A0A087XYH2_POEFO Loading...

DNA sliding clamp PCNA

This protein is an auxiliary protein of DNA polymerase delta and is involved in the control of eukaryotic DNA replication by increasing the polymerase's processivity during elongation of the leading strand.

AlphaFold DB , UniProt , Accession A0A087XYH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M33.2Very low32.9Very low249 Ų249153.3 Ų153.3100%1.22784%0.844SS**  0142.60-70166.7171.500108
2T33.4Very low32.3Very low133 Ų133150.8 Ų150.882%0.81684%0.843SS**  trans-83.4-179.8166.241.60000109.9
3P46.3Very low32.1Very low114 Ų114156.8 Ų156.874%0.7485%0.845SS**  cis-109.3-143.5-1.2224.1000110.8
4T30.2Very low31.8Very low127 Ų127153.7 Ų153.778%0.77984%0.841SS**  cis-159.5161.112-33.70000111.7
5L33.4Very low31.6Very low165 Ų165154.9 Ų154.986%0.86485%0.845SS**  trans-89.5158.9167.2-76.2131.2000112.5
6I30.3Very low31.3Very low163 Ų163152.3 Ų152.384%0.83684%0.842SS**  trans-131.5137.7162.5-65.3-178.7000109.7
7R32.8Very low31.1Very low235 Ų235150.2 Ų150.289%0.88784%0.84SS**  trans-100.4149.1168.3-66.9178.5174.5-178.5-2.4110.3
8P34.4Very low30.8Very low129 Ų129148 Ų14884%0.83884%0.835SS**  trans-98.5169.2151.235.2-28.1000111.9
9S28.7Very low30.5Very low106 Ų106152.1 Ų152.174%0.74184%0.836SS**  trans-151.9163.3-173.361.20000113.6
10S29.7Very low30.5Very low104 Ų104152.3 Ų152.373%0.72783%0.834SS**  trans74.9175.3158.481.20000119
11I29.9Very low30.2Very low161 Ų161150 Ų15083%0.82683%0.828SS**  trans76.5130.1-173.9-53.1169000112.6
12C25.6Very low29.9Very low124 Ų124149.5 Ų149.584%0.83881%0.812SS**  cis-132.4-179.57.4-151.10000113.9
13R29.4Very low29.6Very low229 Ų229152.2 Ų152.286%0.86482%0.818SS**  trans-119.2172.5179.6-84.7-173.3174.2-172-0112.6
14S28.5Very low28.6Very low113 Ų113152.1 Ų152.179%0.7982%0.819SS**  trans86.4145166.483.80000114.7
15L28.9Very low28.6Very low171 Ų171153.3 Ų153.390%0.89582%0.819SS**  cis-131.8171.321.7-88.8154.6000113.4
16S26.6Very low28.4Very low114 Ų114152.5 Ų152.580%0.79782%0.815SS**  trans-137138.9-177.858.20000112.3
17S27.8Very low28.2Very low116 Ų116152.3 Ų152.381%0.81181%0.813SS**  trans-155.8124.2167-152.20000113.6
18C25.5Very low28Very low111 Ų111145.2 Ų145.275%0.7580%0.799SS**  trans36134.3133.6-87.50000121.3
19R25.2Very low28Very low225 Ų225145.8 Ų145.885%0.84980%0.801SS**  cis-151137.79.4-70.2-172.3173.1168.1-3.1114
20I29.4Very low28.2Very low157 Ų157147.3 Ų147.381%0.80581%0.805SS**  trans34.7120.8130.3-70.2158.6000121.6
21C25.5Very low28.3Very low104 Ų104147.5 Ų147.570%0.70381%0.806SS**  trans66.3121.3142.8-76.90000125.4
22R27.2Very low28.3Very low239 Ų239145.1 Ų145.190%0.90280%0.804SS**  43.9118.9121.9-65.6179.9168.4-171.1-4119.9
