S104 PolarHBondContact OD2-OG 3.45Å; D102-G105 PolarHBondContact O-N 2.78Å; D102-G105 PolarHBondContact OD1-N 2.81Å; D102-S106 VanDerWaalsContact CG-CB 3.46Å; D102-S106 PolarHBondContact N-O 2.87Å; D102-S106 PolarHBondContact OD1-N 2.88Å; D102-S106 WeakPolarHBondContact OD2-CB 3.29Å; D102-S106 PolarHBondContact OD2-OG 2.8Å
103S87.2Confident90.9Very high87 Ų8745.7 Ų45.761%0.60828%0.275SS*.THydrogen-bonded Turntrans-65.5-13.4177.553.40000114.5Y76Y76-S103 PolarHBondContact O-N 2.88Å
104S85.1Confident91.3Very high62 Ų6246 Ų4643%0.43428%0.276SS..THydrogen-bonded Turntrans-91.4-7.5179.1790000113.2D102 S106D102-S104 PolarHBondContact O-N 3.26Å; D102-S104 VanDerWaalsContact OD1-C 3.29Å; D102-S104 VanDerWaalsContact OD1-CA 3.25Å; D102-S104 WeakPolarHBondContact OD1-CA 3.5Å; D102-S104 WeakPolarHBondContact OD1-CB 3.42Å; D102-S104 PolarHBondContact OD1-N 3.18Å; D102-S104 PolarHBondContact OD1-OG 3.25Å; D102-S104 PolarHBondContact OD2-OG 3.45Å; S104-S106 PolarHBondContact OG-OG 2.84Å
105G83.6Confident91.4Very high23 Ų2350.9 Ų50.924%0.23730%0.301CS..SBendtrans93.612.4-178.700000114.5D102 Q129D102-G105 PolarHBondContact O-N 2.78Å; D102-G105 PolarHBondContact OD1-N 2.81Å; G105-Q129 PolarHBondContact O-N 2.98Å
106S90.4Very high91.2Very high22 Ų2251.4 Ų51.415%0.15431%0.309CS..  trans-78.7126.7167.8-38.30000109.4M101 D102 S104 T127M101-S106 WeakPolarHBondContact CA-O 3.24Å; D102-S106 VanDerWaalsContact CG-CB 3.46Å; D102-S106 PolarHBondContact N-O 2.87Å; D102-S106 PolarHBondContact OD1-N 2.88Å; D102-S106 WeakPolarHBondContact OD2-CB 3.29Å; D102-S106 PolarHBondContact OD2-OG 2.8Å; S104-S106 PolarHBondContact OG-OG 2.84Å; S106-T127 VanDerWaalsContact CA-O 3.24Å; S106-T127 WeakPolarHBondContact CA-O 3.44Å; S106-T127 WeakPolarHBondContact CB-O 3.44Å
107L91.6Very high90.8Very high67 Ų6758 Ų5835%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-113.2133.2178175.570.4000109D100 M101 A109 Q126 T127D100-L107 CarbonylContact O-C 3.58Å; D100-L107 WeakPolarHBondContact O-CA 3.3Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; L107-A109 HydrophobicContact CG-CB 4.48Å; L107-Q126 CarbonylContact O-C 3.58Å; L107-Q126 WeakPolarHBondContact O-CA 3.27Å; L107-T127 WeakPolarHBondContact CB-OG1 3.24Å; L107-T127 PolarHBondContact N-O 3.04Å; L107-T127 PolarHBondContact N-OG1 3.25Å; L107-T127 PolarHBondContact O-N 2.85Å
108N94.1Very high90.4Very high66 Ų6659.8 Ų59.835%0.35334%0.338SS..EExtended strand (participates in β ladder)trans-115.2115.7164.2-170-37000108.3G99 D100 F125G99-N108 CarbonylContact C-O 3.53Å; G99-N108 WeakPolarHBondContact CA-O 3.31Å; D100-N108 HydrophobicContact CB-CB 4.4Å; D100-N108 PolarHBondContact N-O 2.72Å; D100-N108 PolarHBondContact O-N 2.75Å; N108-F125 CarbonylContact C-O 3.54Å; N108-F125 WeakPolarHBondContact CA-O 3.29Å
109A94.2Very high90.1Very high23 Ų2361.3 Ų61.319%0.1935%0.345CS..EExtended strand (participates in β ladder)trans-120128.9177.900000109.9V98 L107 V124 F125V98-A109 CarbonylContact O-C 3.54Å; V98-A109 WeakPolarHBondContact O-CA 3.16Å; L107-A109 HydrophobicContact CG-CB 4.48Å; A109-V124 CarbonylContact O-C 3.57Å; A109-V124 WeakPolarHBondContact O-CA 2.97Å; A109-F125 HydrophobicContact CB-CB 4.46Å; A109-F125 PolarHBondContact N-O 3.07Å; A109-F125 PolarHBondContact O-N 3.34Å
110Q94.7Very high89.9Confident64 Ų6461.2 Ų61.230%0.29934%0.338SS..EExtended strand (participates in β ladder)trans-122128.6174.7176.8178.9-100109.5V97 V98 K122 A123 V124V97-Q110 CarbonylContact C-O 3.51Å; V97-Q110 WeakPolarHBondContact CA-O 3.39Å; V98-Q110 HydrophobicContact CB-CB 4.42Å; V98-Q110 PolarHBondContact N-O 2.77Å; V98-Q110 PolarHBondContact O-N 2.81Å; Q110-K122 HydrophobicContact CG-CG 4.36Å; Q110-A123 CarbonylContact C-O 3.57Å; Q110-A123 WeakPolarHBondContact CA-O 3.33Å; Q110-V124 HydrophobicContact CB-CG2 4.37Å; Q110-V124 HydrophobicContact CG-CG2 4.09Å
111V94.2Very high89.9Confident45 Ų4560.4 Ų60.427%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-121.4122.2176.6179.80000107.8V97 I113 K122 A123V97-V111 HydrophobicContact CG1-CG2 4.26Å; V97-V111 HydrophobicContact CG2-CG1 4.3Å; V97-V111 HydrophobicContact CG2-CG2 4.47Å; V111-I113 HydrophobicContact CG1-CG2 4.01Å; V111-K122 CarbonylContact O-C 3.57Å; V111-K122 VanDerWaalsContact O-CA 3.25Å; V111-K122 WeakPolarHBondContact O-CA 3.49Å; V111-A123 PolarHBondContact N-O 3.47Å; V111-A123 PolarHBondContact O-N 2.86Å
112L92.6Very high89.9Confident38 Ų3858.7 Ų58.720%0.19933%0.327CS..EExtended strand (participates in β ladder)trans-119120.1177.3178.268.7000108.9F94 P95 T96 K122F94-L112 HydrophobicContact CD1-CD2 4.19Å; F94-L112 HydrophobicContact CD1-CG 3.88Å; F94-L112 HydrophobicContact CE1-CD1 3.92Å; F94-L112 HydrophobicContact CE1-CD2 3.62Å; F94-L112 HydrophobicContact CE1-CG 3.5Å; F94-L112 VanDerWaalsContact CE1-CG 3.5Å; F94-L112 HydrophobicContact CZ-CD2 4.22Å; P95-L112 CarbonylContact C-O 3.48Å; P95-L112 WeakPolarHBondContact CA-O 3.26Å; T96-L112 PolarHBondContact N-O 2.67Å; T96-L112 PolarHBondContact O-N 3.18Å; L112-K122 HydrophobicContact CD1-CB 3.86Å
113I91.8Very high90.1Very high69 Ų6958.1 Ų58.135%0.35433%0.326SS..EExtended strand (participates in β ladder)trans-130.3150.6-178.256.6166.9000110.9P95 V111 L115 R120 A121P95-I113 HydrophobicContact CB-CG2 4.01Å; V111-I113 HydrophobicContact CG1-CG2 4.01Å; I113-L115 HydrophobicContact CD1-CD1 3.55Å; I113-L115 HydrophobicContact CD1-CG 4.47Å; I113-L115 HydrophobicContact CG1-CD1 3.67Å; I113-R120 WeakPolarHBondContact O-CA 3.41Å; I113-A121 HydrophobicContact CD1-CB 4.37Å; I113-A121 HydrophobicContact CG1-CB 4Å; I113-A121 WeakPolarHBondContact CG1-O 3.47Å; I113-A121 PolarHBondContact N-O 2.95Å; I113-A121 PolarHBondContact O-N 2.86Å
114L90.4Very high90.4Very high44 Ų4455.2 Ų55.223%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-99.9111.9172.3-170.776.7000108.1L88 F94 A116 R120L88-L114 HydrophobicContact CD1-CD2 3.43Å; L88-L114 VanDerWaalsContact CD1-CD2 3.43Å; F94-L114 HydrophobicContact CB-CB 4.11Å; F94-L114 HydrophobicContact CD1-CB 3.97Å; F94-L114 HydrophobicContact CD2-CB 4.49Å; F94-L114 HydrophobicContact CE1-CB 4.5Å; F94-L114 HydrophobicContact CG-CB 3.95Å; L114-A116 VanDerWaalsContact CD1-O 3.24Å; L114-A116 WeakPolarHBondContact CD1-O 3.47Å; L114-A116 VanDerWaalsContact CG-O 3.27Å; L114-A116 WeakPolarHBondContact CG-O 3.31Å; L114-R120 HydrophobicContact CD1-CG 3.72Å
115L86.1Confident90.8Very high103 Ų10355.3 Ų55.354%0.53930%0.297SS..EExtended strand (participates in β ladder)trans-81.8-36179.4-83.673.9000111.4I113 L119 A121I113-L115 HydrophobicContact CD1-CD1 3.55Å; I113-L115 HydrophobicContact CD1-CG 4.47Å; I113-L115 HydrophobicContact CG1-CD1 3.67Å; L115-L119 HydrophobicContact CB-CD2 4.1Å; L115-L119 HydrophobicContact CB-CG 4.3Å; L115-L119 HydrophobicContact CD2-CD2 4.31Å; L115-L119 PolarHBondContact N-O 2.78Å; L115-A121 HydrophobicContact CD1-CB 3.28Å
116A86.4Confident91.2Very high53 Ų5358.1 Ų58.144%0.43830%0.304SS..EExtended strand (participates in β ladder)trans-148.6168.3175.500000109L114 R118 L119L114-A116 VanDerWaalsContact CD1-O 3.24Å; L114-A116 WeakPolarHBondContact CD1-O 3.47Å; L114-A116 VanDerWaalsContact CG-O 3.27Å; L114-A116 WeakPolarHBondContact CG-O 3.31Å; A116-R118 PolarHBondContact O-N 2.82Å; A116-L119 HydrophobicContact CB-CB 4.05Å; A116-L119 PolarHBondContact N-O 2.62Å; A116-L119 PolarHBondContact O-N 3.02Å; A116-L119 VanDerWaalsContact O-O 3.08Å
117E82.8Confident91.3Very high170 Ų17057.8 Ų57.879%0.79430%0.301SS*.THydrogen-bonded Turntrans-49.5-28.6-176.5-63.6-178.2173.200114.4
118R85.5Confident91.1Very high98 Ų9859.8 Ų59.837%0.3731%0.309SS..THydrogen-bonded Turntrans-118.3-5.2-179.5-64.5-179.3179.4-92.29.1114.7A116 Y141 R142 D144A116-R118 PolarHBondContact O-N 2.82Å; R118-Y141 HydrophobicContact CB-CD2 4.47Å; R118-Y141 HydrophobicContact CB-CE2 4.03Å; R118-Y141 WeakPolarHBondContact O-CA 3.22Å; R118-R142 WeakPolarHBondContact CB-O 3.46Å; R118-R142 PolarHBondContact NH1-O 3.5Å; R118-R142 PolarHBondContact O-N 2.97Å; R118-D144 IonicContact CZ-OD1 2.85Å; R118-D144 IonicContact NH1-OD1 2.82Å; R118-D144 PolarHBondContact NH1-OD1 2.82Å; R118-D144 IonicContact NH2-OD1 3.1Å; R118-D144 PolarHBondContact NH2-OD1 3.18Å; R118-D144 IonicContact NH2-OD2 3.81Å
119L89.3Confident90.6Very high64 Ų6463.1 Ų63.134%0.33532%0.322SS..EExtended strand (participates in β ladder)trans-114.3121.2-175.6-175.967.6000110.5L115 A116 Y141L115-L119 HydrophobicContact CB-CD2 4.1Å; L115-L119 HydrophobicContact CB-CG 4.3Å; L115-L119 HydrophobicContact CD2-CD2 4.31Å; L115-L119 PolarHBondContact N-O 2.78Å; A116-L119 HydrophobicContact CB-CB 4.05Å; A116-L119 PolarHBondContact N-O 2.62Å; A116-L119 PolarHBondContact O-N 3.02Å; A116-L119 VanDerWaalsContact O-O 3.08Å; L119-Y141 HydrophobicContact CD1-CD2 4.44Å
120R90.4Very high89.8Confident19 Ų1966.8 Ų66.87%0.07235%0.353CS..EExtended strand (participates in β ladder)trans-114.6142.9179.5-59.6146.9178.6-126.3-4.7108.6E92 F94 I113 L114 G139 E140 R142E92-R120 IonicContact OE1-CZ 3.47Å; E92-R120 IonicContact OE1-NH1 3.29Å; E92-R120 PolarHBondContact OE1-NH1 3.12Å; E92-R120 IonicContact OE1-NH2 2.88Å; E92-R120 IonicContact OE2-CZ 3.44Å; E92-R120 IonicContact OE2-NH1 3.31Å; E92-R120 PolarHBondContact OE2-NH1 3.3Å; E92-R120 IonicContact OE2-NH2 3.87Å; E92-R120 PolarHBondContact OE2-NH2 3.43Å; F94-R120 HydrophobicContact CE1-CG 4.37Å; F94-R120 HydrophobicContact CZ-CG 4.33Å; I113-R120 WeakPolarHBondContact O-CA 3.41Å; L114-R120 HydrophobicContact CD1-CG 3.72Å; R120-G139 CarbonylContact O-C 3.59Å; R120-G139 WeakPolarHBondContact O-CA 3.35Å; R120-E140 HydrophobicContact CB-CB 4.32Å; R120-E140 WeakPolarHBondContact CD-OE2 3.43Å; R120-E140 PolarHBondContact N-O 3.08Å; R120-E140 IonicContact NE-OE2 3.25Å; R120-E140 IonicContact NH1-OE2 2.67Å; R120-E140 PolarHBondContact NH1-OE2 3.48Å; R120-E140 PolarHBondContact O-N 3.02Å; R120-R142 VanDerWaalsContact CZ-NH1 3.32Å
121A93.4Very high89.3Confident25 Ų2571.5 Ų71.521%0.20737%0.372CS..EExtended strand (participates in β ladder)trans-122138.4166.300000110.1I113 L115 D138I113-A121 HydrophobicContact CD1-CB 4.37Å; I113-A121 HydrophobicContact CG1-CB 4Å; I113-A121 WeakPolarHBondContact CG1-O 3.47Å; I113-A121 PolarHBondContact N-O 2.95Å; I113-A121 PolarHBondContact O-N 2.86Å; L115-A121 HydrophobicContact CD1-CB 3.28Å; A121-D138 CarbonylContact C-O 3.57Å; A121-D138 VanDerWaalsContact CA-O 3.25Å; A121-D138 WeakPolarHBondContact CA-O 3.47Å
122K93.6Very high88.8Confident61 Ų6176.2 Ų76.227%0.26539%0.389SS..EExtended strand (participates in β ladder)trans-124.4131.1173.3172-177.4161.1-172.30108.2Q110 V111 L112 V124 F137 D138Q110-K122 HydrophobicContact CG-CG 4.36Å; V111-K122 CarbonylContact O-C 3.57Å; V111-K122 VanDerWaalsContact O-CA 3.25Å; V111-K122 WeakPolarHBondContact O-CA 3.49Å; L112-K122 HydrophobicContact CD1-CB 3.86Å; K122-V124 HydrophobicContact CD-CG2 4.43Å; K122-V124 VanDerWaalsContact CE-CG2 3.45Å; K122-V124 HydrophobicContact CG-CG2 4.14Å; K122-F137 CarbonylContact O-C 3.56Å; K122-D138 HydrophobicContact CB-CB 4.13Å; K122-D138 WeakPolarHBondContact CD-OD2 3.39Å; K122-D138 PolarHBondContact N-O 2.77Å; K122-D138 PolarHBondContact O-N 2.81Å
123A94.4Very high88.4Confident18 Ų1878.3 Ų78.315%0.14940%0.4CS..EExtended strand (participates in β ladder)trans-118.1132.1172.700000108.5Q110 V111 F125 Q136 F137Q110-A123 CarbonylContact C-O 3.57Å; Q110-A123 WeakPolarHBondContact CA-O 3.33Å; V111-A123 PolarHBondContact N-O 3.47Å; V111-A123 PolarHBondContact O-N 2.86Å; A123-F125 HydrophobicContact CB-CE2 3.85Å; A123-F125 HydrophobicContact CB-CZ 4.26Å; A123-Q136 CarbonylContact C-O 3.49Å; A123-Q136 WeakPolarHBondContact CA-O 3.29Å; A123-F137 HydrophobicContact CB-CD1 3.89Å; A123-F137 HydrophobicContact CB-CE1 4.04Å
124V94.1Very high88.2Confident26 Ų2677.3 Ų77.316%0.15840%0.398CS..EExtended strand (participates in β ladder)trans-124.7129.2176.8-176.20000108.5A109 Q110 K122 W135 Q136A109-V124 CarbonylContact O-C 3.57Å; A109-V124 WeakPolarHBondContact O-CA 2.97Å; Q110-V124 HydrophobicContact CB-CG2 4.37Å; Q110-V124 HydrophobicContact CG-CG2 4.09Å; K122-V124 HydrophobicContact CD-CG2 4.43Å; K122-V124 VanDerWaalsContact CE-CG2 3.45Å; K122-V124 HydrophobicContact CG-CG2 4.14Å; V124-W135 CarbonylContact O-C 3.56Å; V124-W135 WeakPolarHBondContact O-CA 3.43Å; V124-Q136 HydrophobicContact CB-CB 4.38Å; V124-Q136 PolarHBondContact N-O 2.81Å; V124-Q136 PolarHBondContact O-N 2.88Å
125F93.4Very high88.2Confident63 Ų6380.4 Ų80.428%0.27641%0.406SS..EExtended strand (participates in β ladder)trans-122.6128.1177.1-59-82.5000109.1N108 A109 A123 W135 F137N108-F125 CarbonylContact C-O 3.54Å; N108-F125 WeakPolarHBondContact CA-O 3.29Å; A109-F125 HydrophobicContact CB-CB 4.46Å; A109-F125 PolarHBondContact N-O 3.07Å; A109-F125 PolarHBondContact O-N 3.34Å; A123-F125 HydrophobicContact CB-CE2 3.85Å; A123-F125 HydrophobicContact CB-CZ 4.26Å; F125-W135 HydrophobicContact CD1-CB 3.8Å; F125-W135 HydrophobicContact CE1-CB 4.08Å; F125-F137 HydrophobicContact CE1-CE1 4.28Å; F125-F137 AromaticContact CE1-CZ 3.95Å; F125-F137 HydrophobicContact CE1-CZ 3.95Å; F125-F137 AromaticContact CZ-CE1 3.83Å; F125-F137 HydrophobicContact CZ-CE1 3.83Å; F125-F137 AromaticContact CZ-CZ 3.97Å; F125-F137 HydrophobicContact CZ-CZ 3.97Å
126Q92.4Very high88.6Confident83 Ų8379 Ų7939%0.38840%0.397SS..EExtended strand (participates in β ladder)trans-124121174-161.9-179.9-10.800109.9L107 L133 T134L107-Q126 CarbonylContact O-C 3.58Å; L107-Q126 WeakPolarHBondContact O-CA 3.27Å; Q126-L133 PolarHBondContact O-N 2.77Å; Q126-T134 WeakPolarHBondContact CB-OG1 3.48Å; Q126-T134 PolarHBondContact N-O 2.79Å; Q126-T134 PolarHBondContact O-N 2.79Å; Q126-T134 PolarHBondContact OE1-OG1 3.2Å
127T91.3Very high89Confident14 Ų1480.6 Ų80.69%0.08639%0.394CS..EExtended strand (participates in β ladder)trans-108.8150.2171.174.50000109.6S106 L107 K131 F132S106-T127 VanDerWaalsContact CA-O 3.24Å; S106-T127 WeakPolarHBondContact CA-O 3.44Å; S106-T127 WeakPolarHBondContact CB-O 3.44Å; L107-T127 WeakPolarHBondContact CB-OG1 3.24Å; L107-T127 PolarHBondContact N-O 3.04Å; L107-T127 PolarHBondContact N-OG1 3.25Å; L107-T127 PolarHBondContact O-N 2.85Å; T127-K131 WeakPolarHBondContact CA-O 3.42Å; T127-F132 HydrophobicContact CG2-CD1 3.62Å; T127-F132 HydrophobicContact CG2-CE1 3.61Å; T127-F132 HydrophobicContact CG2-CG 4.23Å; T127-F132 HydrophobicContact CG2-CZ 4.22Å
128Q87.2Confident89.5Confident110 Ų11073.2 Ų73.251%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-122.3111.1164.2-178.8178.534.800107A130 K131 L133Q128-A130 PolarHBondContact O-N 2.98Å; Q128-A130 VanDerWaalsContact O-N 3.11Å; Q128-K131 PolarHBondContact N-O 2.79Å; Q128-K131 PolarHBondContact O-N 3.13Å; Q128-L133 HydrophobicContact CB-CD1 3.36Å; Q128-L133 HydrophobicContact CB-CG 3.95Å; Q128-L133 HydrophobicContact CG-CD1 4.32Å
129Q84.3Confident89.9Confident136 Ų13669.8 Ų69.864%0.63636%0.356SS*.THydrogen-bonded Turntrans53.3-114.7-173.7-52.5-178.3-34.400111.3G105G105-Q129 PolarHBondContact O-N 2.98Å
130A77.4Confident90.1Very high100 Ų10067.8 Ų67.883%0.82634%0.344SS*.THydrogen-bonded Turntrans-92.61.6-177.200000114.5Q128Q128-A130 PolarHBondContact O-N 2.98Å; Q128-A130 VanDerWaalsContact O-N 3.11Å
131K84.9Confident90.3Very high163 Ų16371.1 Ų71.171%0.70936%0.358SS*.EExtended strand (participates in β ladder)trans-116.3134.8-176-67-177.1-180-179.30111.4T127 Q128 L133T127-K131 WeakPolarHBondContact CA-O 3.42Å; Q128-K131 PolarHBondContact N-O 2.79Å; Q128-K131 PolarHBondContact O-N 3.13Å; K131-L133 PolarHBondContact O-N 2.85Å
132F82.3Confident90.1Very high143 Ų14371.9 Ų71.963%0.62736%0.355SS*.EExtended strand (participates in β ladder)trans-74.3118.2167-70.9-90.9000108.3T127T127-F132 HydrophobicContact CG2-CD1 3.62Å; T127-F132 HydrophobicContact CG2-CE1 3.61Å; T127-F132 HydrophobicContact CG2-CG 4.23Å; T127-F132 HydrophobicContact CG2-CZ 4.22Å
133L85.1Confident89.9Confident82 Ų8269.2 Ų69.243%0.42935%0.345SS..EExtended strand (participates in β ladder)trans-89.2-52.6178.3-86.3170.6000110.4Q126 Q128 K131 N154Q126-L133 PolarHBondContact O-N 2.77Å; Q128-L133 HydrophobicContact CB-CD1 3.36Å; Q128-L133 HydrophobicContact CB-CG 3.95Å; Q128-L133 HydrophobicContact CG-CD1 4.32Å; K131-L133 PolarHBondContact O-N 2.85Å; L133-N154 PolarHBondContact O-ND2 3.17Å
134T88.3Confident89.5Confident49 Ų4973.1 Ų73.130%0.30136%0.363SS..EExtended strand (participates in β ladder)trans-138.3141-17764.10000111.6Q126 N154Q126-T134 WeakPolarHBondContact CB-OG1 3.48Å; Q126-T134 PolarHBondContact N-O 2.79Å; Q126-T134 PolarHBondContact O-N 2.79Å; Q126-T134 PolarHBondContact OE1-OG1 3.2Å; T134-N154 WeakPolarHBondContact CA-OD1 3.07Å
135W90.1Very high89.4Confident108 Ų10874.4 Ų74.441%0.40937%0.369SS..EExtended strand (participates in β ladder)trans-136.4126.6168.1519.8000107.9V124 F125 N154V124-W135 CarbonylContact O-C 3.56Å; V124-W135 WeakPolarHBondContact O-CA 3.43Å; F125-W135 HydrophobicContact CD1-CB 3.8Å; F125-W135 HydrophobicContact CE1-CB 4.08Å; W135-N154 VanDerWaalsContact CD1-CA 3.47Å; W135-N154 PolarHBondContact N-OD1 3.39Å; W135-N154 PolarHBondContact O-N 2.83Å; W135-N154 PolarHBondContact O-OD1 2.83Å
136Q93.5Very high89.3Confident73 Ų7375 Ų7534%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-129.3132.9-173.9-174.3177.1-49.500109.4A123 V124 D138 T151 L152A123-Q136 CarbonylContact C-O 3.49Å; A123-Q136 WeakPolarHBondContact CA-O 3.29Å; V124-Q136 HydrophobicContact CB-CB 4.38Å; V124-Q136 PolarHBondContact N-O 2.81Å; V124-Q136 PolarHBondContact O-N 2.88Å; Q136-D138 WeakPolarHBondContact CG-OD1 3.42Å; Q136-D138 PolarHBondContact NE2-OD1 2.87Å; Q136-D138 PolarHBondContact NE2-OD2 2.81Å; Q136-T151 HydrophobicContact CG-CG2 3.57Å; Q136-L152 CarbonylContact C-O 3.55Å; Q136-L152 VanDerWaalsContact CA-O 3.31Å; Q136-L152 WeakPolarHBondContact CA-O 3.46Å
137F94.5Very high89.4Confident88 Ų8871.1 Ų71.139%0.38635%0.353SS..EExtended strand (participates in β ladder)trans-120116.3174.8-58.8-78.5000108.9K122 A123 F125 T151 L152K122-F137 CarbonylContact O-C 3.56Å; A123-F137 HydrophobicContact CB-CD1 3.89Å; A123-F137 HydrophobicContact CB-CE1 4.04Å; F125-F137 HydrophobicContact CE1-CE1 4.28Å; F125-F137 AromaticContact CE1-CZ 3.95Å; F125-F137 HydrophobicContact CE1-CZ 3.95Å; F125-F137 AromaticContact CZ-CE1 3.83Å; F125-F137 HydrophobicContact CZ-CE1 3.83Å; F125-F137 AromaticContact CZ-CZ 3.97Å; F125-F137 HydrophobicContact CZ-CZ 3.97Å; F137-T151 CarbonylContact O-C 3.47Å; F137-T151 WeakPolarHBondContact O-CA 3.27Å; F137-L152 PolarHBondContact N-O 3.17Å; F137-L152 PolarHBondContact O-N 2.85Å
138D93.6Very high89.5Confident14 Ų1471.9 Ų71.98%0.07536%0.36CS..EExtended strand (participates in β ladder)trans-107.2131.4176.3-47.3-50.5000109.3A121 K122 Q136 L150 T151A121-D138 CarbonylContact C-O 3.57Å; A121-D138 VanDerWaalsContact CA-O 3.25Å; A121-D138 WeakPolarHBondContact CA-O 3.47Å; K122-D138 HydrophobicContact CB-CB 4.13Å; K122-D138 WeakPolarHBondContact CD-OD2 3.39Å; K122-D138 PolarHBondContact N-O 2.77Å; K122-D138 PolarHBondContact O-N 2.81Å; Q136-D138 WeakPolarHBondContact CG-OD1 3.42Å; Q136-D138 PolarHBondContact NE2-OD1 2.87Å; Q136-D138 PolarHBondContact NE2-OD2 2.81Å; D138-L150 CarbonylContact C-O 3.57Å; D138-L150 WeakPolarHBondContact CA-O 3.47Å; D138-T151 WeakPolarHBondContact OD1-CB 2.98Å; D138-T151 WeakPolarHBondContact OD1-CG2 3.31Å; D138-T151 PolarHBondContact OD1-OG1 2.84Å
139G94.6Very high89.9Confident27 Ų2767.3 Ų67.328%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-114.3113.7166.400000109.4R120 T149 L150R120-G139 CarbonylContact O-C 3.59Å; R120-G139 WeakPolarHBondContact O-CA 3.35Å; G139-T149 CarbonylContact O-C 3.53Å; G139-T149 WeakPolarHBondContact O-CA 3.27Å; G139-L150 PolarHBondContact N-O 2.81Å; G139-L150 PolarHBondContact O-N 2.87Å
140E93.8Very high90.5Very high22 Ų2264.8 Ų64.810%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-109.8123.5179.5-179.1-172.4-14500109.7S29 R120 R142 T147 T149S29-E140 VanDerWaalsContact CB-OE1 3.32Å; S29-E140 WeakPolarHBondContact CB-OE1 3.35Å; S29-E140 PolarHBondContact OG-OE1 2.66Å; R120-E140 HydrophobicContact CB-CB 4.32Å; R120-E140 WeakPolarHBondContact CD-OE2 3.43Å; R120-E140 PolarHBondContact N-O 3.08Å; R120-E140 IonicContact NE-OE2 3.25Å; R120-E140 IonicContact NH1-OE2 2.67Å; R120-E140 PolarHBondContact NH1-OE2 3.48Å; R120-E140 PolarHBondContact O-N 3.02Å; E140-R142 VanDerWaalsContact CD-NE 3.27Å; E140-R142 HydrophobicContact CG-CG 4.15Å; E140-R142 IonicContact OE1-CZ 3.48Å; E140-R142 VanDerWaalsContact OE1-CZ 3.31Å; E140-R142 IonicContact OE1-NE 3.92Å; E140-R142 PolarHBondContact OE1-NE 3.34Å; E140-R142 IonicContact OE1-NH2 3.5Å; E140-R142 PolarHBondContact OE1-NH2 2.93Å; E140-R142 IonicContact OE2-CZ 2.77Å; E140-R142 IonicContact OE2-NE 3.51Å; E140-R142 PolarHBondContact OE2-NE 2.92Å; E140-R142 IonicContact OE2-NH2 2.75Å; E140-R142 PolarHBondContact OE2-NH2 2.97Å; E140-R142 VanDerWaalsContact OE2-NH2 3.1Å; E140-T147 HydrophobicContact CG-CG2 4.04Å; E140-T149 HydrophobicContact CB-CG2 4.23Å
141Y93.3Very high91.3Very high89 Ų8960.7 Ų60.735%0.34930%0.295SS..EExtended strand (participates in β ladder)trans-108.1117.2172.8-177.7-88.5000109.9R118 L119 Y146 T147 A148R118-Y141 HydrophobicContact CB-CD2 4.47Å; R118-Y141 HydrophobicContact CB-CE2 4.03Å; R118-Y141 WeakPolarHBondContact O-CA 3.22Å; L119-Y141 HydrophobicContact CD1-CD2 4.44Å; Y141-Y146 AromaticContact CD1-CE2 3.68Å; Y141-Y146 HydrophobicContact CD1-CE2 3.68Å; Y141-Y146 AromaticContact CE1-CE2 3.67Å; Y141-Y146 HydrophobicContact CE1-CE2 3.67Å; Y141-Y146 AromaticContact CE1-CZ 3.64Å; Y141-Y146 WeakPolarHBondContact CE1-OH 3.48Å; Y141-T147 WeakPolarHBondContact O-CA 3.42Å; Y141-A148 PolarHBondContact N-O 2.88Å; Y141-A148 PolarHBondContact O-N 3.37Å
142R90.5Very high91.7Very high40 Ų4056 Ų5615%0.15128%0.277CS..EExtended strand (participates in β ladder)trans-104.2104.1177.2-69.2-166-177.3164.67.2110.9E92 R118 R120 E140 T147E92-R142 IonicContact OE1-CZ 2.89Å; E92-R142 IonicContact OE1-NH1 3.62Å; E92-R142 PolarHBondContact OE1-NH1 3.23Å; E92-R142 IonicContact OE1-NH2 3.2Å; E92-R142 PolarHBondContact OE1-NH2 2.86Å; E92-R142 IonicContact OE2-NH1 3.59Å; R118-R142 WeakPolarHBondContact CB-O 3.46Å; R118-R142 PolarHBondContact NH1-O 3.5Å; R118-R142 PolarHBondContact O-N 2.97Å; R120-R142 VanDerWaalsContact CZ-NH1 3.32Å; E140-R142 VanDerWaalsContact CD-NE 3.27Å; E140-R142 HydrophobicContact CG-CG 4.15Å; E140-R142 IonicContact OE1-CZ 3.48Å; E140-R142 VanDerWaalsContact OE1-CZ 3.31Å; E140-R142 IonicContact OE1-NE 3.92Å; E140-R142 PolarHBondContact OE1-NE 3.34Å; E140-R142 IonicContact OE1-NH2 3.5Å; E140-R142 PolarHBondContact OE1-NH2 2.93Å; E140-R142 IonicContact OE2-CZ 2.77Å; E140-R142 IonicContact OE2-NE 3.51Å; E140-R142 PolarHBondContact OE2-NE 2.92Å; E140-R142 IonicContact OE2-NH2 2.75Å; E140-R142 PolarHBondContact OE2-NH2 2.97Å; E140-R142 VanDerWaalsContact OE2-NH2 3.1Å; R142-T147 HydrophobicContact CG-CG2 3.97Å
143G88.3Confident92.1Very high6 Ų649.6 Ų49.66%0.06225%0.252CS..  trans-77.2-171.4168.400000111.9N26 Y146N26-G143 PolarHBondContact ND2-O 3.48Å; G143-Y146 VanDerWaalsContact CA-O 3.31Å; G143-Y146 WeakPolarHBondContact CA-O 3.39Å; G143-Y146 PolarHBondContact N-O 2.94Å
144D87.3Confident92.3Very high99 Ų9948.2 Ų48.253%0.52925%0.245SC..SBendtrans-77.6-44.6177.1-64.2-33.5000111.1N26 R118N26-D144 VanDerWaalsContact CA-O 3.26Å; N26-D144 WeakPolarHBondContact CA-O 3.44Å; N26-D144 PolarHBondContact N-O 2.9Å; R118-D144 IonicContact CZ-OD1 2.85Å; R118-D144 IonicContact NH1-OD1 2.82Å; R118-D144 PolarHBondContact NH1-OD1 2.82Å; R118-D144 IonicContact NH2-OD1 3.1Å; R118-D144 PolarHBondContact NH2-OD1 3.18Å; R118-D144 IonicContact NH2-OD2 3.81Å
145D90.9Very high92.1Very high53 Ų5347.8 Ų47.828%0.28324%0.243SC..SBendtrans-112.7-8-176.763.2-37.9000114.1L24 S171L24-D145 HydrophobicContact CB-CB 4.14Å; D145-S171 WeakPolarHBondContact O-CB 3.26Å; D145-S171 PolarHBondContact O-N 2.88Å
146Y91.8Very high91.8Very high75 Ų7546 Ų4629%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-135.8158.7179.471-87.5000113.3N26 Y141 G143 F168 L169N26-Y146 PolarHBondContact ND2-O 3.5Å; Y141-Y146 AromaticContact CD1-CE2 3.68Å; Y141-Y146 HydrophobicContact CD1-CE2 3.68Å; Y141-Y146 AromaticContact CE1-CE2 3.67Å; Y141-Y146 HydrophobicContact CE1-CE2 3.67Å; Y141-Y146 AromaticContact CE1-CZ 3.64Å; Y141-Y146 WeakPolarHBondContact CE1-OH 3.48Å; G143-Y146 VanDerWaalsContact CA-O 3.31Å; G143-Y146 WeakPolarHBondContact CA-O 3.39Å; G143-Y146 PolarHBondContact N-O 2.94Å; Y146-F168 AromaticContact CD2-CE2 3.84Å; Y146-F168 HydrophobicContact CD2-CE2 3.84Å; Y146-F168 HydrophobicContact CD2-CZ 4.45Å; Y146-F168 HydrophobicContact CG-CE2 4.27Å; Y146-F168 HydrophobicContact CG-CZ 4.44Å; Y146-L169 CarbonylContact C-O 3.52Å; Y146-L169 WeakPolarHBondContact CA-O 3.42Å; Y146-L169 WeakPolarHBondContact CB-O 3.31Å
147T93.9Very high91.1Very high3 Ų350.3 Ų50.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-133.1129.1171.8-59.60000108.7N26 G28 E140 Y141 R142 L169N26-T147 PolarHBondContact ND2-OG1 3.16Å; N26-T147 PolarHBondContact OD1-OG1 3.46Å; G28-T147 VanDerWaalsContact O-CB 3.26Å; G28-T147 WeakPolarHBondContact O-CB 3.26Å; G28-T147 WeakPolarHBondContact O-CG2 3.43Å; G28-T147 PolarHBondContact O-OG1 3.32Å; E140-T147 HydrophobicContact CG-CG2 4.04Å; Y141-T147 WeakPolarHBondContact O-CA 3.42Å; R142-T147 HydrophobicContact CG-CG2 3.97Å; T147-L169 PolarHBondContact N-O 3.18Å; T147-L169 PolarHBondContact O-N 2.81Å
148A94.8Very high90.5Very high30 Ų3053.8 Ų53.825%0.24829%0.287CS..EExtended strand (participates in β ladder)trans-120.5131.1175.300000109.4Y141 H167 F168Y141-A148 PolarHBondContact N-O 2.88Å; Y141-A148 PolarHBondContact O-N 3.37Å; A148-H167 WeakPolarHBondContact CA-O 3.5Å; A148-F168 HydrophobicContact CB-CD2 4.05Å
149T95.3Very high89.7Confident14 Ų1454.3 Ų54.39%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-126.2135.2177.9-50.40000109.3G139 E140 A166 H167G139-T149 CarbonylContact O-C 3.53Å; G139-T149 WeakPolarHBondContact O-CA 3.27Å; E140-T149 HydrophobicContact CB-CG2 4.23Å; T149-A166 CarbonylContact O-C 3.52Å; T149-A166 WeakPolarHBondContact O-CA 3.1Å; T149-H167 PolarHBondContact N-O 3.48Å; T149-H167 PolarHBondContact O-N 3.29Å