23M25.8Very low28.6Very low189 Ų189145.9 Ų145.993%0.93181%0.805SS**  -143.4168.7125-154.6145.685.800110.9
24C25.5Very low28.9Very low112 Ų112139.2 Ų139.276%0.75780%0.799SS**  trans-56.5141.5-176.7-650000112.7
25L30.4Very low29.2Very low152 Ų152141.3 Ų141.380%0.79680%0.799SS**  71.185.152.6-159.8174.8000111.7
26L28.7Very low29.4Very low148 Ų148138.6 Ų138.678%0.77579%0.792SS**  trans-177.4154.2151.2-101.4158.2000110.2
27M27.3Very low29.8Very low159 Ų159137.5 Ų137.578%0.78379%0.79SS**  trans59.4103.8178.4-53-51.9171.400116
28S28Very low30.1Very low87 Ų87142 Ų14261%0.60880%0.796SS**  88.6113.354.673.10000114.2
29T34.2Very low30.3Very low141 Ų141141.7 Ų141.787%0.86579%0.794SS**  trans61.4147.1178.965.30000114.4
30V33.7Very low30.8Very low138 Ų138136.7 Ų136.784%0.83679%0.791SS**  cis-125.7159.626.4172.80000111.1
31S31.6Very low31.1Very low107 Ų107138.8 Ų138.875%0.74879%0.794SS**  trans-72.7158.5-179.9-162.70000113.6T33S31-T33 PolarHBondContact O-N 2.83Å
32S30.4Very low31.4Very low112 Ų112138.4 Ų138.478%0.78379%0.793SS**  trans-67.5122.6176.6-176.90000111.6A34S32-A34 PolarHBondContact O-N 3.22Å
33T31.6Very low31.8Very low140 Ų140138.3 Ų138.386%0.85979%0.793SS**  trans-74.9103.2167.933.90000109.8S31S31-T33 PolarHBondContact O-N 2.83Å
34A34.4Very low32.2Very low88 Ų88138.4 Ų138.473%0.72778%0.783SS**  trans-65.4147.2177.700000112.1S32S32-A34 PolarHBondContact O-N 3.22Å
35I36.3Very low32.5Very low157 Ų157143 Ų14381%0.80579%0.79SS**  trans-61.5130168.7-60.7162.8000108A37I35-A37 PolarHBondContact O-N 2.88Å
36P33.3Very low32.9Very low115 Ų115143.7 Ų143.775%0.74778%0.783SS**  trans-68.8103.2173.728.2-32.9000109.2F38P36-F38 PolarHBondContact O-N 3.07Å
37A34.9Very low33.3Very low91 Ų91141.4 Ų141.475%0.75278%0.779SS**PPolyproline II helixtrans-62.3129.4169.400000109.1I35 S39I35-A37 PolarHBondContact O-N 2.88Å; A37-S39 PolarHBondContact O-N 3.01Å; A37-S39 VanDerWaalsContact O-N 3.12Å
38F32.6Very low34Very low211 Ų211140.6 Ų140.693%0.92578%0.784SS**PPolyproline II helixtrans-55.9119.2170.9-97.3-110.1000109P36P36-F38 PolarHBondContact O-N 3.07Å
39S30.6Very low35.1Very low103 Ų103138.1 Ų138.172%0.7277%0.768SS**PPolyproline II helixtrans-67.6136.8173.743.50000109.5A37 F41A37-S39 PolarHBondContact O-N 3.01Å; A37-S39 VanDerWaalsContact O-N 3.12Å; S39-F41 PolarHBondContact O-N 2.97Å
40P35.7Very low36.2Very low120 Ų120134.1 Ų134.178%0.77974%0.741SS**PPolyproline II helixtrans-61.5132.1169.526.7-32.8000108.5S42P40-S42 PolarHBondContact O-N 2.98Å; P40-S42 VanDerWaalsContact O-N 3.09Å