150L95.7Very high89.1Confident82 Ų8258.8 Ų58.843%0.42931%0.309SS..EExtended strand (participates in β ladder)trans-121.6120.1172.2-178.167.6000109D138 G139 M164 A166D138-L150 CarbonylContact C-O 3.57Å; D138-L150 WeakPolarHBondContact CA-O 3.47Å; G139-L150 PolarHBondContact N-O 2.81Å; G139-L150 PolarHBondContact O-N 2.87Å; L150-M164 HydrophobicContact CD1-CG 3.79Å; L150-M164 HydrophobicContact CD1-SD 4.05Å; L150-A166 HydrophobicContact CD1-CB 4.18Å
151T94.4Very high88.6Confident14 Ų1459.3 Ų59.39%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-114.7127.4-179.5-68.90000109.6Q136 F137 D138 M164 V165Q136-T151 HydrophobicContact CG-CG2 3.57Å; F137-T151 CarbonylContact O-C 3.47Å; F137-T151 WeakPolarHBondContact O-CA 3.27Å; D138-T151 WeakPolarHBondContact OD1-CB 2.98Å; D138-T151 WeakPolarHBondContact OD1-CG2 3.31Å; D138-T151 PolarHBondContact OD1-OG1 2.84Å; T151-M164 CarbonylContact O-C 3.55Å; T151-M164 WeakPolarHBondContact O-CA 3.42Å; T151-V165 HydrophobicContact CG2-CB 4.5Å; T151-V165 PolarHBondContact N-O 2.96Å; T151-V165 PolarHBondContact O-N 2.85Å
152L93.5Very high88.4Confident64 Ų6457 Ų5734%0.33531%0.31SS..EExtended strand (participates in β ladder)trans-113.3111.8173-67.2171.6000108.5Q136 F137 V162 M164Q136-L152 CarbonylContact C-O 3.55Å; Q136-L152 VanDerWaalsContact CA-O 3.31Å; Q136-L152 WeakPolarHBondContact CA-O 3.46Å; F137-L152 PolarHBondContact N-O 3.17Å; F137-L152 PolarHBondContact O-N 2.85Å; L152-V162 HydrophobicContact CD2-CG2 4.48Å; L152-M164 HydrophobicContact CD2-CB 3.95Å; L152-M164 HydrophobicContact CD2-CG 3.77Å; L152-M164 HydrophobicContact CD2-SD 4.27Å
153G91.4Very high88.5Confident10 Ų1057.6 Ų57.610%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-107.7132.2177.400000110.9P155 I163G153-P155 VanDerWaalsContact C-CD 3.44Å; G153-I163 PolarHBondContact N-O 2.8Å; G153-I163 WeakPolarHBondContact O-CB 3.37Å; G153-I163 PolarHBondContact O-N 2.89Å
154N88.9Confident88.7Confident53 Ų5360.6 Ų60.628%0.28333%0.329SS..EExtended strand (participates in β ladder)trans51.349.4172.4-64.81.2000115.4L133 T134 W135 D156L133-N154 PolarHBondContact O-ND2 3.17Å; T134-N154 WeakPolarHBondContact CA-OD1 3.07Å; W135-N154 VanDerWaalsContact CD1-CA 3.47Å; W135-N154 PolarHBondContact N-OD1 3.39Å; W135-N154 PolarHBondContact O-N 2.83Å; W135-N154 PolarHBondContact O-OD1 2.83Å; N154-D156 PolarHBondContact O-N 3.22Å
155P84.4Confident89.1Confident39 Ų3956.8 Ų56.825%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-67.4116172.929.2-34.6000110.1G153 V162G153-P155 VanDerWaalsContact C-CD 3.44Å; P155-V162 HydrophobicContact CB-CG2 4.31Å
156D83.8Confident89.3Confident70 Ų7055.9 Ų55.937%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-119.4107.6169.5-177.87.3000109N154 I158 G159 E160 S161N154-D156 PolarHBondContact O-N 3.22Å; D156-I158 PolarHBondContact O-N 3.47Å; D156-I158 PolarHBondContact OD1-N 2.89Å; D156-G159 VanDerWaalsContact CG-N 3.25Å; D156-G159 PolarHBondContact OD1-N 2.96Å; D156-G159 WeakPolarHBondContact OD2-CA 3.17Å; D156-G159 PolarHBondContact OD2-N 2.83Å; D156-G159 VanDerWaalsContact OD2-N 3.13Å; D156-E160 WeakPolarHBondContact O-CA 3.34Å; D156-E160 PolarHBondContact O-N 2.82Å; D156-E160 VanDerWaalsContact O-N 3.15Å; D156-S161 PolarHBondContact N-O 3.44Å; D156-S161 PolarHBondContact O-N 2.85Å; D156-S161 VanDerWaalsContact O-N 3.1Å
157L78.8Confident89.5Confident164 Ų16453 Ų5386%0.85930%0.299SS*.THydrogen-bonded Turntrans-69.6-24.6179-72.888.4000112.1
158I81.2Confident89.6Confident162 Ų16257.2 Ų57.283%0.83132%0.317SS*.THydrogen-bonded Turntrans-86.3-45.1-177.1-58.8174.1000109.7D156 E160D156-I158 PolarHBondContact O-N 3.47Å; D156-I158 PolarHBondContact OD1-N 2.89Å; I158-E160 PolarHBondContact O-N 3.02Å
159G76.8Confident89.6Confident25 Ų2556 Ų5626%0.25831%0.306SS..THydrogen-bonded Turntrans-80.25.517600000114.8D156 S161 P188D156-G159 VanDerWaalsContact CG-N 3.25Å; D156-G159 PolarHBondContact OD1-N 2.96Å; D156-G159 WeakPolarHBondContact OD2-CA 3.17Å; D156-G159 PolarHBondContact OD2-N 2.83Å; D156-G159 VanDerWaalsContact OD2-N 3.13Å; G159-S161 PolarHBondContact O-N 3.1Å; G159-P188 WeakPolarHBondContact O-CD 3.45Å; G159-P188 WeakPolarHBondContact O-CG 3.34Å
160E82.3Confident89.5Confident120 Ų12058.7 Ų58.756%0.56132%0.318SS*.THydrogen-bonded Turntrans43.736.1-174.1-64.1-169.4-178.500113.7D156 I158 R186D156-E160 WeakPolarHBondContact O-CA 3.34Å; D156-E160 PolarHBondContact O-N 2.82Å; D156-E160 VanDerWaalsContact O-N 3.15Å; I158-E160 PolarHBondContact O-N 3.02Å; E160-R186 IonicContact OE2-NH2 2.67Å
161S84.1Confident89.4Confident34 Ų3455 Ų5524%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-112.7131.4-176.482.60000110.6D156 G159 R186D156-S161 PolarHBondContact N-O 3.44Å; D156-S161 PolarHBondContact O-N 2.85Å; D156-S161 VanDerWaalsContact O-N 3.1Å; G159-S161 PolarHBondContact O-N 3.1Å; S161-R186 VanDerWaalsContact CA-O 3.22Å; S161-R186 WeakPolarHBondContact CA-O 3.39Å
162V88.8Confident89.3Confident39 Ų3958.6 Ų58.624%0.23632%0.317CS..EExtended strand (participates in β ladder)trans-153141.1177.864.30000109.9L152 P155 H185 R186L152-V162 HydrophobicContact CD2-CG2 4.48Å; P155-V162 HydrophobicContact CB-CG2 4.31Å; V162-H185 WeakPolarHBondContact O-CA 3.35Å; V162-R186 HydrophobicContact CG1-CB 4.19Å; V162-R186 PolarHBondContact N-O 2.88Å; V162-R186 PolarHBondContact O-N 3.49Å
163I91.6Very high89.1Confident53 Ų5358.8 Ų58.827%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-112120.2166.8-55.7174.3000106.6G153 V165 Y184 H185G153-I163 PolarHBondContact N-O 2.8Å; G153-I163 WeakPolarHBondContact O-CB 3.37Å; G153-I163 PolarHBondContact O-N 2.89Å; I163-V165 HydrophobicContact CG2-CG2 4.2Å; I163-Y184 WeakPolarHBondContact CA-O 3.27Å; I163-H185 HydrophobicContact CG1-CB 4.19Å
164M93.7Very high88.9Confident69 Ų6963 Ų6334%0.3434%0.338SS..EExtended strand (participates in β ladder)trans-118.7127.3175-177.2176.869.600108.3L150 T151 L152 Y184L150-M164 HydrophobicContact CD1-CG 3.79Å; L150-M164 HydrophobicContact CD1-SD 4.05Å; T151-M164 CarbonylContact O-C 3.55Å; T151-M164 WeakPolarHBondContact O-CA 3.42Å; L152-M164 HydrophobicContact CD2-CB 3.95Å; L152-M164 HydrophobicContact CD2-CG 3.77Å; L152-M164 HydrophobicContact CD2-SD 4.27Å; M164-Y184 PolarHBondContact N-O 2.98Å; M164-Y184 PolarHBondContact O-N 3.28Å; M164-Y184 VanDerWaalsContact O-O 3.14Å
165V94.9Very high89.1Confident19 Ų1966.5 Ų66.512%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-120.9123.2176.3-174.10000108.1T151 I163 H167 E181 L182 V183T151-V165 HydrophobicContact CG2-CB 4.5Å; T151-V165 PolarHBondContact N-O 2.96Å; T151-V165 PolarHBondContact O-N 2.85Å; I163-V165 HydrophobicContact CG2-CG2 4.2Å; V165-H167 WeakPolarHBondContact CG1-NE2 3.37Å; V165-E181 HydrophobicContact CG1-CG 4Å; V165-E181 WeakPolarHBondContact CG1-OE1 3.33Å; V165-L182 CarbonylContact C-O 3.57Å; V165-L182 WeakPolarHBondContact CA-O 3.38Å; V165-V183 HydrophobicContact CG1-CG2 3.96Å; V165-V183 HydrophobicContact CG2-CB 4.47Å; V165-V183 HydrophobicContact CG2-CG1 4.17Å; V165-V183 HydrophobicContact CG2-CG2 4.08Å
166A95.4Very high89.5Confident35 Ų3567.3 Ų67.329%0.28935%0.349SS..EExtended strand (participates in β ladder)trans-114124.2175.700000109.3T149 L150 E181 L182T149-A166 CarbonylContact O-C 3.52Å; T149-A166 WeakPolarHBondContact O-CA 3.1Å; L150-A166 HydrophobicContact CD1-CB 4.18Å; A166-E181 CarbonylContact O-C 3.55Å; A166-E181 WeakPolarHBondContact O-CA 3.24Å; A166-L182 PolarHBondContact N-O 2.85Å; A166-L182 PolarHBondContact O-N 2.94Å
167H95.8Very high90Very high14 Ų1464.3 Ų64.37%0.06533%0.333CS..EExtended strand (participates in β ladder)trans-111.5139.8174.8-55.5143.3000110F30 A148 T149 V165 G180 E181F30-H167 HydrophobicContact CB-CB 3.86Å; F30-H167 AromaticContact CD1-CD2 3.82Å; F30-H167 AromaticContact CD1-CE1 3.93Å; F30-H167 AromaticContact CD1-NE2 3.7Å; F30-H167 HydrophobicContact CD2-CB 4.29Å; F30-H167 HydrophobicContact CG-CB 4.11Å; F30-H167 AromaticContact CG-CD2 3.92Å; F30-H167 AromaticContact CG-CG 3.82Å; A148-H167 WeakPolarHBondContact CA-O 3.5Å; T149-H167 PolarHBondContact N-O 3.48Å; T149-H167 PolarHBondContact O-N 3.29Å; V165-H167 WeakPolarHBondContact CG1-NE2 3.37Å; H167-G180 WeakPolarHBondContact CA-O 3.49Å; H167-E181 VanDerWaalsContact CD2-CG 3.44Å; H167-E181 WeakPolarHBondContact CD2-CG 3.32Å; H167-E181 IonicContact CD2-OE1 2.86Å; H167-E181 IonicContact CE1-OE1 3.04Å; H167-E181 IonicContact NE2-OE1 3.83Å; H167-E181 PolarHBondContact NE2-OE1 3.11Å
168F95.5Very high90.8Very high92 Ų9260.1 Ų60.140%0.40431%0.312SS..EExtended strand (participates in β ladder)trans-139123.9170.7-174.9-99.1000109.4Y146 A148 Q170 G179 G180Y146-F168 AromaticContact CD2-CE2 3.84Å; Y146-F168 HydrophobicContact CD2-CE2 3.84Å; Y146-F168 HydrophobicContact CD2-CZ 4.45Å; Y146-F168 HydrophobicContact CG-CE2 4.27Å; Y146-F168 HydrophobicContact CG-CZ 4.44Å; A148-F168 HydrophobicContact CB-CD2 4.05Å; F168-Q170 HydrophobicContact CE1-CB 3.94Å; F168-Q170 HydrophobicContact CZ-CB 4.38Å; F168-G179 CarbonylContact O-C 3.6Å; F168-G179 WeakPolarHBondContact O-CA 3.13Å; F168-G180 PolarHBondContact N-O 2.81Å; F168-G180 PolarHBondContact O-N 3.07Å
169L95.3Very high91.5Very high3 Ų353.3 Ų53.32%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-124.7136.8174.4-75.1169.6000109.7P27 F30 Y146 T147 V177P27-L169 HydrophobicContact CB-CB 4.18Å; P27-L169 HydrophobicContact CG-CB 3.98Å; F30-L169 HydrophobicContact CB-CD1 4Å; F30-L169 HydrophobicContact CD2-CD1 4.05Å; F30-L169 HydrophobicContact CD2-CD2 4.15Å; F30-L169 HydrophobicContact CD2-CG 4.01Å; F30-L169 HydrophobicContact CG-CD1 4.47Å; Y146-L169 CarbonylContact C-O 3.52Å; Y146-L169 WeakPolarHBondContact CA-O 3.42Å; Y146-L169 WeakPolarHBondContact CB-O 3.31Å; T147-L169 PolarHBondContact N-O 3.18Å; T147-L169 PolarHBondContact O-N 2.81Å; L169-V177 HydrophobicContact CB-CG1 4.28Å; L169-V177 HydrophobicContact CD2-CG1 3.96Å
170Q93.9Very high92.3Very high72 Ų7252.8 Ų52.834%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-133.6133.1177-172.8174.95.600110.6F168 L172 V177 L178F168-Q170 HydrophobicContact CE1-CB 3.94Å; F168-Q170 HydrophobicContact CZ-CB 4.38Å; Q170-L172 PolarHBondContact O-N 2.86Å; Q170-V177 WeakPolarHBondContact O-CA 3.21Å; Q170-L178 PolarHBondContact N-O 2.86Å; Q170-L178 PolarHBondContact O-N 3.02Å; Q170-L178 VanDerWaalsContact O-O 3.12Å
171S93.6Very high93Very high3 Ų349 Ų492%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-76.6114.4170.5-160.90000108.4L24 P25 D145 T173L24-S171 VanDerWaalsContact CD1-O 3.29Å; L24-S171 WeakPolarHBondContact CD1-O 3.32Å; P25-S171 WeakPolarHBondContact O-CB 3.47Å; P25-S171 PolarHBondContact O-OG 3Å; D145-S171 WeakPolarHBondContact O-CB 3.26Å; D145-S171 PolarHBondContact O-N 2.88Å; S171-T173 PolarHBondContact OG-O 2.78Å
172L91.1Very high93.5Very high90 Ų9050.9 Ų50.947%0.47127%0.265SS..SBendtrans-92.4-29.6176.9-69178.1000111.8Q170 L176 L178Q170-L172 PolarHBondContact O-N 2.86Å; L172-L176 PolarHBondContact N-O 2.89Å; L172-L178 HydrophobicContact CD1-CB 4.16Å; L172-L178 HydrophobicContact CD1-CD1 3.48Å; L172-L178 VanDerWaalsContact CD1-CD1 3.48Å; L172-L178 HydrophobicContact CD1-CG 3.82Å
173T90.5Very high93.7Very high68 Ų6850.5 Ų50.542%0.41726%0.263SS..SBendtrans-143.7168.3173.364.70000108.5S171 R175 L176S171-T173 PolarHBondContact OG-O 2.78Å; T173-R175 PolarHBondContact O-N 2.79Å; T173-R175 PolarHBondContact OG1-N 2.83Å; T173-L176 PolarHBondContact N-O 2.87Å; T173-L176 PolarHBondContact O-N 2.78Å; T173-L176 WeakPolarHBondContact OG1-CB 3.37Å; T173-L176 PolarHBondContact OG1-N 2.92Å
174H87.6Confident93.7Very high98 Ų9851 Ų5145%0.45426%0.262SS..SBendtrans-55.5-13175.9-65.4-80.5000115.1
175R91.3Very high93.6Very high127 Ų12749.5 Ų49.548%0.47925%0.254SS..SBendtrans-121.3-26.7-178.8-62.1-171.7-174.8176.71.4113.9T173 Y201 S202T173-R175 PolarHBondContact O-N 2.79Å; T173-R175 PolarHBondContact OG1-N 2.83Å; R175-Y201 HydrophobicContact CB-CE2 4.13Å; R175-Y201 CarbonylContact O-C 3.5Å; R175-Y201 WeakPolarHBondContact O-CA 3.34Å; R175-S202 VanDerWaalsContact CB-O 3.24Å; R175-S202 WeakPolarHBondContact CB-O 2.97Å; R175-S202 VanDerWaalsContact CG-O 3.25Å; R175-S202 WeakPolarHBondContact CG-O 3.3Å; R175-S202 PolarHBondContact O-N 3.32Å
176L92.8Very high93.2Very high56 Ų5652.7 Ų52.729%0.29326%0.264SS..EExtended strand (participates in β ladder)trans-107.5121.2-174.4-17669.5000110.4L172 T173 L178 K200 Y201L172-L176 PolarHBondContact N-O 2.89Å; T173-L176 PolarHBondContact N-O 2.87Å; T173-L176 PolarHBondContact O-N 2.78Å; T173-L176 WeakPolarHBondContact OG1-CB 3.37Å; T173-L176 PolarHBondContact OG1-N 2.92Å; L176-L178 HydrophobicContact CD1-CD2 4.12Å; L176-L178 HydrophobicContact CD2-CG 4.45Å; L176-L178 HydrophobicContact CG-CD2 4.4Å; L176-L178 HydrophobicContact CG-CG 4.31Å; L176-K200 WeakPolarHBondContact CA-O 3.4Å; L176-Y201 HydrophobicContact CB-CD2 4.48Å; L176-Y201 HydrophobicContact CD1-CD2 4.2Å
177V95.1Very high92.8Very high8 Ų857.5 Ų57.55%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-115.3130.5171.41750000107.7P27 L169 Q170 G199 K200P27-V177 HydrophobicContact CB-CB 4.25Å; P27-V177 HydrophobicContact CB-CG1 3.4Å; P27-V177 VanDerWaalsContact CB-CG1 3.4Å; P27-V177 HydrophobicContact CB-CG2 3.78Å; P27-V177 HydrophobicContact CG-CG1 4.47Å; L169-V177 HydrophobicContact CB-CG1 4.28Å; L169-V177 HydrophobicContact CD2-CG1 3.96Å; Q170-V177 WeakPolarHBondContact O-CA 3.21Å; V177-G199 CarbonylContact O-C 3.59Å; V177-G199 WeakPolarHBondContact O-CA 3.37Å; V177-K200 HydrophobicContact CB-CB 4.27Å; V177-K200 PolarHBondContact N-O 3.44Å; V177-K200 PolarHBondContact O-N 2.85Å