41F36.2Very low38.4Very low201 Ų201130.2 Ų130.288%0.88272%0.715SS**PPolyproline II helixtrans-51.3118.1-177.1-170.3-98.3000110.1S39 R43S39-F41 PolarHBondContact O-N 2.97Å; F41-R43 PolarHBondContact O-N 3.43Å
42S31.5Very low41.1Very low96 Ų96125.4 Ų125.467%0.67168%0.68SS**  trans-66.4107.5-173.5-174.60000109.4P40 R44P40-S42 PolarHBondContact O-N 2.98Å; P40-S42 VanDerWaalsContact O-N 3.09Å; S42-R44 PolarHBondContact O-N 3.41Å
43R35.8Very low44.1Very low237 Ų237121.6 Ų121.689%0.89465%0.65SS**  trans-62.489163.4-73.8-171.2178.2-163.5-0.8107.6F41 K45F41-R43 PolarHBondContact O-N 3.43Å; R43-K45 PolarHBondContact O-N 2.79Å
44R33Very low47Very low192 Ų192115 Ų11573%0.72561%0.61SS**  trans-49.8116160.8-77.9-175.2173.7-179.2-1.5106S42 Y46S42-R44 PolarHBondContact O-N 3.41Å; R44-Y46 HydrophobicContact CB-CD2 4.18Å; R44-Y46 HydrophobicContact CB-CE2 4.03Å; R44-Y46 PolarHBondContact O-N 2.63Å
45K31.8Very low49.8Very low207 Ų207113 Ų11390%0.958%0.584SS**  trans-66.693.7161.6-69.4-175.3179.4-176.20105.3R43 S47R43-K45 PolarHBondContact O-N 2.79Å; K45-S47 PolarHBondContact O-N 3.36Å
46Y39Very low52.4Low168 Ų168106 Ų10666%0.65955%0.548SS*.  trans-54.1137.7161.1-82.2-97.6000107R44R44-Y46 HydrophobicContact CB-CD2 4.18Å; R44-Y46 HydrophobicContact CB-CE2 4.03Å; R44-Y46 PolarHBondContact O-N 2.63Å
47S38.2Very low55.1Low100 Ų100103.5 Ų103.570%0.69953%0.53SS*.  trans-57.7159.7175.2-169.20000109.1K45 A49K45-S47 PolarHBondContact O-N 3.36Å; S47-A49 PolarHBondContact O-N 2.94Å
48T42.1Very low57.4Low142 Ų142104.9 Ų104.987%0.87152%0.521SS*.  trans-72.661.9155.453.40000108.7
49A51.1Low59.9Low34 Ų3494.9 Ų94.928%0.28148%0.477SS..  trans-66.1147.6159.700000107.7S47 M51S47-A49 PolarHBondContact O-N 2.94Å; A49-M51 PolarHBondContact O-N 3.33Å
50N56.1Low62.7Low57 Ų5791 Ų9131%0.30545%0.45SS..  trans-63.2135164.3-61.5-18.1000107.6D113 R114 D144N50-D113 VanDerWaalsContact CA-OD2 3.26Å; N50-D113 WeakPolarHBondContact CA-OD2 3.18Å; N50-D113 HydrophobicContact CB-CB 3.92Å; N50-R114 VanDerWaalsContact ND2-CZ 3.33Å; N50-D144 HydrophobicContact CB-CB 4.39Å; N50-D144 WeakPolarHBondContact CB-OD1 3.47Å; N50-D144 WeakPolarHBondContact CB-OD2 3.35Å; N50-D144 PolarHBondContact ND2-OD2 3.28Å; N50-D144 PolarHBondContact O-N 3.16Å
51M80.4Confident65.4Low56 Ų5686.2 Ų86.228%0.27642%0.418SS..EExtended strand (participates in β ladder)trans-136.8140.3-169.963.8-168.1-11300112A49 E53 R111 D113A49-M51 PolarHBondContact O-N 3.33Å; M51-E53 HydrophobicContact CE-CB 3.85Å; M51-E53 WeakPolarHBondContact CE-OE2 3.42Å; M51-R111 PolarHBondContact SD-NH1 3.37Å; M51-D113 PolarHBondContact N-OD2 2.84Å