178L95.9Very high92.1Very high76 Ų7661.7 Ų61.740%0.39830%0.303SS..EExtended strand (participates in β ladder)trans-121.6157172-64.3-174.2000109.6Q170 L172 L176 A198Q170-L178 PolarHBondContact N-O 2.86Å; Q170-L178 PolarHBondContact O-N 3.02Å; Q170-L178 VanDerWaalsContact O-O 3.12Å; L172-L178 HydrophobicContact CD1-CB 4.16Å; L172-L178 HydrophobicContact CD1-CD1 3.48Å; L172-L178 VanDerWaalsContact CD1-CD1 3.48Å; L172-L178 HydrophobicContact CD1-CG 3.82Å; L176-L178 HydrophobicContact CD1-CD2 4.12Å; L176-L178 HydrophobicContact CD2-CG 4.45Å; L176-L178 HydrophobicContact CG-CD2 4.4Å; L176-L178 HydrophobicContact CG-CG 4.31Å; L178-A198 CarbonylContact C-O 3.53Å; L178-A198 WeakPolarHBondContact CA-O 3.43Å
179G95.4Very high91.3Very high18 Ų1861.8 Ų61.819%0.18633%0.329CS..EExtended strand (participates in β ladder)trans-175.2-166174.100000112.9F168 A198F168-G179 CarbonylContact O-C 3.6Å; F168-G179 WeakPolarHBondContact O-CA 3.13Å; G179-A198 PolarHBondContact N-O 3.25Å; G179-A198 PolarHBondContact O-N 3.22Å
180G94.8Very high90.8Very high15 Ų1566.9 Ų66.916%0.15535%0.353CS..EExtended strand (participates in β ladder)trans-156.3161.6178.100000112.5H167 F168 T196H167-G180 WeakPolarHBondContact CA-O 3.49Å; F168-G180 PolarHBondContact N-O 2.81Å; F168-G180 PolarHBondContact O-N 3.07Å; G180-T196 CarbonylContact C-O 3.6Å; G180-T196 WeakPolarHBondContact CA-O 3.31Å
181E95.4Very high90.5Very high39 Ų3969.3 Ų69.318%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-124128.6175.6165.3176.1-130.600108.3F30 V165 A166 H167 V183 L195 T196F30-E181 HydrophobicContact CE1-CB 3.98Å; F30-E181 HydrophobicContact CE1-CG 4.47Å; F30-E181 HydrophobicContact CE2-CB 3.98Å; F30-E181 HydrophobicContact CZ-CB 3.55Å; F30-E181 HydrophobicContact CZ-CG 4.47Å; V165-E181 HydrophobicContact CG1-CG 4Å; V165-E181 WeakPolarHBondContact CG1-OE1 3.33Å; A166-E181 CarbonylContact O-C 3.55Å; A166-E181 WeakPolarHBondContact O-CA 3.24Å; H167-E181 VanDerWaalsContact CD2-CG 3.44Å; H167-E181 WeakPolarHBondContact CD2-CG 3.32Å; H167-E181 IonicContact CD2-OE1 2.86Å; H167-E181 IonicContact CE1-OE1 3.04Å; H167-E181 IonicContact NE2-OE1 3.83Å; H167-E181 PolarHBondContact NE2-OE1 3.11Å; E181-V183 HydrophobicContact CG-CG2 3.85Å; E181-L195 CarbonylContact O-C 3.59Å; E181-L195 WeakPolarHBondContact O-CA 3.38Å; E181-T196 PolarHBondContact N-O 2.83Å; E181-T196 PolarHBondContact O-N 2.8Å
182L94.3Very high90.2Very high74 Ų7470 Ų7039%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-114.1110.7171.3178.966.8000108.5V165 A166 A193 I194V165-L182 CarbonylContact C-O 3.57Å; V165-L182 WeakPolarHBondContact CA-O 3.38Å; A166-L182 PolarHBondContact N-O 2.85Å; A166-L182 PolarHBondContact O-N 2.94Å; L182-A193 HydrophobicContact CD1-CB 4.42Å; L182-I194 WeakPolarHBondContact CA-O 3.43Å
183V93.8Very high90.2Very high31 Ų3169 Ų6919%0.18838%0.377CS..EExtended strand (participates in β ladder)trans-98.3111.2172.4-1800000108.1V165 E181 A193 I194V165-V183 HydrophobicContact CG1-CG2 3.96Å; V165-V183 HydrophobicContact CG2-CB 4.47Å; V165-V183 HydrophobicContact CG2-CG1 4.17Å; V165-V183 HydrophobicContact CG2-CG2 4.08Å; E181-V183 HydrophobicContact CG-CG2 3.85Å; V183-A193 CarbonylContact O-C 3.57Å; V183-A193 WeakPolarHBondContact O-CA 3.4Å; V183-I194 HydrophobicContact CB-CB 4.37Å; V183-I194 PolarHBondContact N-O 2.78Å; V183-I194 PolarHBondContact O-N 2.8Å
184Y92.3Very high90.2Very high65 Ų6567.3 Ų67.326%0.25537%0.365SS..EExtended strand (participates in β ladder)trans-104.2122.4170.4-179.4-106.1000109.1I163 M164 R186 A193I163-Y184 WeakPolarHBondContact CA-O 3.27Å; M164-Y184 PolarHBondContact N-O 2.98Å; M164-Y184 PolarHBondContact O-N 3.28Å; M164-Y184 VanDerWaalsContact O-O 3.14Å; Y184-R186 HydrophobicContact CE1-CB 3.95Å; Y184-A193 HydrophobicContact CD2-CB 4.37Å
185H91.1Very high90.5Very high37 Ų3767.5 Ų67.517%0.17137%0.369CS..EExtended strand (participates in β ladder)trans-124132.3171.263.9-73.8000109.5V162 I163 G192V162-H185 WeakPolarHBondContact O-CA 3.35Å; I163-H185 HydrophobicContact CG1-CB 4.19Å; H185-G192 VanDerWaalsContact CE1-CA 3.48Å; H185-G192 WeakPolarHBondContact CE1-CA 3.39Å; H185-G192 PolarHBondContact N-O 2.85Å; H185-G192 PolarHBondContact ND1-O 2.85Å; H185-G192 VanDerWaalsContact ND1-O 3.1Å; H185-G192 PolarHBondContact O-N 2.87Å
186R87.3Confident90.7Very high85 Ų8562.4 Ų62.432%0.32135%0.352SS..EExtended strand (participates in β ladder)trans-120.1126.8174.2-178.6-179.2179.3100.66.2107.6E160 S161 V162 Y184 E191E160-R186 IonicContact OE2-NH2 2.67Å; S161-R186 VanDerWaalsContact CA-O 3.22Å; S161-R186 WeakPolarHBondContact CA-O 3.39Å; V162-R186 HydrophobicContact CG1-CB 4.19Å; V162-R186 PolarHBondContact N-O 2.88Å; V162-R186 PolarHBondContact O-N 3.49Å; Y184-R186 HydrophobicContact CE1-CB 3.95Å; R186-E191 HydrophobicContact CG-CG 4.24Å; R186-E191 IonicContact CZ-OE1 3.73Å; R186-E191 VanDerWaalsContact CZ-OE1 3.29Å; R186-E191 IonicContact NH1-OE1 3.29Å; R186-E191 PolarHBondContact NH1-OE1 2.83Å; R186-E191 IonicContact NH2-OE1 3.66Å
187R86.2Confident90.8Very high137 Ų13765.1 Ų65.152%0.51737%0.366SS..EExtended strand (participates in β ladder)trans-132.2156.9169-68.1-178.9-179.4174.30.4108.2G189 E190R187-G189 PolarHBondContact O-N 2.82Å; R187-E190 PolarHBondContact N-O 3.49Å; R187-E190 CarbonylContact O-C 3.56Å; R187-E190 PolarHBondContact O-N 2.96Å
188P81.6Confident90.9Very high102 Ų10265 Ų6566%0.66237%0.366SS*.THydrogen-bonded Turntrans-53.1110.8175.2-2835.9000111.5G159G159-P188 WeakPolarHBondContact O-CD 3.45Å; G159-P188 WeakPolarHBondContact O-CG 3.34Å
189G78.5Confident90.8Very high93 Ų9362.1 Ų62.196%0.95936%0.355SS*.THydrogen-bonded Turntrans86.6-2.1-179.800000116.4R187R187-G189 PolarHBondContact O-N 2.82Å
190E83.8Confident90.8Very high110 Ų11063 Ų6351%0.51435%0.353SS..EExtended strand (participates in β ladder)trans-137.2118.7177.8-169177.4-168.500110.6R187R187-E190 PolarHBondContact N-O 3.49Å; R187-E190 CarbonylContact O-C 3.56Å; R187-E190 PolarHBondContact O-N 2.96Å
191E88.6Confident90.8Very high123 Ų12366.6 Ų66.658%0.57536%0.363SS*.EExtended strand (participates in β ladder)trans-120.4131.2172.9-67.4-172-170.400109.2R186R186-E191 HydrophobicContact CG-CG 4.24Å; R186-E191 IonicContact CZ-OE1 3.73Å; R186-E191 VanDerWaalsContact CZ-OE1 3.29Å; R186-E191 IonicContact NH1-OE1 3.29Å; R186-E191 PolarHBondContact NH1-OE1 2.83Å; R186-E191 IonicContact NH2-OE1 3.66Å
192G87.4Confident90.8Very high19 Ų1966.6 Ų66.620%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-146.2136.9178.600000112.5H185H185-G192 VanDerWaalsContact CE1-CA 3.48Å; H185-G192 WeakPolarHBondContact CE1-CA 3.39Å; H185-G192 PolarHBondContact N-O 2.85Å; H185-G192 PolarHBondContact ND1-O 2.85Å; H185-G192 VanDerWaalsContact ND1-O 3.1Å; H185-G192 PolarHBondContact O-N 2.87Å
193A90.8Very high90.7Very high69 Ų6964.3 Ų64.357%0.5736%0.359SS*.EExtended strand (participates in β ladder)trans-118.3129.4169.900000109L182 V183 Y184L182-A193 HydrophobicContact CD1-CB 4.42Å; V183-A193 CarbonylContact O-C 3.57Å; V183-A193 WeakPolarHBondContact O-CA 3.4Å; Y184-A193 HydrophobicContact CD2-CB 4.37Å
194I91.1Very high90.4Very high32 Ų3268.2 Ų68.216%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-119.1120.3175.8-60.6172.1000106.9L182 V183L182-I194 WeakPolarHBondContact CA-O 3.43Å; V183-I194 HydrophobicContact CB-CB 4.37Å; V183-I194 PolarHBondContact N-O 2.78Å; V183-I194 PolarHBondContact O-N 2.8Å
195L93.4Very high90.4Very high102 Ų10270.8 Ų70.853%0.53440%0.397SS..EExtended strand (participates in β ladder)trans-100.7127.5171.7-177.968.7000108.7E181 G213E181-L195 CarbonylContact O-C 3.59Å; E181-L195 WeakPolarHBondContact O-CA 3.38Å; L195-G213 VanDerWaalsContact O-CA 3.3Å; L195-G213 WeakPolarHBondContact O-CA 3.25Å
196T94.6Very high90.5Very high20 Ų2073 Ų7312%0.12340%0.404CS..EExtended strand (participates in β ladder)trans-119.8130.1173.7-560000107.9G180 E181 N211G180-T196 CarbonylContact C-O 3.6Å; G180-T196 WeakPolarHBondContact CA-O 3.31Å; E181-T196 PolarHBondContact N-O 2.83Å; E181-T196 PolarHBondContact O-N 2.8Å; T196-N211 HydrophobicContact CG2-CB 4.07Å
197L96.4Very high90.9Very high112 Ų11269.8 Ų69.859%0.58639%0.394SS*.EExtended strand (participates in β ladder)trans-94.6138.4171.7-61.6176000108.8N211 V212L197-N211 CarbonylContact O-C 3.49Å; L197-N211 VanDerWaalsContact O-CA 3.27Å; L197-N211 WeakPolarHBondContact O-CA 3.25Å; L197-V212 PolarHBondContact N-O 2.91Å; L197-V212 PolarHBondContact O-N 2.78Å
198A95.5Very high91.4Very high5 Ų564.7 Ų64.74%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-123.8140.8-179.800000110.8F30 L33 L178 G179 L210 N211F30-A198 HydrophobicContact CD2-CB 4.4Å; F30-A198 HydrophobicContact CE2-CB 3.45Å; F30-A198 VanDerWaalsContact CE2-CB 3.45Å; F30-A198 HydrophobicContact CZ-CB 3.97Å; L33-A198 HydrophobicContact CD2-CB 3.92Å; L178-A198 CarbonylContact C-O 3.53Å; L178-A198 WeakPolarHBondContact CA-O 3.43Å; G179-A198 PolarHBondContact N-O 3.25Å; G179-A198 PolarHBondContact O-N 3.22Å; A198-L210 CarbonylContact C-O 3.52Å; A198-L210 WeakPolarHBondContact CA-O 3.48Å; A198-N211 VanDerWaalsContact CB-OD1 3.3Å; A198-N211 WeakPolarHBondContact CB-OD1 3.27Å
199G95.4Very high92.1Very high16 Ų1660.2 Ų60.217%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-137.4138.4174.300000110.9V177 T209 L210V177-G199 CarbonylContact O-C 3.59Å; V177-G199 WeakPolarHBondContact O-CA 3.37Å; G199-T209 CarbonylContact O-C 3.51Å; G199-T209 VanDerWaalsContact O-CA 3.22Å; G199-T209 WeakPolarHBondContact O-CA 3.49Å; G199-L210 PolarHBondContact N-O 2.78Å; G199-L210 PolarHBondContact O-N 2.92Å
200K95.4Very high92.9Very high36 Ų3659.9 Ų59.916%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-130130.6172.2167.7175.772.6-177.40109.9P27 L33 L176 V177 V207 A208 T209P27-K200 PolarHBondContact O-NZ 2.67Å; L33-K200 HydrophobicContact CD1-CB 3.63Å; L33-K200 HydrophobicContact CD1-CD 4.05Å; L33-K200 HydrophobicContact CD1-CG 4.43Å; L33-K200 HydrophobicContact CG-CB 4.38Å; L176-K200 WeakPolarHBondContact CA-O 3.4Å; V177-K200 HydrophobicContact CB-CB 4.27Å; V177-K200 PolarHBondContact N-O 3.44Å; V177-K200 PolarHBondContact O-N 2.85Å; K200-V207 HydrophobicContact CD-CG1 4.23Å; K200-V207 HydrophobicContact CG-CG1 4.04Å; K200-A208 CarbonylContact C-O 3.46Å; K200-A208 WeakPolarHBondContact CA-O 3.5Å; K200-T209 HydrophobicContact CB-CG2 3.89Å; K200-T209 HydrophobicContact CD-CG2 4.26Å; K200-T209 HydrophobicContact CG-CG2 3.87Å
201Y95.1Very high93.4Very high91 Ų9155.5 Ų55.536%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-118.5113.5172.5-171.8-90.9000109.8R175 L176 A203 W206 V207 A208R175-Y201 HydrophobicContact CB-CE2 4.13Å; R175-Y201 CarbonylContact O-C 3.5Å; R175-Y201 WeakPolarHBondContact O-CA 3.34Å; L176-Y201 HydrophobicContact CB-CD2 4.48Å; L176-Y201 HydrophobicContact CD1-CD2 4.2Å; Y201-A203 HydrophobicContact CE1-CB 4.24Å; Y201-W206 HydrophobicContact CD1-CE3 4.47Å; Y201-W206 AromaticContact CD1-CH2 3.27Å; Y201-W206 HydrophobicContact CD1-CH2 3.27Å; Y201-W206 HydrophobicContact CD1-CZ2 4.1Å; Y201-W206 AromaticContact CD1-CZ3 3.5Å; Y201-W206 HydrophobicContact CD1-CZ3 3.5Å; Y201-W206 VanDerWaalsContact CD1-CZ3 3.5Å; Y201-W206 AromaticContact CE1-CH2 3.4Å; Y201-W206 HydrophobicContact CE1-CH2 3.4Å; Y201-W206 VanDerWaalsContact CE1-CH2 3.4Å; Y201-W206 AromaticContact CE1-CZ2 3.81Å; Y201-W206 HydrophobicContact CE1-CZ2 3.81Å; Y201-W206 HydrophobicContact CE1-CZ3 4.09Å; Y201-W206 HydrophobicContact CG-CH2 4.44Å; Y201-V207 WeakPolarHBondContact O-CA 3.14Å; Y201-A208 PolarHBondContact N-O 3.48Å; Y201-A208 PolarHBondContact O-N 3.25Å
202S93.8Very high93.7Very high40 Ų4053 Ų5328%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-102.4114.1179.8-620000110.6R175R175-S202 VanDerWaalsContact CB-O 3.24Å; R175-S202 WeakPolarHBondContact CB-O 2.97Å; R175-S202 VanDerWaalsContact CG-O 3.25Å; R175-S202 WeakPolarHBondContact CG-O 3.3Å; R175-S202 PolarHBondContact O-N 3.32Å
203A92.2Very high93.9Very high25 Ų2553 Ų5321%0.20730%0.3CS..  trans-101-179.3167.900000110.7Y201 H205 W206Y201-A203 HydrophobicContact CE1-CB 4.24Å; A203-H205 PolarHBondContact O-N 2.86Å; A203-W206 CarbonylContact C-O 3.58Å; A203-W206 WeakPolarHBondContact CA-O 3.35Å; A203-W206 HydrophobicContact CB-CD2 3.7Å; A203-W206 VanDerWaalsContact CB-CE2 3.41Å; A203-W206 HydrophobicContact CB-CE3 4.35Å; A203-W206 HydrophobicContact CB-CG 3.98Å; A203-W206 HydrophobicContact CB-CZ2 3.86Å; A203-W206 WeakPolarHBondContact CB-O 3.4Å; A203-W206 PolarHBondContact N-O 3.16Å
204V88.9Confident93.7Very high113 Ų11353.4 Ų53.469%0.68530%0.299SS*.SBendtrans-65-38.8-176.3-177.40000112.4
205H91.6Very high93.3Very high120 Ų12053 Ų5356%0.55630%0.303SS*.SBendtrans-117.6-7.3-175.1-61.2-63.3000113.9A203 R224A203-H205 PolarHBondContact O-N 2.86Å; H205-R224 PolarHBondContact O-N 2.78Å
206W93.8Very high93.2Very high83 Ų8349 Ų4931%0.31429%0.286SS..EExtended strand (participates in β ladder)trans-146.2153.6-176.261.5-93.5000112Y201 A203 A208 Y221 Y222 H223Y201-W206 HydrophobicContact CD1-CE3 4.47Å; Y201-W206 AromaticContact CD1-CH2 3.27Å; Y201-W206 HydrophobicContact CD1-CH2 3.27Å; Y201-W206 HydrophobicContact CD1-CZ2 4.1Å; Y201-W206 AromaticContact CD1-CZ3 3.5Å; Y201-W206 HydrophobicContact CD1-CZ3 3.5Å; Y201-W206 VanDerWaalsContact CD1-CZ3 3.5Å; Y201-W206 AromaticContact CE1-CH2 3.4Å; Y201-W206 HydrophobicContact CE1-CH2 3.4Å; Y201-W206 VanDerWaalsContact CE1-CH2 3.4Å; Y201-W206 AromaticContact CE1-CZ2 3.81Å; Y201-W206 HydrophobicContact CE1-CZ2 3.81Å; Y201-W206 HydrophobicContact CE1-CZ3 4.09Å; Y201-W206 HydrophobicContact CG-CH2 4.44Å; A203-W206 CarbonylContact C-O 3.58Å; A203-W206 WeakPolarHBondContact CA-O 3.35Å; A203-W206 HydrophobicContact CB-CD2 3.7Å; A203-W206 VanDerWaalsContact CB-CE2 3.41Å; A203-W206 HydrophobicContact CB-CE3 4.35Å; A203-W206 HydrophobicContact CB-CG 3.98Å; A203-W206 HydrophobicContact CB-CZ2 3.86Å; A203-W206 WeakPolarHBondContact CB-O 3.4Å; A203-W206 PolarHBondContact N-O 3.16Å; W206-A208 HydrophobicContact CE3-CB 4.14Å; W206-A208 HydrophobicContact CZ3-CB 3.73Å; W206-Y221 HydrophobicContact CB-CE2 3.98Å; W206-Y221 WeakPolarHBondContact CB-OH 3.36Å; W206-Y221 AromaticContact CD2-CE2 3.92Å; W206-Y221 HydrophobicContact CD2-CE2 3.92Å; W206-Y221 HydrophobicContact CE3-CD2 4.27Å; W206-Y221 AromaticContact CE3-CE2 3.59Å; W206-Y221 HydrophobicContact CE3-CE2 3.59Å; W206-Y221 HydrophobicContact CG-CE2 4.12Å; W206-Y221 HydrophobicContact CZ3-CE2 4.32Å; W206-Y222 CarbonylContact C-O 3.51Å; W206-Y222 WeakPolarHBondContact CA-O 3.35Å; W206-Y222 VanDerWaalsContact CB-O 3.25Å; W206-Y222 WeakPolarHBondContact CB-O 3.35Å; W206-H223 HydrophobicContact CB-CB 4.29Å
207V95.3Very high93.2Very high18 Ų1849.4 Ų49.411%0.10929%0.291CS..EExtended strand (participates in β ladder)trans-132.7127.4177.9-178.20000107.5L36 K200 Y201 T209 Y222L36-V207 HydrophobicContact CD1-CG2 4.09Å; K200-V207 HydrophobicContact CD-CG1 4.23Å; K200-V207 HydrophobicContact CG-CG1 4.04Å; Y201-V207 WeakPolarHBondContact O-CA 3.14Å; V207-T209 HydrophobicContact CG1-CG2 4.09Å; V207-Y222 HydrophobicContact CG2-CD1 4.46Å; V207-Y222 PolarHBondContact N-O 2.87Å; V207-Y222 PolarHBondContact O-N 3.47Å
208A96.1Very high93.1Very high30 Ų3045.5 Ų45.525%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-113.2135.2173.100000109.3K200 Y201 W206 S220 Y221K200-A208 CarbonylContact C-O 3.46Å; K200-A208 WeakPolarHBondContact CA-O 3.5Å; Y201-A208 PolarHBondContact N-O 3.48Å; Y201-A208 PolarHBondContact O-N 3.25Å; W206-A208 HydrophobicContact CE3-CB 4.14Å; W206-A208 HydrophobicContact CZ3-CB 3.73Å; A208-S220 CarbonylContact C-O 3.51Å; A208-S220 WeakPolarHBondContact CA-O 3.43Å; A208-Y221 HydrophobicContact CB-CD2 4.15Å
209T96Very high93.1Very high7 Ų746.7 Ų46.74%0.04328%0.28CS..EExtended strand (participates in β ladder)trans-131.3148.617669.90000110.7L33 H34 G199 K200 V207 A219 S220L33-T209 HydrophobicContact CG-CG2 4.04Å; L33-T209 VanDerWaalsContact O-CG2 3.27Å; L33-T209 WeakPolarHBondContact O-CG2 3.13Å; H34-T209 PolarHBondContact CE1-OG1 2.86Å; H34-T209 PolarHBondContact ND1-OG1 3.02Å; G199-T209 CarbonylContact O-C 3.51Å; G199-T209 VanDerWaalsContact O-CA 3.22Å; G199-T209 WeakPolarHBondContact O-CA 3.49Å; K200-T209 HydrophobicContact CB-CG2 3.89Å; K200-T209 HydrophobicContact CD-CG2 4.26Å; K200-T209 HydrophobicContact CG-CG2 3.87Å; V207-T209 HydrophobicContact CG1-CG2 4.09Å; T209-A219 CarbonylContact O-C 3.59Å; T209-A219 WeakPolarHBondContact O-CA 3.36Å; T209-S220 PolarHBondContact N-O 2.81Å; T209-S220 PolarHBondContact O-N 2.87Å; T209-S220 PolarHBondContact OG1-OG 2.88Å
210L95.9Very high93.2Very high87 Ų8746.3 Ų46.346%0.45528%0.275SS..EExtended strand (participates in β ladder)trans-146122.1-176.4176.766000109.4A198 G199 V212 H218 A219A198-L210 CarbonylContact C-O 3.52Å; A198-L210 WeakPolarHBondContact CA-O 3.48Å; G199-L210 PolarHBondContact N-O 2.78Å; G199-L210 PolarHBondContact O-N 2.92Å; L210-V212 HydrophobicContact CD1-CG2 3.74Å; L210-V212 HydrophobicContact CD2-CG2 4.13Å; L210-V212 HydrophobicContact CG-CG2 3.81Å; L210-H218 CarbonylContact C-O 3.47Å; L210-H218 WeakPolarHBondContact CA-O 3.45Å; L210-A219 HydrophobicContact CD1-CB 3.85Å
211N94.8Very high93.2Very high18 Ų1848.7 Ų48.710%0.09628%0.283CS..EExtended strand (participates in β ladder)trans-114.3126.4171-72.816.4000108.4L33 H34 T196 L197 A198 A217 H218L33-N211 WeakPolarHBondContact CD2-OD1 3.35Å; H34-N211 PolarHBondContact NE2-ND2 2.94Å; H34-N211 PolarHBondContact NE2-OD1 2.92Å; T196-N211 HydrophobicContact CG2-CB 4.07Å; L197-N211 CarbonylContact O-C 3.49Å; L197-N211 VanDerWaalsContact O-CA 3.27Å; L197-N211 WeakPolarHBondContact O-CA 3.25Å; A198-N211 VanDerWaalsContact CB-OD1 3.3Å; A198-N211 WeakPolarHBondContact CB-OD1 3.27Å; N211-A217 CarbonylContact O-C 3.6Å; N211-A217 VanDerWaalsContact O-CA 3.27Å; N211-A217 WeakPolarHBondContact O-CA 3.44Å; N211-H218 HydrophobicContact CB-CB 4.38Å; N211-H218 PolarHBondContact N-O 2.82Å; N211-H218 PolarHBondContact O-N 2.88Å
212V95.1Very high93.3Very high69 Ų6945.7 Ų45.742%0.41827%0.271SS..EExtended strand (participates in β ladder)trans-134.2122.2179.11800000108.6L197 L210 A217L197-V212 PolarHBondContact N-O 2.91Å; L197-V212 PolarHBondContact O-N 2.78Å; L210-V212 HydrophobicContact CD1-CG2 3.74Å; L210-V212 HydrophobicContact CD2-CG2 4.13Å; L210-V212 HydrophobicContact CG-CG2 3.81Å; V212-A217 HydrophobicContact CG2-CB 4.1Å
213G91.8Very high93.4Very high19 Ų1946.5 Ų46.520%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-142.3-178.3176.900000111.4L195 G215 G216L195-G213 VanDerWaalsContact O-CA 3.3Å; L195-G213 WeakPolarHBondContact O-CA 3.25Å; G213-G215 PolarHBondContact O-N 2.83Å; G213-G216 PolarHBondContact N-O 2.78Å; G213-G216 PolarHBondContact O-N 2.87Å; G213-G216 VanDerWaalsContact O-O 3.1Å
214S86.1Confident93.5Very high79 Ų7950.6 Ų50.655%0.55228%0.281SS*.THydrogen-bonded Turntrans-65.3-19.7177.961.40000113.6
215G83.1Confident93.5Very high24 Ų2448.2 Ų48.225%0.24727%0.273CS..THydrogen-bonded Turntrans-83.5-19.5177.300000114.8G213 T239G213-G215 PolarHBondContact O-N 2.83Å; G215-T239 PolarHBondContact O-N 2.8Å; G215-T239 VanDerWaalsContact O-N 3.13Å
216G91.3Very high93.4Very high17 Ų1747.1 Ų47.118%0.17527%0.271CS..EExtended strand (participates in β ladder)trans155.9-176.4-172.600000113.9G213 A237G213-G216 PolarHBondContact N-O 2.78Å; G213-G216 PolarHBondContact O-N 2.87Å; G213-G216 VanDerWaalsContact O-O 3.1Å; G216-A237 CarbonylContact C-O 3.51Å; G216-A237 WeakPolarHBondContact CA-O 3.37Å
217A93.6Very high93.1Very high28 Ų2850.4 Ų50.423%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-125.6136.917400000110.1N211 V212 A237N211-A217 CarbonylContact O-C 3.6Å; N211-A217 VanDerWaalsContact O-CA 3.27Å; N211-A217 WeakPolarHBondContact O-CA 3.44Å; V212-A217 HydrophobicContact CG2-CB 4.1Å; A217-A237 HydrophobicContact CB-CB 4.46Å; A217-A237 PolarHBondContact N-O 2.81Å; A217-A237 PolarHBondContact O-N 2.85Å
218H94.9Very high92.9Very high31 Ų3153.7 Ų53.714%0.14430%0.304CS..EExtended strand (participates in β ladder)trans-130113.4176.4-178.7-140000109H34 L210 N211 E234 F235H34-H218 AromaticContact CD2-CE1 3.81Å; H34-H218 AromaticContact CD2-ND1 3.53Å; H34-H218 AromaticContact CE1-CE1 3.62Å; H34-H218 AromaticContact CE1-CG 3.9Å; H34-H218 AromaticContact CE1-ND1 3.25Å; H34-H218 PolarHBondContact CE1-ND1 3.14Å; H34-H218 AromaticContact CG-CE1 3.45Å; H34-H218 VanDerWaalsContact CG-CE1 3.45Å; H34-H218 AromaticContact CG-ND1 3.64Å; H34-H218 AromaticContact ND1-CE1 3.34Å; H34-H218 PolarHBondContact ND1-CE1 2.64Å; H34-H218 VanDerWaalsContact ND1-CE1 3.34Å; H34-H218 AromaticContact ND1-ND1 3.48Å; H34-H218 PolarHBondContact ND1-ND1 2.95Å; H34-H218 AromaticContact NE2-CE1 3.94Å; H34-H218 AromaticContact NE2-ND1 3.32Å; H34-H218 PolarHBondContact NE2-ND1 2.86Å; L210-H218 CarbonylContact C-O 3.47Å; L210-H218 WeakPolarHBondContact CA-O 3.45Å; N211-H218 HydrophobicContact CB-CB 4.38Å; N211-H218 PolarHBondContact N-O 2.82Å; N211-H218 PolarHBondContact O-N 2.88Å; H218-E234 IonicContact CD2-OE1 3.6Å; H218-E234 IonicContact CE1-OE1 3.75Å; H218-E234 PolarHBondContact CE1-OE1 2.93Å; H218-E234 VanDerWaalsContact CE1-OE1 3.25Å; H218-E234 VanDerWaalsContact NE2-CG 3.34Å; H218-E234 WeakPolarHBondContact NE2-CG 3.3Å; H218-E234 IonicContact NE2-OE1 3.87Å; H218-E234 PolarHBondContact NE2-OE1 2.79Å; H218-F235 CarbonylContact C-O 3.56Å; H218-F235 WeakPolarHBondContact CA-O 3.43Å; H218-F235 PolarHBondContact CD2-O 2.78Å
219A95.9Very high92.8Very high29 Ų2954.5 Ų54.524%0.2431%0.306CS..EExtended strand (participates in β ladder)trans-115138.1178.800000109.5T209 L210 F235T209-A219 CarbonylContact O-C 3.59Å; T209-A219 WeakPolarHBondContact O-CA 3.36Å; L210-A219 HydrophobicContact CD1-CB 3.85Å; A219-F235 HydrophobicContact CB-CB 4.38Å; A219-F235 HydrophobicContact CB-CD1 4.48Å; A219-F235 PolarHBondContact N-O 2.82Å; A219-F235 PolarHBondContact O-N 2.85Å
220S96.1Very high92.8Very high8 Ų856.1 Ų56.16%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-135.3142.5173.380.20000112.1H34 A208 T209 V233H34-S220 WeakPolarHBondContact ND1-CB 3.42Å; H34-S220 PolarHBondContact ND1-OG 2.73Å; A208-S220 CarbonylContact C-O 3.51Å; A208-S220 WeakPolarHBondContact CA-O 3.43Å; T209-S220 PolarHBondContact N-O 2.81Å; T209-S220 PolarHBondContact O-N 2.87Å; T209-S220 PolarHBondContact OG1-OG 2.88Å; S220-V233 CarbonylContact C-O 3.56Å; S220-V233 VanDerWaalsContact CA-O 3.29Å; S220-V233 WeakPolarHBondContact CA-O 3.27Å
221Y96.6Very high92.8Very high87 Ų8753.6 Ų53.634%0.34130%0.301SS..EExtended strand (participates in β ladder)trans-129.5113.8179.7179.4-99.2000109.1W206 A208 H223 G232 V233W206-Y221 HydrophobicContact CB-CE2 3.98Å; W206-Y221 WeakPolarHBondContact CB-OH 3.36Å; W206-Y221 AromaticContact CD2-CE2 3.92Å; W206-Y221 HydrophobicContact CD2-CE2 3.92Å; W206-Y221 HydrophobicContact CE3-CD2 4.27Å; W206-Y221 AromaticContact CE3-CE2 3.59Å; W206-Y221 HydrophobicContact CE3-CE2 3.59Å; W206-Y221 HydrophobicContact CG-CE2 4.12Å; W206-Y221 HydrophobicContact CZ3-CE2 4.32Å; A208-Y221 HydrophobicContact CB-CD2 4.15Å; Y221-H223 HydrophobicContact CD1-CB 4.42Å; Y221-H223 HydrophobicContact CE1-CB 3.64Å; Y221-H223 AromaticContact CZ-ND1 3.99Å; Y221-H223 PolarHBondContact OH-ND1 2.81Å; Y221-H223 VanDerWaalsContact OH-ND1 3.09Å; Y221-G232 CarbonylContact O-C 3.54Å; Y221-G232 WeakPolarHBondContact O-CA 3.36Å; Y221-V233 PolarHBondContact N-O 2.82Å; Y221-V233 PolarHBondContact O-N 3.22Å
222Y96.6Very high92.9Very high27 Ų2752.7 Ų52.711%0.10630%0.297CS..EExtended strand (participates in β ladder)trans-103.9134.6174.9172.1-97.8000109.6L36 V40 W206 V207 R224 Q230L36-Y222 HydrophobicContact CB-CD1 4.44Å; L36-Y222 HydrophobicContact CB-CD2 4.34Å; L36-Y222 HydrophobicContact CB-CG 4.13Å; L36-Y222 VanDerWaalsContact O-CD2 3.28Å; L36-Y222 WeakPolarHBondContact O-CD2 3.48Å; V40-Y222 HydrophobicContact CG2-CD2 3.71Å; V40-Y222 HydrophobicContact CG2-CE2 3.64Å; W206-Y222 CarbonylContact C-O 3.51Å; W206-Y222 WeakPolarHBondContact CA-O 3.35Å; W206-Y222 VanDerWaalsContact CB-O 3.25Å; W206-Y222 WeakPolarHBondContact CB-O 3.35Å; V207-Y222 HydrophobicContact CG2-CD1 4.46Å; V207-Y222 PolarHBondContact N-O 2.87Å; V207-Y222 PolarHBondContact O-N 3.47Å; Y222-R224 HydrophobicContact CE1-CB 4.15Å; Y222-Q230 HydrophobicContact CE2-CB 4.07Å; Y222-Q230 PolarHBondContact OH-OE1 2.81Å
223H95.4Very high92.9Very high58 Ų5850.9 Ų50.927%0.26929%0.285SS..EExtended strand (participates in β ladder)trans-138.3123.9176.8-170.598000111.1W206 Y221 A225 V231W206-H223 HydrophobicContact CB-CB 4.29Å; Y221-H223 HydrophobicContact CD1-CB 4.42Å; Y221-H223 HydrophobicContact CE1-CB 3.64Å; Y221-H223 AromaticContact CZ-ND1 3.99Å; Y221-H223 PolarHBondContact OH-ND1 2.81Å; Y221-H223 VanDerWaalsContact OH-ND1 3.09Å; H223-A225 PolarHBondContact CD2-N 2.89Å; H223-A225 PolarHBondContact O-N 2.8Å; H223-V231 PolarHBondContact N-O 2.82Å; H223-V231 PolarHBondContact O-N 2.78Å
224R94Very high93.1Very high110 Ų11051.4 Ų51.442%0.41528%0.283SS..EExtended strand (participates in β ladder)trans-95.695.2173.2-175.6172.1-176.7-172.3-0.1109.2H205 Y222 N226 Q230H205-R224 PolarHBondContact O-N 2.78Å; Y222-R224 HydrophobicContact CE1-CB 4.15Å; R224-N226 WeakPolarHBondContact CG-O 3.36Å; R224-Q230 HydrophobicContact CG-CG 4.26Å
225A89.5Confident93.6Very high63 Ų6351.5 Ų51.552%0.52127%0.273SS..  trans-70.8-39.2-179.200000111.9H223 V229H223-A225 PolarHBondContact CD2-N 2.89Å; H223-A225 PolarHBondContact O-N 2.8Å; A225-V229 HydrophobicContact CB-CB 4.5Å; A225-V229 HydrophobicContact CB-CG1 4.4Å; A225-V229 PolarHBondContact N-O 2.71Å; A225-V229 VanDerWaalsContact N-O 3.16Å
226N89.9Confident94.1Very high97 Ų9755 Ų5552%0.51928%0.283SS..SBendtrans-151.1177.4176.6-159.6-0.8000110.5R224 Q228 V229R224-N226 WeakPolarHBondContact CG-O 3.36Å; N226-Q228 PolarHBondContact O-N 3.03Å; N226-V229 PolarHBondContact N-O 2.83Å; N226-V229 VanDerWaalsContact N-O 3.15Å; N226-V229 PolarHBondContact O-N 3.2Å; N226-V229 VanDerWaalsContact O-O 3.04Å
227E86.8Confident94.2Very high152 Ų15255.1 Ų55.171%0.7128%0.282SS*.SBendtrans-62.1-29174.2-65.1-166.6158.700112.9