52F89Confident68Low6 Ų676.9 Ų76.93%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-87.4126.7155.8168.9-123.9000108.7A54 V80 I85 Y110 R111 L116 M118 L140 R141 A142F52-A54 HydrophobicContact CE2-CB 3.59Å; F52-A54 HydrophobicContact CZ-CB 3.52Å; F52-V80 HydrophobicContact CD1-CG2 4.4Å; F52-V80 HydrophobicContact CD2-CG1 3.34Å; F52-V80 HydrophobicContact CD2-CG2 4.47Å; F52-V80 HydrophobicContact CE1-CG2 4.23Å; F52-V80 HydrophobicContact CE2-CG1 3.49Å; F52-V80 VanDerWaalsContact CE2-CG1 3.49Å; F52-V80 HydrophobicContact CE2-CG2 4.28Å; F52-V80 HydrophobicContact CG-CG1 3.92Å; F52-V80 HydrophobicContact CZ-CG1 4.19Å; F52-V80 HydrophobicContact CZ-CG2 4.16Å; F52-I85 HydrophobicContact CE2-CD1 4.42Å; F52-I85 HydrophobicContact CZ-CD1 3.84Å; F52-I85 HydrophobicContact CZ-CG1 4.41Å; F52-Y110 AromaticContact CE2-CE2 3.89Å; F52-Y110 HydrophobicContact CE2-CE2 3.89Å; F52-R111 WeakPolarHBondContact CA-O 3.41Å; F52-R111 WeakPolarHBondContact CD2-O 3.44Å; F52-L116 HydrophobicContact CB-CD2 4.17Å; F52-M118 HydrophobicContact CD1-CE 4.27Å; F52-M118 HydrophobicContact CD1-SD 4.06Å; F52-M118 HydrophobicContact CE1-CE 3.86Å; F52-M118 HydrophobicContact CE1-SD 4.23Å; F52-L140 HydrophobicContact CE1-CB 3.95Å; F52-L140 HydrophobicContact CZ-CB 4.33Å; F52-R141 WeakPolarHBondContact O-CA 3.37Å; F52-A142 HydrophobicContact CB-CB 4.31Å; F52-A142 HydrophobicContact CD1-CB 4.08Å; F52-A142 PolarHBondContact N-O 3.09Å; F52-A142 PolarHBondContact O-N 2.8Å
53E92.1Very high70.9Confident33 Ų3374.1 Ų74.115%0.15435%0.353CS..EExtended strand (participates in β ladder)trans-139.4123.4167.7178.4167.1-141.400110M51 Y110 R111 T139 L140 R141M51-E53 HydrophobicContact CE-CB 3.85Å; M51-E53 WeakPolarHBondContact CE-OE2 3.42Å; E53-Y110 CarbonylContact O-C 3.51Å; E53-Y110 WeakPolarHBondContact O-CA 3.24Å; E53-R111 PolarHBondContact N-O 2.84Å; E53-R111 PolarHBondContact O-N 3.09Å; E53-T139 HydrophobicContact CG-CG2 3.88Å; E53-L140 WeakPolarHBondContact CA-O 3.47Å; E53-R141 HydrophobicContact CB-CG 4.36Å; E53-R141 HydrophobicContact CG-CG 4.12Å; E53-R141 IonicContact OE1-CZ 2.62Å; E53-R141 IonicContact OE1-NE 3.78Å; E53-R141 PolarHBondContact OE1-NE 3Å; E53-R141 IonicContact OE1-NH2 3.19Å; E53-R141 PolarHBondContact OE1-NH2 3.27Å
54A93.3Very high73.6Confident1 Ų166.7 Ų66.71%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-130.5118.2175.300000110.7F52 F107 S109 Y110 T139 L140F52-A54 HydrophobicContact CE2-CB 3.59Å; F52-A54 HydrophobicContact CZ-CB 3.52Å; A54-F107 HydrophobicContact CB-CD1 3.92Å; A54-F107 HydrophobicContact CB-CE1 4Å; A54-F107 HydrophobicContact CB-CG 4.49Å; A54-S109 WeakPolarHBondContact CA-O 3.39Å; A54-Y110 HydrophobicContact CB-CD2 3.79Å; A54-Y110 HydrophobicContact CB-CE2 3.93Å; A54-T139 CarbonylContact O-C 3.55Å; A54-T139 WeakPolarHBondContact O-CA 2.94Å; A54-L140 PolarHBondContact N-O 2.83Å; A54-L140 PolarHBondContact O-N 2.04Å
55R93Very high76.5Confident47 Ų4757.5 Ų57.518%0.17729%0.293CS..EExtended strand (participates in β ladder)trans-107.9115.6-176.3-177.6177.917981.10.8110.6F107 D108 S109 I137 T139 E154R55-F107 CarbonylContact O-C 3.59Å; R55-F107 WeakPolarHBondContact O-CA 3.11Å; R55-F107 WeakPolarHBondContact O-CB 3.38Å; R55-D108 WeakPolarHBondContact CD-OD2 3.46Å; R55-D108 HydrophobicContact CG-CB 4.35Å; R55-D108 IonicContact NE-OD2 2.68Å; R55-D108 PolarHBondContact NE-OD2 2.96Å; R55-D108 PolarHBondContact O-N 3.3Å; R55-S109 PolarHBondContact N-O 3.18Å; R55-I137 HydrophobicContact CG-CG2 4.05Å; R55-T139 HydrophobicContact CB-CG2 4.28Å; R55-T139 PolarHBondContact NH1-OG1 2.9Å; R55-E154 IonicContact CZ-OE2 3.52Å; R55-E154 VanDerWaalsContact CZ-OE2 3.24Å; R55-E154 IonicContact NH1-OE2 3.57Å; R55-E154 PolarHBondContact NH1-OE2 3.06Å; R55-E154 IonicContact NH2-OE2 2.69Å; R55-E154 PolarHBondContact NH2-OE2 3.08Å
56L91.1Very high79.4Confident9 Ų947.7 Ų47.75%0.04725%0.25CC..EExtended strand (participates in β ladder)trans-114.1112.4-177.9-175.568000110.2Q58 I61 L62 G106 F107 I138 M294L56-Q58 PolarHBondContact O-N 2.82Å; L56-I61 HydrophobicContact CD2-CB 4.37Å; L56-L62 HydrophobicContact CD2-CB 3.93Å; L56-G106 WeakPolarHBondContact CD1-O 3.45Å; L56-F107 HydrophobicContact CB-CD1 4.05Å; L56-F107 HydrophobicContact CB-CE1 4.26Å; L56-F107 HydrophobicContact CD1-CD1 4.22Å; L56-F107 HydrophobicContact CD1-CE1 4.36Å; L56-I138 PolarHBondContact N-O 3.42Å; L56-I138 PolarHBondContact O-N 3.24Å; L56-M294 HydrophobicContact CD1-CE 3.79Å; L56-M294 HydrophobicContact CD1-SD 4.26Å
57V88.6Confident81.9Confident62 Ų6242.6 Ų42.638%0.37623%0.232SC..SBendtrans-64.5-41.4-179.1-175.60000111.5G59 D108 I137V57-G59 PolarHBondContact O-N 2.92Å; V57-D108 HydrophobicContact CG2-CB 3.59Å; V57-I137 HydrophobicContact CG1-CG1 4.37Å
58Q85Confident84.6Confident121 Ų12138 Ų3857%0.56520%0.2SC*.  trans-9273.4177.6-63.7-173.311.900110.7L56 S60 I61L56-Q58 PolarHBondContact O-N 2.82Å; Q58-S60 PolarHBondContact O-N 2.81Å; Q58-I61 HydrophobicContact CB-CD1 3.86Å; Q58-I61 HydrophobicContact CB-CG1 4.02Å; Q58-I61 WeakPolarHBondContact O-CB 3.33Å; Q58-I61 PolarHBondContact O-N 3.37Å
59G84.6Confident87Confident0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-55.1-25.8179.800000114.6V57 I61 L62 K63 D136 I138V57-G59 PolarHBondContact O-N 2.92Å; G59-I61 PolarHBondContact O-N 3.08Å; G59-L62 PolarHBondContact O-N 2.85Å; G59-K63 PolarHBondContact O-N 3.06Å; G59-D136 WeakPolarHBondContact CA-O 3.45Å; G59-D136 PolarHBondContact N-O 2.94Å; G59-I138 VanDerWaalsContact CA-CD1 3.48Å; G59-I138 WeakPolarHBondContact O-CD1 3.41Å