228Q91Very high94.1Very high88 Ų8856.1 Ų56.141%0.41128%0.284SS..SBendtrans-91.1-24.5-180-65177.3-15.800113.4N226 L252 T253N226-Q228 PolarHBondContact O-N 3.03Å; Q228-L252 CarbonylContact O-C 3.56Å; Q228-L252 WeakPolarHBondContact O-CA 3.33Å; Q228-T253 WeakPolarHBondContact CB-O 3.36Å; Q228-T253 PolarHBondContact O-N 2.93Å
229V94.2Very high93.7Very high47 Ų4759.1 Ų59.129%0.28531%0.305SS..EExtended strand (participates in β ladder)trans-124.6124-168.4-177.50000110.7A225 N226 V231 L252A225-V229 HydrophobicContact CB-CB 4.5Å; A225-V229 HydrophobicContact CB-CG1 4.4Å; A225-V229 PolarHBondContact N-O 2.71Å; A225-V229 VanDerWaalsContact N-O 3.16Å; N226-V229 PolarHBondContact N-O 2.83Å; N226-V229 VanDerWaalsContact N-O 3.15Å; N226-V229 PolarHBondContact O-N 3.2Å; N226-V229 VanDerWaalsContact O-O 3.04Å; V229-V231 HydrophobicContact CG1-CG2 4.36Å; V229-L252 HydrophobicContact CG2-CD1 3.59Å
230Q95.6Very high93.2Very high41 Ų4166.1 Ų66.119%0.19233%0.325CS..EExtended strand (participates in β ladder)trans-126.5143.6173.3-53.8176.118.600108.9V40 Y222 R224 Y250 H251V40-Q230 HydrophobicContact CG2-CB 4.36Å; Y222-Q230 HydrophobicContact CE2-CB 4.07Å; Y222-Q230 PolarHBondContact OH-OE1 2.81Å; R224-Q230 HydrophobicContact CG-CG 4.26Å; Q230-Y250 CarbonylContact O-C 3.53Å; Q230-Y250 WeakPolarHBondContact O-CA 3.46Å; Q230-H251 HydrophobicContact CB-CB 4.28Å; Q230-H251 PolarHBondContact N-O 2.84Å; Q230-H251 PolarHBondContact O-N 3.1Å
231V96.5Very high92.8Very high33 Ų3371.3 Ų71.320%0.235%0.351CS..EExtended strand (participates in β ladder)trans-127.9140.2-177.7-179.40000108.3H223 V229 F248H223-V231 PolarHBondContact N-O 2.82Å; H223-V231 PolarHBondContact O-N 2.78Å; V229-V231 HydrophobicContact CG1-CG2 4.36Å; V231-F248 HydrophobicContact CG1-CD2 4.39Å; V231-F248 HydrophobicContact CG1-CE2 3.47Å; V231-F248 VanDerWaalsContact CG1-CE2 3.47Å; V231-F248 HydrophobicContact CG1-CZ 3.68Å
232G96.4Very high92.4Very high0 Ų075.3 Ų75.30%037%0.373CS..EExtended strand (participates in β ladder)trans-131.8137.4178.800000109.5Y221 G249Y221-G232 CarbonylContact O-C 3.54Å; Y221-G232 WeakPolarHBondContact O-CA 3.36Å; G232-G249 PolarHBondContact N-O 2.84Å; G232-G249 PolarHBondContact O-N 2.81Å; G232-G249 VanDerWaalsContact O-O 3.12Å
233V96.6Very high92.1Very high30 Ų3078.8 Ų78.818%0.18239%0.393CS..EExtended strand (participates in β ladder)trans-128.7129173.8-174.60000107.8C37 S220 Y221 F246 S247 F248C37-V233 PolarHBondContact SG-N 3.19Å; C37-V233 PolarHBondContact SG-O 2.98Å; C37-V233 VanDerWaalsContact SG-O 3.39Å; S220-V233 CarbonylContact C-O 3.56Å; S220-V233 VanDerWaalsContact CA-O 3.29Å; S220-V233 WeakPolarHBondContact CA-O 3.27Å; Y221-V233 PolarHBondContact N-O 2.82Å; Y221-V233 PolarHBondContact O-N 3.22Å; V233-F246 HydrophobicContact CG1-CD2 4.32Å; V233-F246 HydrophobicContact CG1-CE1 4.26Å; V233-F246 HydrophobicContact CG1-CE2 3.33Å; V233-F246 HydrophobicContact CG1-CZ 3.3Å; V233-S247 WeakPolarHBondContact CA-O 3.03Å; V233-F248 HydrophobicContact CG2-CD2 3.86Å; V233-F248 HydrophobicContact CG2-CE2 4.32Å
234E95.8Very high92Very high31 Ų3180.3 Ų80.315%0.14541%0.407CS..EExtended strand (participates in β ladder)trans-125.2131.8-178.9-171.8167.7-159.200108.9F41 H218 S247F41-E234 HydrophobicContact CE2-CB 3.92Å; F41-E234 WeakPolarHBondContact CE2-OE2 3.07Å; F41-E234 HydrophobicContact CZ-CB 3.75Å; H218-E234 IonicContact CD2-OE1 3.6Å; H218-E234 IonicContact CE1-OE1 3.75Å; H218-E234 PolarHBondContact CE1-OE1 2.93Å; H218-E234 VanDerWaalsContact CE1-OE1 3.25Å; H218-E234 VanDerWaalsContact NE2-CG 3.34Å; H218-E234 WeakPolarHBondContact NE2-CG 3.3Å; H218-E234 IonicContact NE2-OE1 3.87Å; H218-E234 PolarHBondContact NE2-OE1 2.79Å; E234-S247 PolarHBondContact N-O 2.79Å; E234-S247 PolarHBondContact O-N 3.48Å
235F95.6Very high92Very high81 Ų8176.9 Ų76.936%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-125.8118.7175.3173.9-103.1000108.2H218 A219 A237 T244 T245 F246H218-F235 CarbonylContact C-O 3.56Å; H218-F235 WeakPolarHBondContact CA-O 3.43Å; H218-F235 PolarHBondContact CD2-O 2.78Å; A219-F235 HydrophobicContact CB-CB 4.38Å; A219-F235 HydrophobicContact CB-CD1 4.48Å; A219-F235 PolarHBondContact N-O 2.82Å; A219-F235 PolarHBondContact O-N 2.85Å; F235-A237 HydrophobicContact CE1-CB 3.81Å; F235-A237 HydrophobicContact CZ-CB 3.89Å; F235-T244 HydrophobicContact CZ-CG2 4.47Å; F235-T245 WeakPolarHBondContact CA-O 3.47Å; F235-F246 HydrophobicContact CB-CD2 4.33Å; F235-F246 HydrophobicContact CD2-CB 4.44Å; F235-F246 HydrophobicContact CD2-CD2 4.24Å
236E94.4Very high92.3Very high97 Ų9778.8 Ų78.845%0.45340%0.395SS..EExtended strand (participates in β ladder)trans-120.4125.9178.4-171.3-17917500108.8T244 T245E236-T244 CarbonylContact O-C 3.55Å; E236-T244 WeakPolarHBondContact O-CA 3.47Å; E236-T245 PolarHBondContact N-O 2.93Å; E236-T245 PolarHBondContact O-N 2.78Å; E236-T245 PolarHBondContact O-OG1 2.82Å
237A93.7Very high92.5Very high19 Ų1975 Ų7516%0.15738%0.377CS..EExtended strand (participates in β ladder)trans-124.7116.5178.500000108.5G216 A217 F235 T244G216-A237 CarbonylContact C-O 3.51Å; G216-A237 WeakPolarHBondContact CA-O 3.37Å; A217-A237 HydrophobicContact CB-CB 4.46Å; A217-A237 PolarHBondContact N-O 2.81Å; A217-A237 PolarHBondContact O-N 2.85Å; F235-A237 HydrophobicContact CE1-CB 3.81Å; F235-A237 HydrophobicContact CZ-CB 3.89Å; A237-T244 HydrophobicContact CB-CG2 3.96Å
238N90.6Very high93Very high49 Ų4971.7 Ų71.726%0.26236%0.36SS..EExtended strand (participates in β ladder)trans-102114.3179.1-171.6-39.3000109.8R240 L241 Q242 D243N238-R240 VanDerWaalsContact C-N 3.3Å; N238-R240 PolarHBondContact O-N 2.92Å; N238-R240 WeakPolarHBondContact OD1-CB 3.44Å; N238-R240 PolarHBondContact OD1-N 2.83Å; N238-L241 HydrophobicContact CB-CB 4.33Å; N238-L241 PolarHBondContact OD1-N 2.76Å; N238-L241 VanDerWaalsContact OD1-N 3.13Å; N238-Q242 VanDerWaalsContact O-CA 3.28Å; N238-Q242 WeakPolarHBondContact O-CA 3.36Å; N238-Q242 PolarHBondContact O-N 2.99Å; N238-D243 PolarHBondContact N-O 3.22Å; N238-D243 PolarHBondContact O-N 2.79Å
239T87.3Confident93.2Very high94 Ų9467.5 Ų67.558%0.57734%0.34SS*.THydrogen-bonded Turntrans-70.2-29.3-177.2-53.80000112.3G215G215-T239 PolarHBondContact O-N 2.8Å; G215-T239 VanDerWaalsContact O-N 3.13Å
240R84Confident93.3Very high176 Ų17669.4 Ų69.466%0.66434%0.343SS*.THydrogen-bonded Turntrans-75.2-44.4-178.6-63.1-177.8178.2-168.5-2112N238N238-R240 VanDerWaalsContact C-N 3.3Å; N238-R240 PolarHBondContact O-N 2.92Å; N238-R240 WeakPolarHBondContact OD1-CB 3.44Å; N238-R240 PolarHBondContact OD1-N 2.83Å
241L87.3Confident93.3Very high117 Ų11768.4 Ų68.461%0.61334%0.338SS*.THydrogen-bonded Turntrans-84.5-13.8178.7-64.2176.9000112.7N238 D243N238-L241 HydrophobicContact CB-CB 4.33Å; N238-L241 PolarHBondContact OD1-N 2.76Å; N238-L241 VanDerWaalsContact OD1-N 3.13Å; L241-D243 HydrophobicContact CB-CB 4.22Å; L241-D243 PolarHBondContact O-N 2.57Å
242Q88.8Confident93.2Very high172 Ų17269.2 Ų69.280%0.80434%0.341SS*.THydrogen-bonded Turntrans56.327.4-170.9-58.3-175.7-25.700113N238N238-Q242 VanDerWaalsContact O-CA 3.28Å; N238-Q242 WeakPolarHBondContact O-CA 3.36Å; N238-Q242 PolarHBondContact O-N 2.99Å
243D90.8Very high93.1Very high99 Ų9971.1 Ų71.153%0.52935%0.353SS..EExtended strand (participates in β ladder)trans-97.8139.8178.7-78.1-23.3000110.1N238 L241N238-D243 PolarHBondContact N-O 3.22Å; N238-D243 PolarHBondContact O-N 2.79Å; L241-D243 HydrophobicContact CB-CB 4.22Å; L241-D243 PolarHBondContact O-N 2.57Å
244T93.4Very high92.9Very high90 Ų9072.4 Ų72.455%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-127.9130.5173.457.80000108.9F235 E236 A237F235-T244 HydrophobicContact CZ-CG2 4.47Å; E236-T244 CarbonylContact O-C 3.55Å; E236-T244 WeakPolarHBondContact O-CA 3.47Å; A237-T244 HydrophobicContact CB-CG2 3.96Å
245T93.3Very high92.5Very high38 Ų3874.7 Ų74.723%0.23338%0.376CS..EExtended strand (participates in β ladder)trans-125.4136.3178.955.60000109.2F235 E236F235-T245 WeakPolarHBondContact CA-O 3.47Å; E236-T245 PolarHBondContact N-O 2.93Å; E236-T245 PolarHBondContact O-N 2.78Å; E236-T245 PolarHBondContact O-OG1 2.82Å
246F95.4Very high92.1Very high103 Ų10380 Ų8045%0.45240%0.402SS..EExtended strand (participates in β ladder)trans-127.2114.8178.1178.8-89.1000108.7V233 F235 F248 D266 S267V233-F246 HydrophobicContact CG1-CD2 4.32Å; V233-F246 HydrophobicContact CG1-CE1 4.26Å; V233-F246 HydrophobicContact CG1-CE2 3.33Å; V233-F246 HydrophobicContact CG1-CZ 3.3Å; F235-F246 HydrophobicContact CB-CD2 4.33Å; F235-F246 HydrophobicContact CD2-CB 4.44Å; F235-F246 HydrophobicContact CD2-CD2 4.24Å; F246-F248 HydrophobicContact CE1-CB 4.47Å; F246-D266 VanDerWaalsContact C-OD1 3.28Å; F246-D266 CarbonylContact O-C 3.58Å; F246-D266 WeakPolarHBondContact O-CA 3.18Å; F246-S267 PolarHBondContact N-OG 2.83Å; F246-S267 PolarHBondContact O-N 2.79Å
247S95.5Very high91.8Very high19 Ų1977 Ų7713%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-117128.7-175.8-77.60000110.7V233 E234 D266V233-S247 WeakPolarHBondContact CA-O 3.03Å; E234-S247 PolarHBondContact N-O 2.79Å; E234-S247 PolarHBondContact O-N 3.48Å; S247-D266 VanDerWaalsContact OG-CG 3.26Å; S247-D266 PolarHBondContact OG-OD1 2.76Å
248F96.8Very high91.6Very high82 Ų8279.7 Ų79.736%0.3641%0.405SS..EExtended strand (participates in β ladder)trans-112126.1174.3176.2-89000109.5V231 V233 F246 Y250 L264 V265V231-F248 HydrophobicContact CG1-CD2 4.39Å; V231-F248 HydrophobicContact CG1-CE2 3.47Å; V231-F248 VanDerWaalsContact CG1-CE2 3.47Å; V231-F248 HydrophobicContact CG1-CZ 3.68Å; V233-F248 HydrophobicContact CG2-CD2 3.86Å; V233-F248 HydrophobicContact CG2-CE2 4.32Å; F246-F248 HydrophobicContact CE1-CB 4.47Å; F248-Y250 HydrophobicContact CE1-CD1 4.24Å; F248-L264 CarbonylContact O-C 3.54Å; F248-L264 WeakPolarHBondContact O-CA 3.39Å; F248-V265 PolarHBondContact N-O 3.4Å; F248-V265 PolarHBondContact O-N 2.83Å
249G95.8Very high91.7Very high0 Ų079.8 Ų79.80%041%0.405CS..EExtended strand (participates in β ladder)trans-127.9150.1-179.100000112.1F41 G232 G263F41-G249 VanDerWaalsContact CE1-N 3.32Å; G232-G249 PolarHBondContact N-O 2.84Å; G232-G249 PolarHBondContact O-N 2.81Å; G232-G249 VanDerWaalsContact O-O 3.12Å; G249-G263 CarbonylContact C-O 3.59Å; G249-G263 WeakPolarHBondContact CA-O 3.45Å
250Y95.6Very high92.1Very high86 Ų8676.7 Ų76.734%0.33739%0.386SS..EExtended strand (participates in β ladder)trans-138.5146.9169.969.9-86000111.2Q230 F248 F261 R262 G263Q230-Y250 CarbonylContact O-C 3.53Å; Q230-Y250 WeakPolarHBondContact O-CA 3.46Å; F248-Y250 HydrophobicContact CE1-CD1 4.24Å; Y250-F261 HydrophobicContact CD2-CD1 4.48Å; Y250-F261 HydrophobicContact CE1-CE1 4.47Å; Y250-F261 AromaticContact CE2-CD1 3.57Å; Y250-F261 HydrophobicContact CE2-CD1 3.57Å; Y250-F261 AromaticContact CE2-CE1 3.58Å; Y250-F261 HydrophobicContact CE2-CE1 3.58Å; Y250-F261 AromaticContact CZ-CD1 3.98Å; Y250-F261 AromaticContact CZ-CE1 3.47Å; Y250-F261 VanDerWaalsContact CZ-CE1 3.47Å; Y250-F261 WeakPolarHBondContact OH-CE1 3.19Å; Y250-R262 CarbonylContact O-C 3.57Å; Y250-R262 VanDerWaalsContact O-CA 3.31Å; Y250-R262 WeakPolarHBondContact O-CA 3.02Å; Y250-G263 PolarHBondContact N-O 2.88Å; Y250-G263 PolarHBondContact O-N 2.79Å
251H95.6Very high92.7Very high21 Ų2170.7 Ų70.710%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-125.9114.5-179.5173.9-137.6000108.6V40 Q230 V260 R262V40-H251 HydrophobicContact CB-CB 4.4Å; V40-H251 HydrophobicContact CG1-CB 3.83Å; Q230-H251 HydrophobicContact CB-CB 4.28Å; Q230-H251 PolarHBondContact N-O 2.84Å; Q230-H251 PolarHBondContact O-N 3.1Å; H251-V260 WeakPolarHBondContact NE2-CG1 3.37Å; H251-R262 HydrophobicContact CB-CG 4.32Å; H251-R262 VanDerWaalsContact CD2-CG 3.5Å; H251-R262 WeakPolarHBondContact CD2-CG 3.39Å; H251-R262 PolarHBondContact CD2-NE 3.04Å
252L94.9Very high93.1Very high50 Ų5068.1 Ų68.126%0.26235%0.346SS..EExtended strand (participates in β ladder)trans-112.9114.1-178.5-18069.8000109.1Q228 V229 L254 V260 F261Q228-L252 CarbonylContact O-C 3.56Å; Q228-L252 WeakPolarHBondContact O-CA 3.33Å; V229-L252 HydrophobicContact CG2-CD1 3.59Å; L252-L254 HydrophobicContact CD2-CD1 3.64Å; L252-L254 HydrophobicContact CG-CD1 3.63Å; L252-L254 HydrophobicContact CG-CG 4.39Å; L252-V260 WeakPolarHBondContact O-CA 3.27Å; L252-F261 HydrophobicContact CB-CB 4.39Å; L252-F261 PolarHBondContact N-O 2.96Å; L252-F261 PolarHBondContact O-N 3.47Å
253T93.9Very high93.4Very high39 Ų3960 Ų6024%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-101.2122.7173.3-59.80000109.1Q228 P255 V260Q228-T253 WeakPolarHBondContact CB-O 3.36Å; Q228-T253 PolarHBondContact O-N 2.93Å; T253-P255 HydrophobicContact CG2-CG 4.41Å; T253-P255 WeakPolarHBondContact O-CD 3.37Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å
254L91.9Very high93.7Very high57 Ų5756.4 Ų56.430%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-111.193.4173.4-66.7100.3000110.2L252 Q256 A257 N258 M259L252-L254 HydrophobicContact CD2-CD1 3.64Å; L252-L254 HydrophobicContact CG-CD1 3.63Å; L252-L254 HydrophobicContact CG-CG 4.39Å; L254-Q256 VanDerWaalsContact C-N 3.33Å; L254-Q256 PolarHBondContact O-N 3.13Å; L254-A257 HydrophobicContact CB-CB 4.26Å; L254-A257 CarbonylContact O-C 3.54Å; L254-A257 PolarHBondContact O-N 2.95Å; L254-N258 PolarHBondContact O-N 2.79Å; L254-N258 VanDerWaalsContact O-N 3.1Å; L254-M259 HydrophobicContact CD1-CE 3.77Å; L254-M259 PolarHBondContact N-O 3.21Å; L254-M259 PolarHBondContact O-N 3.26Å; L254-M259 VanDerWaalsContact O-N 3.15Å