60S90.1Very high88.8Confident23 Ų2331.7 Ų31.716%0.16115%0.154CC..Hα-helixtrans-58.6-24.5171.858.70000114.7Q58 K64 N134Q58-S60 PolarHBondContact O-N 2.81Å; S60-K64 WeakPolarHBondContact O-CD 3.07Å; S60-K64 VanDerWaalsContact O-CG 3.23Å; S60-K64 WeakPolarHBondContact O-CG 3.11Å; S60-K64 PolarHBondContact O-N 2.69Å; S60-K64 VanDerWaalsContact O-N 3.09Å; S60-N134 VanDerWaalsContact CB-O 3.29Å; S60-N134 WeakPolarHBondContact CB-O 3.23Å; S60-N134 PolarHBondContact N-O 3.21Å; S60-N134 PolarHBondContact OG-O 3.44Å
61I91.6Very high90.4Very high19 Ų1932.3 Ų32.310%0.09716%0.158CC..Hα-helixtrans-65.9-51.5174.3-61.2175.9000110.3L56 Q58 G59 K63 K64 V65 L271 I291 M294L56-I61 HydrophobicContact CD2-CB 4.37Å; Q58-I61 HydrophobicContact CB-CD1 3.86Å; Q58-I61 HydrophobicContact CB-CG1 4.02Å; Q58-I61 WeakPolarHBondContact O-CB 3.33Å; Q58-I61 PolarHBondContact O-N 3.37Å; G59-I61 PolarHBondContact O-N 3.08Å; I61-K63 VanDerWaalsContact C-N 3.25Å; I61-K63 PolarHBondContact O-N 2.91Å; I61-K64 WeakPolarHBondContact O-CB 3.43Å; I61-K64 PolarHBondContact O-N 2.93Å; I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.33Å; I61-V65 PolarHBondContact O-N 2.87Å; I61-L271 HydrophobicContact CG2-CD2 4.27Å; I61-I291 HydrophobicContact CG2-CG2 3.4Å; I61-I291 VanDerWaalsContact CG2-CG2 3.4Å; I61-M294 HydrophobicContact CD1-SD 4.01Å; I61-M294 HydrophobicContact CG2-SD 3.84Å
62L90.9Very high90.8Very high5 Ų530.4 Ų30.43%0.02615%0.149CC..Hα-helixtrans-61.1-37.1-179.1-166.571.4000111.5L56 G59 V65 L66 W78 M125 L129 I138 L140L56-L62 HydrophobicContact CD2-CB 3.93Å; G59-L62 PolarHBondContact O-N 2.85Å; L62-V65 PolarHBondContact O-N 2.87Å; L62-L66 PolarHBondContact O-N 2.75Å; L62-W78 HydrophobicContact CD1-CH2 3.74Å; L62-W78 HydrophobicContact CD1-CZ3 3.87Å; L62-M125 HydrophobicContact CD2-CE 4.27Å; L62-L129 HydrophobicContact CB-CD1 4.13Å; L62-L129 HydrophobicContact CD2-CD1 3.71Å; L62-L129 HydrophobicContact CD2-CD2 4.28Å; L62-L129 HydrophobicContact CG-CD1 3.65Å; L62-I138 HydrophobicContact CD2-CD1 4.47Å; L62-I138 HydrophobicContact CD2-CG2 4.04Å; L62-L140 HydrophobicContact CD2-CD1 4.24Å; L62-L140 HydrophobicContact CD2-CD2 4.21Å
63K91.9Very high90.9Very high37 Ų3730.5 Ų30.516%0.16115%0.149CC..Hα-helixtrans-58.7-47.6172.1-67.8170.176.4178.40112G59 I61 E67 L129 A132 G133 N134G59-K63 PolarHBondContact O-N 3.06Å; I61-K63 VanDerWaalsContact C-N 3.25Å; I61-K63 PolarHBondContact O-N 2.91Å; K63-E67 WeakPolarHBondContact O-CG 3.21Å; K63-E67 PolarHBondContact O-N 2.64Å; K63-E67 VanDerWaalsContact O-N 3.12Å; K63-L129 VanDerWaalsContact CE-O 3.24Å; K63-L129 WeakPolarHBondContact CE-O 3.39Å; K63-L129 HydrophobicContact CG-CB 3.97Å; K63-L129 HydrophobicContact CG-CD1 4.3Å; K63-A132 HydrophobicContact CD-CB 4.48Å; K63-A132 PolarHBondContact NZ-O 3.36Å; K63-G133 PolarHBondContact NZ-O 3.45Å; K63-N134 PolarHBondContact NZ-OD1 3.14Å
64K93.1Very high90.8Very high81 Ų8133.4 Ų33.435%0.35217%0.169SC..Hα-helixtrans-65.1-40.8177.2-70165176.6-1710112.3S60 I61 E67 A68 P270 L271S60-K64 WeakPolarHBondContact O-CD 3.07Å; S60-K64 VanDerWaalsContact O-CG 3.23Å; S60-K64 WeakPolarHBondContact O-CG 3.11Å; S60-K64 PolarHBondContact O-N 2.69Å; S60-K64 VanDerWaalsContact O-N 3.09Å; I61-K64 WeakPolarHBondContact O-CB 3.43Å; I61-K64 PolarHBondContact O-N 2.93Å; K64-E67 PolarHBondContact O-N 2.85Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 2.82Å; K64-A68 VanDerWaalsContact O-N 3.08Å; K64-P270 HydrophobicContact CD-CB 4.15Å; K64-P270 WeakPolarHBondContact CD-O 3.36Å; K64-P270 VanDerWaalsContact CE-O 3.28Å; K64-P270 WeakPolarHBondContact CE-O 3.33Å; K64-P270 HydrophobicContact CG-CB 4.16Å; K64-P270 PolarHBondContact NZ-O 2.89Å; K64-L271 HydrophobicContact CB-CD2 3.43Å; K64-L271 VanDerWaalsContact CB-CD2 3.43Å; K64-L271 HydrophobicContact CB-CG 3.96Å; K64-L271 HydrophobicContact CD-CD2 4.11Å; K64-L271 HydrophobicContact CG-CD2 4.45Å
65V93.5Very high90.6Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-59.4-50.1176.6171.60000110.5I61 L62 E67 A68 L69 L100 L271 I291 I297I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.33Å; I61-V65 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 2.87Å; V65-E67 PolarHBondContact O-N 2.99Å; V65-A68 PolarHBondContact O-N 2.79Å; V65-A68 VanDerWaalsContact O-N 3.14Å; V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.98Å; V65-L100 HydrophobicContact CG1-CD1 3.86Å; V65-L100 HydrophobicContact CG1-CD2 3.69Å; V65-L100 HydrophobicContact CG1-CG 4.44Å; V65-L100 HydrophobicContact CG2-CD1 4.49Å; V65-L271 HydrophobicContact CG2-CD1 4.21Å; V65-L271 HydrophobicContact CG2-CD2 3.8Å; V65-I291 HydrophobicContact CG2-CD1 3.83Å; V65-I297 HydrophobicContact CG1-CD1 4.32Å; V65-I297 HydrophobicContact CG2-CD1 4.48Å
66L92.7Very high90.6Very high1 Ų135 Ų351%0.00518%0.179CC..Hα-helixtrans-62.4-42.4177.8-69.7-167.9000113.2L62 A68 L69 K70 W78 L122 M125 L129L62-L66 PolarHBondContact O-N 2.75Å; L66-A68 PolarHBondContact O-N 3.19Å; L66-L69 PolarHBondContact O-N 2.62Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 2.88Å; L66-W78 HydrophobicContact CD2-CH2 4.17Å; L66-W78 HydrophobicContact CD2-CZ2 3.63Å; L66-L122 HydrophobicContact CD2-CD2 4.15Å; L66-M125 HydrophobicContact CD1-CB 3.76Å; L66-M125 HydrophobicContact CD1-CG 3.6Å; L66-M125 HydrophobicContact CD1-SD 3.69Å; L66-M125 HydrophobicContact CD2-SD 3.89Å; L66-M125 HydrophobicContact CG-SD 4.33Å; L66-L129 HydrophobicContact CD1-CD1 3.41Å; L66-L129 VanDerWaalsContact CD1-CD1 3.41Å; L66-L129 HydrophobicContact CD1-CG 3.82Å; L66-L129 HydrophobicContact CG-CD1 4.01Å