255P88.2Confident93.8Very high79 Ų7955.6 Ų55.651%0.51328%0.284SS..G310 helixtrans-60.9-39.8-178.7-23.733.7000113.1T253 A257 N258T253-P255 HydrophobicContact CG2-CG 4.41Å; T253-P255 WeakPolarHBondContact O-CD 3.37Å; P255-A257 PolarHBondContact O-N 3.38Å; P255-N258 PolarHBondContact O-N 3.13Å; P255-N258 PolarHBondContact O-OD1 2.85Å
256Q87.1Confident93.8Very high193 Ų19354.9 Ų54.990%0.90228%0.279SS*.G310 helixtrans-60.4-31.5-179.6-66.8179-16.700112.8L254L254-Q256 VanDerWaalsContact C-N 3.33Å; L254-Q256 PolarHBondContact O-N 3.13Å
257A87.4Confident93.7Very high33 Ų3352.8 Ų52.827%0.27328%0.277SS..G310 helixtrans-100.64.5178.200000112.5L254 P255 M259 K277L254-A257 HydrophobicContact CB-CB 4.26Å; L254-A257 CarbonylContact O-C 3.54Å; L254-A257 PolarHBondContact O-N 2.95Å; P255-A257 PolarHBondContact O-N 3.38Å; A257-M259 HydrophobicContact CB-CB 4.01Å; A257-M259 PolarHBondContact O-N 3.24Å; A257-M259 VanDerWaalsContact O-N 3.15Å; A257-K277 WeakPolarHBondContact O-CD 3.37Å; A257-K277 WeakPolarHBondContact O-CE 3.48Å; A257-K277 PolarHBondContact O-NZ 2.9Å
258N90.9Very high93.5Very high77 Ų7755.6 Ų55.641%0.41229%0.291SS..THydrogen-bonded Turntrans47.841.3-174.2-66.2-49.1000112.9L254 P255 K278L254-N258 PolarHBondContact O-N 2.79Å; L254-N258 VanDerWaalsContact O-N 3.1Å; P255-N258 PolarHBondContact O-N 3.13Å; P255-N258 PolarHBondContact O-OD1 2.85Å; N258-K278 HydrophobicContact CB-CB 4.26Å; N258-K278 PolarHBondContact O-N 3.42Å
259M93Very high93.2Very high51 Ų5160 Ų6025%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-130.1139.9-167.4-170173.88600110.3L254 A257 L275 E276 K277L254-M259 HydrophobicContact CD1-CE 3.77Å; L254-M259 PolarHBondContact N-O 3.21Å; L254-M259 PolarHBondContact O-N 3.26Å; L254-M259 VanDerWaalsContact O-N 3.15Å; A257-M259 HydrophobicContact CB-CB 4.01Å; A257-M259 PolarHBondContact O-N 3.24Å; A257-M259 VanDerWaalsContact O-N 3.15Å; M259-L275 HydrophobicContact CE-CD1 4.1Å; M259-L275 HydrophobicContact CG-CD1 3.44Å; M259-L275 VanDerWaalsContact CG-CD1 3.44Å; M259-L275 HydrophobicContact CG-CG 4.49Å; M259-L275 HydrophobicContact SD-CD1 3.54Å; M259-L275 VanDerWaalsContact SD-CD1 3.54Å; M259-E276 CarbonylContact C-O 3.55Å; M259-E276 VanDerWaalsContact CA-O 3.31Å; M259-E276 WeakPolarHBondContact CA-O 3.32Å; M259-K277 HydrophobicContact CB-CD 4.2Å; M259-K277 HydrophobicContact CG-CD 4.44Å
260V94.7Very high93.1Very high29 Ų2961.8 Ų61.818%0.17632%0.317CS..EExtended strand (participates in β ladder)trans-126.5128.1175.8176.30000107.6H251 L252 T253 E276H251-V260 WeakPolarHBondContact NE2-CG1 3.37Å; L252-V260 WeakPolarHBondContact O-CA 3.27Å; T253-V260 HydrophobicContact CG2-CG2 4.25Å; V260-E276 HydrophobicContact CB-CB 4.29Å; V260-E276 PolarHBondContact N-O 2.87Å; V260-E276 PolarHBondContact O-N 2.88Å
261F95.7Very high93.1Very high50 Ų5060.7 Ų60.722%0.21932%0.319CS..EExtended strand (participates in β ladder)trans-119.9132.5177.3-177.2-82.1000109.3Y250 L252 A273 V274 L275Y250-F261 HydrophobicContact CD2-CD1 4.48Å; Y250-F261 HydrophobicContact CE1-CE1 4.47Å; Y250-F261 AromaticContact CE2-CD1 3.57Å; Y250-F261 HydrophobicContact CE2-CD1 3.57Å; Y250-F261 AromaticContact CE2-CE1 3.58Å; Y250-F261 HydrophobicContact CE2-CE1 3.58Å; Y250-F261 AromaticContact CZ-CD1 3.98Å; Y250-F261 AromaticContact CZ-CE1 3.47Å; Y250-F261 VanDerWaalsContact CZ-CE1 3.47Å; Y250-F261 WeakPolarHBondContact OH-CE1 3.19Å; L252-F261 HydrophobicContact CB-CB 4.39Å; L252-F261 PolarHBondContact N-O 2.96Å; L252-F261 PolarHBondContact O-N 3.47Å; F261-A273 HydrophobicContact CE1-CB 4.4Å; F261-A273 HydrophobicContact CE2-CB 3.99Å; F261-A273 HydrophobicContact CZ-CB 3.55Å; F261-V274 CarbonylContact C-O 3.6Å; F261-V274 WeakPolarHBondContact CA-O 3.33Å; F261-L275 HydrophobicContact CB-CD1 4.3Å; F261-L275 HydrophobicContact CD2-CB 4.22Å; F261-L275 HydrophobicContact CD2-CD1 3.98Å
262R96.3Very high93Very high62 Ų6259.9 Ų59.923%0.23432%0.316CS..EExtended strand (participates in β ladder)trans-124.6130.9174.9-66.4-178.9-170.8-177.15.7109.4D39 P42 Y250 H251 A273 V274D39-R262 PolarHBondContact O-NH1 3.39Å; P42-R262 HydrophobicContact CB-CB 3.8Å; P42-R262 HydrophobicContact CG-CB 4.43Å; Y250-R262 CarbonylContact O-C 3.57Å; Y250-R262 VanDerWaalsContact O-CA 3.31Å; Y250-R262 WeakPolarHBondContact O-CA 3.02Å; H251-R262 HydrophobicContact CB-CG 4.32Å; H251-R262 VanDerWaalsContact CD2-CG 3.5Å; H251-R262 WeakPolarHBondContact CD2-CG 3.39Å; H251-R262 PolarHBondContact CD2-NE 3.04Å; R262-A273 CarbonylContact O-C 3.59Å; R262-A273 VanDerWaalsContact O-CA 3.25Å; R262-A273 WeakPolarHBondContact O-CA 3.48Å; R262-V274 PolarHBondContact N-O 2.81Å; R262-V274 PolarHBondContact O-N 2.81Å
263G95.9Very high93.1Very high2 Ų258.9 Ų58.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-121.4150.8176.100000111.5G249 Y250 G272G249-G263 CarbonylContact C-O 3.59Å; G249-G263 WeakPolarHBondContact CA-O 3.45Å; Y250-G263 PolarHBondContact N-O 2.88Å; Y250-G263 PolarHBondContact O-N 2.79Å; G263-G272 CarbonylContact C-O 3.57Å; G263-G272 WeakPolarHBondContact CA-O 3.38Å
264L95.8Very high93.2Very high24 Ų2457.1 Ų57.113%0.12631%0.305CS..EExtended strand (participates in β ladder)trans-137.4138.9175.7165.469.1000109.6F41 P42 F248 V271 G272F41-L264 HydrophobicContact CD1-CB 4.42Å; F41-L264 HydrophobicContact CD1-CD1 3.48Å; F41-L264 VanDerWaalsContact CD1-CD1 3.48Å; F41-L264 HydrophobicContact CD1-CG 4.42Å; F41-L264 HydrophobicContact CE1-CD1 3.6Å; P42-L264 HydrophobicContact CG-CB 3.59Å; F248-L264 CarbonylContact O-C 3.54Å; F248-L264 WeakPolarHBondContact O-CA 3.39Å; L264-V271 WeakPolarHBondContact O-CA 3.44Å; L264-G272 PolarHBondContact N-O 2.99Å; L264-G272 PolarHBondContact O-N 2.79Å
265V95.7Very high93.3Very high72 Ų7257 Ų5744%0.43630%0.304SS..EExtended strand (participates in β ladder)trans-132.8126.7166.2-178.30000107.7F248 C270 V271F248-V265 PolarHBondContact N-O 3.4Å; F248-V265 PolarHBondContact O-N 2.83Å; V265-C270 WeakPolarHBondContact CA-O 3.46Å; V265-V271 HydrophobicContact CG1-CG2 4.46Å; V265-V271 HydrophobicContact CG2-CG1 4.38Å; V265-V271 HydrophobicContact CG2-CG2 4.41Å
266D93.6Very high93.7Very high24 Ų2456.2 Ų56.213%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-117.3155.6-179.6-17835.9000111.3F246 S247 N268 W269 C270F246-D266 VanDerWaalsContact C-OD1 3.28Å; F246-D266 CarbonylContact O-C 3.58Å; F246-D266 WeakPolarHBondContact O-CA 3.18Å; S247-D266 VanDerWaalsContact OG-CG 3.26Å; S247-D266 PolarHBondContact OG-OD1 2.76Å; D266-N268 PolarHBondContact O-N 2.82Å; D266-N268 VanDerWaalsContact O-N 3.11Å; D266-N268 PolarHBondContact OD2-ND2 2.98Å; D266-W269 PolarHBondContact O-N 2.95Å; D266-C270 HydrophobicContact CB-CB 4.28Å; D266-C270 PolarHBondContact N-O 2.95Å
267S93.3Very high94Very high58 Ų5850.6 Ų50.641%0.40627%0.266SS..THydrogen-bonded Turntrans-61.9-18179.958.30000113.7F246 W269F246-S267 PolarHBondContact N-OG 2.83Å; F246-S267 PolarHBondContact O-N 2.79Å; S267-W269 PolarHBondContact O-N 3.2Å
268N90.9Very high94.3Very high78 Ų7855 Ų5542%0.41728%0.279SS..THydrogen-bonded Turntrans-78.213.8173.2-65.4-52.7000114.1D266 C270D266-N268 PolarHBondContact O-N 2.82Å; D266-N268 VanDerWaalsContact O-N 3.11Å; D266-N268 PolarHBondContact OD2-ND2 2.98Å; N268-C270 PolarHBondContact O-N 3.29Å
269W91.8Very high94.2Very high176 Ų17655 Ų5567%0.66728%0.278SS*.THydrogen-bonded Turntrans59.130-175.1-58.485.7000113.3D266 S267 H294 W295D266-W269 PolarHBondContact O-N 2.95Å; S267-W269 PolarHBondContact O-N 3.2Å; W269-H294 HydrophobicContact CB-CB 4.16Å; W269-H294 PolarHBondContact O-N 2.84Å; W269-W295 HydrophobicContact CB-CB 4.5Å
270C92.5Very high93.9Very high36 Ų3656.8 Ų56.824%0.24329%0.293CS..EExtended strand (participates in β ladder)trans-91.6127.2170.5-66.80000108.9V265 D266 N268 L292 N293V265-C270 WeakPolarHBondContact CA-O 3.46Å; D266-C270 HydrophobicContact CB-CB 4.28Å; D266-C270 PolarHBondContact N-O 2.95Å; N268-C270 PolarHBondContact O-N 3.29Å; C270-L292 CarbonylContact C-O 3.41Å; C270-L292 WeakPolarHBondContact CA-O 3.28Å; C270-N293 PolarHBondContact SG-ND2 3.11Å
271V95.2Very high93.4Very high63 Ų6361.8 Ų61.838%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-118.6131.4171.6-1780000108L264 V265 F291 L292L264-V271 WeakPolarHBondContact O-CA 3.44Å; V265-V271 HydrophobicContact CG1-CG2 4.46Å; V265-V271 HydrophobicContact CG2-CG1 4.38Å; V265-V271 HydrophobicContact CG2-CG2 4.41Å; V271-F291 CarbonylContact O-C 3.59Å; V271-F291 WeakPolarHBondContact O-CA 3.46Å; V271-L292 PolarHBondContact N-O 3.32Å; V271-L292 PolarHBondContact O-N 2.79Å
272G95Very high93Very high4 Ų465 Ų654%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-134.6145.6-17800000111.6G263 L264 A290 F291G263-G272 CarbonylContact C-O 3.57Å; G263-G272 WeakPolarHBondContact CA-O 3.38Å; L264-G272 PolarHBondContact N-O 2.99Å; L264-G272 PolarHBondContact O-N 2.79Å; G272-A290 CarbonylContact C-O 3.5Å; G272-A290 WeakPolarHBondContact CA-O 3.32Å; G272-F291 VanDerWaalsContact CA-CD1 3.45Å
273A95.7Very high92.6Very high29 Ų2965.9 Ų65.924%0.2436%0.359CS..EExtended strand (participates in β ladder)trans-143.9143.217200000110.8F261 R262 G289 A290F261-A273 HydrophobicContact CE1-CB 4.4Å; F261-A273 HydrophobicContact CE2-CB 3.99Å; F261-A273 HydrophobicContact CZ-CB 3.55Å; R262-A273 CarbonylContact O-C 3.59Å; R262-A273 VanDerWaalsContact O-CA 3.25Å; R262-A273 WeakPolarHBondContact O-CA 3.48Å; A273-G289 CarbonylContact O-C 3.55Å; A273-G289 VanDerWaalsContact O-CA 3.26Å; A273-G289 WeakPolarHBondContact O-CA 3Å; A273-A290 PolarHBondContact N-O 2.69Å; A273-A290 PolarHBondContact O-N 3.43Å
274V96.2Very high92.5Very high3 Ų367.1 Ų67.12%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-129.5128.8171.4172.90000109P42 A43 M45 F261 R262 E276 L288 F291P42-V274 HydrophobicContact CB-CB 3.83Å; P42-V274 HydrophobicContact CB-CG2 3.58Å; A43-V274 WeakPolarHBondContact O-CG2 3.37Å; M45-V274 HydrophobicContact CE-CB 4.29Å; M45-V274 HydrophobicContact CE-CG1 3.47Å; M45-V274 VanDerWaalsContact CE-CG1 3.47Å; M45-V274 HydrophobicContact CE-CG2 3.73Å; M45-V274 HydrophobicContact CG-CG2 4.3Å; M45-V274 HydrophobicContact SD-CG1 4.28Å; M45-V274 HydrophobicContact SD-CG2 4.15Å; F261-V274 CarbonylContact C-O 3.6Å; F261-V274 WeakPolarHBondContact CA-O 3.33Å; R262-V274 PolarHBondContact N-O 2.81Å; R262-V274 PolarHBondContact O-N 2.81Å; V274-E276 HydrophobicContact CG1-CG 4.13Å; V274-L288 CarbonylContact C-O 3.51Å; V274-L288 VanDerWaalsContact CA-O 3.3Å; V274-L288 WeakPolarHBondContact CA-O 3.24Å; V274-F291 HydrophobicContact CG2-CE2 4.09Å; V274-F291 HydrophobicContact CG2-CZ 4.01Å
275L95.6Very high92.4Very high53 Ų5367.6 Ų67.628%0.27737%0.37SS..EExtended strand (participates in β ladder)trans-115114.8177176.168.8000109.2M259 F261 A287 L288M259-L275 HydrophobicContact CE-CD1 4.1Å; M259-L275 HydrophobicContact CG-CD1 3.44Å; M259-L275 VanDerWaalsContact CG-CD1 3.44Å; M259-L275 HydrophobicContact CG-CG 4.49Å; M259-L275 HydrophobicContact SD-CD1 3.54Å; M259-L275 VanDerWaalsContact SD-CD1 3.54Å; F261-L275 HydrophobicContact CB-CD1 4.3Å; F261-L275 HydrophobicContact CD2-CB 4.22Å; F261-L275 HydrophobicContact CD2-CD1 3.98Å; L275-A287 CarbonylContact O-C 3.53Å; L275-A287 VanDerWaalsContact O-CA 3.29Å; L275-A287 WeakPolarHBondContact O-CA 3.34Å; L275-L288 PolarHBondContact N-O 3.01Å; L275-L288 PolarHBondContact O-N 3.17Å
276E95Very high92.3Very high63 Ų6366.6 Ų66.629%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-105.1131.5173.5-61.6-179.517500110.2M259 V260 V274 L286 A287M259-E276 CarbonylContact C-O 3.55Å; M259-E276 VanDerWaalsContact CA-O 3.31Å; M259-E276 WeakPolarHBondContact CA-O 3.32Å; V260-E276 HydrophobicContact CB-CB 4.29Å; V260-E276 PolarHBondContact N-O 2.87Å; V260-E276 PolarHBondContact O-N 2.88Å; V274-E276 HydrophobicContact CG1-CG 4.13Å; E276-L286 CarbonylContact C-O 3.58Å; E276-L286 WeakPolarHBondContact CA-O 3.18Å; E276-A287 HydrophobicContact CG-CB 3.86Å
277K94.3Very high92.3Very high76 Ų7665.8 Ų65.833%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-130.7119.8-179.7177.168.5175.8-163.40109.2A257 M259 M279 T285 L286A257-K277 WeakPolarHBondContact O-CD 3.37Å; A257-K277 WeakPolarHBondContact O-CE 3.48Å; A257-K277 PolarHBondContact O-NZ 2.9Å; M259-K277 HydrophobicContact CB-CD 4.2Å; M259-K277 HydrophobicContact CG-CD 4.44Å; K277-M279 HydrophobicContact CG-CG 4.29Å; K277-T285 WeakPolarHBondContact O-CA 3.33Å; K277-L286 PolarHBondContact N-O 2.8Å; K277-L286 PolarHBondContact O-N 2.78Å
278K92.5Very high92.4Very high125 Ų12567 Ų6754%0.54336%0.36SS..EExtended strand (participates in β ladder)trans-85.4137.4169.8-59-177.5177.9-178.50108.7N258 P280 T285N258-K278 HydrophobicContact CB-CB 4.26Å; N258-K278 PolarHBondContact O-N 3.42Å; K278-P280 VanDerWaalsContact O-CD 3.27Å; K278-P280 WeakPolarHBondContact O-CD 3.37Å; K278-T285 HydrophobicContact CG-CG2 4.03Å
279M90.4Very high92.6Very high78 Ų7863.5 Ų63.538%0.38434%0.343SS..  trans-117.278.5-175.3-64.8-172.8-72.200112.4K277 L282 V284 L286K277-M279 HydrophobicContact CG-CG 4.29Å; M279-L282 CarbonylContact C-O 3.55Å; M279-L282 CarbonylContact O-C 3.54Å; M279-L282 PolarHBondContact O-N 2.98Å; M279-L282 VanDerWaalsContact O-N 3.08Å; M279-V284 HydrophobicContact CE-CB 4.18Å; M279-V284 HydrophobicContact CE-CG1 3.7Å; M279-V284 PolarHBondContact N-O 2.84Å; M279-L286 HydrophobicContact CE-CB 4.19Å
280P86.2Confident92.7Very high87 Ų8757 Ų5757%0.56533%0.327SS*.THydrogen-bonded Turntrans-59.9144.2171.2-18.530.8000111.3K278K278-P280 VanDerWaalsContact O-CD 3.27Å; K278-P280 WeakPolarHBondContact O-CD 3.37Å
281P84.1Confident92.7Very high134 Ų13456.2 Ų56.287%0.8732%0.319SS*.THydrogen-bonded Turncis-86.5-2.96.435-36.5000114.9
282L87.5Confident92.6Very high117 Ų11756.2 Ų56.261%0.61332%0.317SS*.SBendtrans-76.9140.5-179.5-64.3166.7000109.7M279 V284M279-L282 CarbonylContact C-O 3.55Å; M279-L282 CarbonylContact O-C 3.54Å; M279-L282 PolarHBondContact O-N 2.98Å; M279-L282 VanDerWaalsContact O-N 3.08Å; L282-V284 HydrophobicContact CB-CB 4.44Å; L282-V284 HydrophobicContact CB-CG2 4.06Å; L282-V284 PolarHBondContact O-N 3.23Å
283P88.1Confident92.5Very high82 Ų8257.2 Ų57.253%0.53232%0.321SS..SBendtrans-77.747.8175.735.1-37.3000111.2G308P283-G308 WeakPolarHBondContact CB-O 3.08Å; P283-G308 WeakPolarHBondContact CG-O 3.37Å; P283-G308 PolarHBondContact O-N 2.85Å
284V92.6Very high92.2Very high27 Ų2760.4 Ų60.416%0.16433%0.331CS..EExtended strand (participates in β ladder)trans-113.1129.8-177.2-177.50000109.6M279 L282 I305 T306 V307M279-V284 HydrophobicContact CE-CB 4.18Å; M279-V284 HydrophobicContact CE-CG1 3.7Å; M279-V284 PolarHBondContact N-O 2.84Å; L282-V284 HydrophobicContact CB-CB 4.44Å; L282-V284 HydrophobicContact CB-CG2 4.06Å; L282-V284 PolarHBondContact O-N 3.23Å; V284-I305 HydrophobicContact CG1-CG2 3.84Å; V284-T306 WeakPolarHBondContact CA-O 3.31Å; V284-V307 HydrophobicContact CG2-CG1 4.45Å; V284-V307 HydrophobicContact CG2-CG2 4.31Å
285T93.4Very high91.8Very high35 Ų3569.8 Ų69.822%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-114.4122.6171.4-53.40000108.9K277 K278 T306K277-T285 WeakPolarHBondContact O-CA 3.33Å; K278-T285 HydrophobicContact CG-CG2 4.03Å; T285-T306 PolarHBondContact N-O 2.94Å; T285-T306 PolarHBondContact O-N 3.1Å
286L93.8Very high91.6Very high50 Ų5074.8 Ų74.826%0.26238%0.381SS..EExtended strand (participates in β ladder)trans-98128.4173.1179.871.4000108.8E276 K277 M279 L288 I305E276-L286 CarbonylContact C-O 3.58Å; E276-L286 WeakPolarHBondContact CA-O 3.18Å; K277-L286 PolarHBondContact N-O 2.8Å; K277-L286 PolarHBondContact O-N 2.78Å; M279-L286 HydrophobicContact CE-CB 4.19Å; L286-L288 HydrophobicContact CD2-CD1 4.34Å; L286-L288 HydrophobicContact CD2-CG 4.38Å; L286-L288 HydrophobicContact CG-CG 4.38Å; L286-I305 HydrophobicContact CD1-CG1 3.86Å
287A94.8Very high91.3Very high8 Ų878.5 Ų78.57%0.06640%0.403CS..EExtended strand (participates in β ladder)trans-115.9134.2170.600000109.8M45 L275 E276 F303 S304M45-A287 HydrophobicContact CE-CB 4.14Å; L275-A287 CarbonylContact O-C 3.53Å; L275-A287 VanDerWaalsContact O-CA 3.29Å; L275-A287 WeakPolarHBondContact O-CA 3.34Å; E276-A287 HydrophobicContact CG-CB 3.86Å; A287-F303 CarbonylContact O-C 3.59Å; A287-F303 VanDerWaalsContact O-CA 3.24Å; A287-F303 WeakPolarHBondContact O-CA 3.22Å; A287-S304 PolarHBondContact N-O 2.94Å; A287-S304 PolarHBondContact O-N 2.8Å
288L94.7Very high91Very high82 Ų8281.2 Ų81.243%0.42941%0.411SS..EExtended strand (participates in β ladder)trans-123.7127.2176.2-65.3169000108.1V274 L275 L286 F303V274-L288 CarbonylContact C-O 3.51Å; V274-L288 VanDerWaalsContact CA-O 3.3Å; V274-L288 WeakPolarHBondContact CA-O 3.24Å; L275-L288 PolarHBondContact N-O 3.01Å; L275-L288 PolarHBondContact O-N 3.17Å; L286-L288 HydrophobicContact CD2-CD1 4.34Å; L286-L288 HydrophobicContact CD2-CG 4.38Å; L286-L288 HydrophobicContact CG-CG 4.38Å; L288-F303 HydrophobicContact CD2-CB 3.7Å
289G94.8Very high90.8Very high6 Ų681 Ų816%0.06241%0.41CS..EExtended strand (participates in β ladder)trans-129.8142.7179.800000112.3M45 A273 C301 G302M45-G289 WeakPolarHBondContact SD-CA 3.49Å; M45-G289 PolarHBondContact SD-N 2.92Å; A273-G289 CarbonylContact O-C 3.55Å; A273-G289 VanDerWaalsContact O-CA 3.26Å; A273-G289 WeakPolarHBondContact O-CA 3Å; G289-C301 VanDerWaalsContact O-CA 3.27Å; G289-C301 WeakPolarHBondContact O-CA 3.4Å; G289-C301 WeakPolarHBondContact O-CB 3.25Å; G289-G302 PolarHBondContact N-O 3.32Å; G289-G302 PolarHBondContact O-N 3.19Å
290A94.1Very high90.7Very high40 Ų4080.2 Ų80.233%0.33141%0.406SS..EExtended strand (participates in β ladder)trans-141.1130.3178.100000109.4G272 A273 F299G272-A290 CarbonylContact C-O 3.5Å; G272-A290 WeakPolarHBondContact CA-O 3.32Å; A273-A290 PolarHBondContact N-O 2.69Å; A273-A290 PolarHBondContact O-N 3.43Å; A290-F299 HydrophobicContact CB-CE2 3.98Å; A290-F299 HydrophobicContact CB-CZ 4.16Å
291F93.1Very high91Very high19 Ų1979.5 Ų79.58%0.08340%0.402CS..EExtended strand (participates in β ladder)trans-131.3124.3-179.4-66.4-93.4000109.2P42 A43 Q44 M45 V271 G272 V274 F299 H300P42-F291 HydrophobicContact CB-CZ 4.16Å; P42-F291 HydrophobicContact CG-CE1 4.25Å; P42-F291 HydrophobicContact CG-CZ 4.32Å; A43-F291 WeakPolarHBondContact O-CZ 3.35Å; Q44-F291 HydrophobicContact CB-CE2 4.4Å; Q44-F291 HydrophobicContact CB-CZ 4.29Å; Q44-F291 HydrophobicContact CG-CD1 4.08Å; Q44-F291 HydrophobicContact CG-CE1 3.76Å; Q44-F291 HydrophobicContact CG-CE2 4.41Å; Q44-F291 HydrophobicContact CG-CZ 3.96Å; M45-F291 HydrophobicContact CG-CE2 4.3Å; V271-F291 CarbonylContact O-C 3.59Å; V271-F291 WeakPolarHBondContact O-CA 3.46Å; G272-F291 VanDerWaalsContact CA-CD1 3.45Å; V274-F291 HydrophobicContact CG2-CE2 4.09Å; V274-F291 HydrophobicContact CG2-CZ 4.01Å; F291-F299 WeakPolarHBondContact O-CA 3.35Å; F291-H300 PolarHBondContact N-O 2.89Å; F291-H300 PolarHBondContact O-N 3.43Å
292L92.8Very high91.4Very high63 Ų6373.5 Ų73.533%0.3336%0.364SS..EExtended strand (participates in β ladder)trans-122.9121.5-178.5-177.665.3000109.2C270 V271 H294 F299C270-L292 CarbonylContact C-O 3.41Å; C270-L292 WeakPolarHBondContact CA-O 3.28Å; V271-L292 PolarHBondContact N-O 3.32Å; V271-L292 PolarHBondContact O-N 2.79Å; L292-H294 WeakPolarHBondContact CD2-CE1 3.48Å; L292-F299 HydrophobicContact CB-CD2 4.24Å; L292-F299 HydrophobicContact CD1-CB 3.91Å; L292-F299 HydrophobicContact CD1-CD2 4.05Å; L292-F299 HydrophobicContact CD1-CG 4.47Å
293N92.4Very high91.7Very high25 Ų2572 Ų7213%0.13435%0.353CS..EExtended strand (participates in β ladder)trans-98.4109167.2-176.2-45.8000108.4C270 W295 R296 N297 R298C270-N293 PolarHBondContact SG-ND2 3.11Å; N293-W295 PolarHBondContact OD1-N 2.86Å; N293-R296 HydrophobicContact CB-CB 4.46Å; N293-R296 PolarHBondContact OD1-N 3.01Å; N293-N297 WeakPolarHBondContact O-CA 3.44Å; N293-N297 PolarHBondContact O-N 3.01Å; N293-R298 PolarHBondContact N-O 3.06Å; N293-R298 PolarHBondContact O-N 3.1Å
294H90.6Very high91.9Very high96 Ų9668.8 Ų68.844%0.44433%0.332SS..THydrogen-bonded Turntrans-69.7-33.7-178.2-73.3-79.6000112.9W269 L292 N297W269-H294 HydrophobicContact CB-CB 4.16Å; W269-H294 PolarHBondContact O-N 2.84Å; L292-H294 WeakPolarHBondContact CD2-CE1 3.48Å; H294-N297 PolarHBondContact O-OD1 2.83Å
295W87.9Confident92Very high199 Ų19970.2 Ų70.275%0.75434%0.338SS*.THydrogen-bonded Turntrans-69.8-42.9-179.4-175-98.3000112.1W269 N293W269-W295 HydrophobicContact CB-CB 4.5Å; N293-W295 PolarHBondContact OD1-N 2.86Å
296R89.5Confident92Very high159 Ų15971 Ų7160%0.634%0.344SS*.THydrogen-bonded Turntrans-92.1-2.4-178.1-63.2-178.3173.7-176.51.2113.2N293 R298N293-R296 HydrophobicContact CB-CB 4.46Å; N293-R296 PolarHBondContact OD1-N 3.01Å; R296-R298 HydrophobicContact CB-CG 4.48Å; R296-R298 PolarHBondContact O-N 3.02Å
297N89.6Confident91.9Very high141 Ų14170.9 Ų70.975%0.75435%0.345SS*.THydrogen-bonded Turntrans47.442.7-173.3-69.5-41.2000113.1N293 H294N293-N297 WeakPolarHBondContact O-CA 3.44Å; N293-N297 PolarHBondContact O-N 3.01Å; H294-N297 PolarHBondContact O-OD1 2.83Å
298R88.3Confident91.3Very high132 Ų13273.9 Ų73.950%0.49838%0.376SS..EExtended strand (participates in β ladder)trans-111.7125.1178.3-77-165.8-101.1178.2-8.9110.3N293 R296N293-R298 PolarHBondContact N-O 3.06Å; N293-R298 PolarHBondContact O-N 3.1Å; R296-R298 HydrophobicContact CB-CG 4.48Å; R296-R298 PolarHBondContact O-N 3.02Å
299F88.6Confident91.1Very high120 Ų12073.5 Ų73.553%0.52637%0.373SS..EExtended strand (participates in β ladder)trans-113.6129.9176.4176.8-104000109.4A290 F291 L292 C301A290-F299 HydrophobicContact CB-CE2 3.98Å; A290-F299 HydrophobicContact CB-CZ 4.16Å; F291-F299 WeakPolarHBondContact O-CA 3.35Å; L292-F299 HydrophobicContact CB-CD2 4.24Å; L292-F299 HydrophobicContact CD1-CB 3.91Å; L292-F299 HydrophobicContact CD1-CD2 4.05Å; L292-F299 HydrophobicContact CD1-CG 4.47Å; F299-C301 HydrophobicContact CE1-CB 3.67Å; F299-C301 HydrophobicContact CZ-CB 3.71Å
300H88.8Confident91Very high63 Ų6377 Ų7729%0.29239%0.39SS..EExtended strand (participates in β ladder)trans-126131.6174-5184.8000107.7F291F291-H300 PolarHBondContact N-O 2.89Å; F291-H300 PolarHBondContact O-N 3.43Å
301C91.8Very high90.8Very high72 Ų7279.1 Ų79.149%0.48639%0.393SS..EExtended strand (participates in β ladder)trans-128.2154.6171.664.80000110.2G47 G289 F299G47-C301 PolarHBondContact N-O 3.15Å; G47-C301 VanDerWaalsContact N-O 3.16Å; G289-C301 VanDerWaalsContact O-CA 3.27Å; G289-C301 WeakPolarHBondContact O-CA 3.4Å; G289-C301 WeakPolarHBondContact O-CB 3.25Å; F299-C301 HydrophobicContact CE1-CB 3.67Å; F299-C301 HydrophobicContact CZ-CB 3.71Å
302G91.8Very high90.6Very high7 Ų782.6 Ų82.67%0.07241%0.411CS..EExtended strand (participates in β ladder)trans-149.7158.117500000111G47 G289G47-G302 CarbonylContact O-C 3.53Å; G47-G302 WeakPolarHBondContact O-CA 3.48Å; G289-G302 PolarHBondContact N-O 3.32Å; G289-G302 PolarHBondContact O-N 3.19Å
303F93.2Very high90.5Very high87 Ų8783.8 Ų83.838%0.38242%0.416SS..EExtended strand (participates in β ladder)trans-132.4142.9168.467.3-90.8000109.9G47 V48 K49 A287 L288 I305G47-F303 PolarHBondContact O-N 3.44Å; V48-F303 WeakPolarHBondContact CA-O 3.49Å; V48-F303 HydrophobicContact CB-CE1 4.17Å; V48-F303 HydrophobicContact CB-CE2 4.15Å; V48-F303 HydrophobicContact CB-CZ 3.87Å; V48-F303 HydrophobicContact CG1-CD2 3.95Å; V48-F303 HydrophobicContact CG1-CE1 4.18Å; V48-F303 HydrophobicContact CG1-CE2 3.28Å; V48-F303 HydrophobicContact CG1-CZ 3.41Å; V48-F303 VanDerWaalsContact CG1-CZ 3.41Å; V48-F303 HydrophobicContact CG2-CD1 3.99Å; V48-F303 HydrophobicContact CG2-CE1 3.23Å; V48-F303 HydrophobicContact CG2-CE2 4.01Å; V48-F303 HydrophobicContact CG2-CZ 3.23Å; K49-F303 PolarHBondContact N-O 2.95Å; A287-F303 CarbonylContact O-C 3.59Å; A287-F303 VanDerWaalsContact O-CA 3.24Å; A287-F303 WeakPolarHBondContact O-CA 3.22Å; L288-F303 HydrophobicContact CD2-CB 3.7Å; F303-I305 HydrophobicContact CD2-CG1 4.45Å; F303-I305 HydrophobicContact CE2-CD1 4.44Å
304S92.9Very high90.4Very high14 Ų1487.7 Ų87.710%0.09844%0.435CS..EExtended strand (participates in β ladder)trans-125.1137.8175.1-173.70000110.6K49 A287K49-S304 CarbonylContact O-C 3.59Å; K49-S304 WeakPolarHBondContact O-CA 3.17Å; K49-S304 WeakPolarHBondContact O-CB 3.35Å; K49-S304 PolarHBondContact O-OG 2.93Å; A287-S304 PolarHBondContact N-O 2.94Å; A287-S304 PolarHBondContact O-N 2.8Å
305I94.3Very high90.4Very high56 Ų5687.1 Ų87.129%0.28743%0.434SS..EExtended strand (participates in β ladder)trans-116.3119.7172.6-58.3173.6000106K49 L50 V51 V284 L286 F303 V307K49-I305 PolarHBondContact O-N 2.66Å; L50-I305 CarbonylContact C-O 3.55Å; L50-I305 WeakPolarHBondContact CA-O 3.22Å; L50-I305 HydrophobicContact CD1-CB 3.94Å; L50-I305 HydrophobicContact CD1-CG2 4.04Å; V51-I305 PolarHBondContact N-O 3.38Å; V284-I305 HydrophobicContact CG1-CG2 3.84Å; L286-I305 HydrophobicContact CD1-CG1 3.86Å; F303-I305 HydrophobicContact CD2-CG1 4.45Å; F303-I305 HydrophobicContact CE2-CD1 4.44Å; I305-V307 HydrophobicContact CG2-CG2 4.23Å
306T93.3Very high90.6Very high53 Ų5378.5 Ų78.533%0.32541%0.41SS..EExtended strand (participates in β ladder)trans-110.5122.1173.6-57.40000108.8V51 V284 T285V51-T306 HydrophobicContact CB-CG2 4.17Å; V51-T306 HydrophobicContact CG1-CG2 4.32Å; V51-T306 CarbonylContact O-C 3.42Å; V51-T306 VanDerWaalsContact O-CA 3.31Å; V51-T306 WeakPolarHBondContact O-CA 3.49Å; V284-T306 WeakPolarHBondContact CA-O 3.31Å; T285-T306 PolarHBondContact N-O 2.94Å; T285-T306 PolarHBondContact O-N 3.1Å
307V92.7Very high90.6Very high47 Ų4771.8 Ų71.829%0.28539%0.394SS..EExtended strand (participates in β ladder)trans-108.2124174.7-171.80000107.1L50 V51 V52 N53 V284 I305L50-V307 HydrophobicContact CD1-CG2 4.44Å; V51-V307 PolarHBondContact O-N 3.21Å; V52-V307 CarbonylContact C-O 3.59Å; V52-V307 WeakPolarHBondContact CA-O 3.41Å; N53-V307 PolarHBondContact N-O 3.13Å; V284-V307 HydrophobicContact CG2-CG1 4.45Å; V284-V307 HydrophobicContact CG2-CG2 4.31Å; I305-V307 HydrophobicContact CG2-CG2 4.23Å
308G82.4Confident90.7Very high70 Ų7065.5 Ų65.572%0.72236%0.361SS*.  trans-119.40178.400000113.6P283P283-G308 WeakPolarHBondContact CB-O 3.08Å; P283-G308 WeakPolarHBondContact CG-O 3.37Å; P283-G308 PolarHBondContact O-N 2.85Å

Retrieved 308 of 308 residues in 72.9 ms (Link to these results)