67E92.1Very high90.6Very high60 Ų6034.9 Ų34.928%0.2818%0.179SC..Hα-helixtrans-65.4-20.2178-67.7-68.9113.800113K63 K64 V65 K70 S126 K130K63-E67 WeakPolarHBondContact O-CG 3.21Å; K63-E67 PolarHBondContact O-N 2.64Å; K63-E67 VanDerWaalsContact O-N 3.12Å; K64-E67 PolarHBondContact O-N 2.85Å; V65-E67 PolarHBondContact O-N 2.99Å; E67-K70 WeakPolarHBondContact O-CE 3.28Å; E67-K70 WeakPolarHBondContact OE1-CD 3.45Å; E67-K70 IonicContact OE1-NZ 3.28Å; E67-K70 WeakPolarHBondContact OE2-CE 3.48Å; E67-K70 IonicContact OE2-NZ 3.49Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å; E67-S126 PolarHBondContact OE1-OG 3.01Å; E67-K130 VanDerWaalsContact OE1-CE 3.24Å; E67-K130 WeakPolarHBondContact OE1-CE 3.42Å; E67-K130 IonicContact OE1-NZ 2.71Å; E67-K130 PolarHBondContact OE1-NZ 2.87Å; E67-K130 IonicContact OE2-NZ 3.22Å
68A93.1Very high90.7Very high4 Ų432 Ų323%0.03316%0.161CC..Hα-helixtrans-90.3-8.8174.100000114.6K64 V65 L66 K267 A268 L271 I297 Y299K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 2.82Å; K64-A68 VanDerWaalsContact O-N 3.08Å; V65-A68 PolarHBondContact O-N 2.79Å; V65-A68 VanDerWaalsContact O-N 3.14Å; L66-A68 PolarHBondContact O-N 3.19Å; A68-K267 HydrophobicContact CB-CB 4.4Å; A68-A268 HydrophobicContact CB-CB 4Å; A68-L271 HydrophobicContact CB-CD1 4.47Å; A68-I297 HydrophobicContact CB-CD1 4.41Å; A68-Y299 WeakPolarHBondContact CB-OH 3.38Å; A68-Y299 PolarHBondContact O-OH 2.67Å
69L92.8Very high91Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-110.8-42.9-179.7-66.5178000113.3V65 L66 D71 L72 I73 L87 V98 L100 L122V65-L69 HydrophobicContact CG1-CD1 3.87Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 2.62Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L69-D71 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 3.06Å; L69-I73 HydrophobicContact CB-CD1 4.26Å; L69-I73 HydrophobicContact CB-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.39Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.3Å; L69-L87 HydrophobicContact CD1-CD1 4.37Å; L69-L87 HydrophobicContact CD1-CD2 4.37Å; L69-V98 HydrophobicContact CD2-CB 4.37Å; L69-V98 HydrophobicContact CD2-CG1 4.05Å; L69-V98 HydrophobicContact CD2-CG2 3.48Å; L69-V98 VanDerWaalsContact CD2-CG2 3.48Å; L69-L100 HydrophobicContact CD1-CD2 4.23Å; L69-L122 HydrophobicContact CB-CD1 4.09Å
70K89.6Confident91.4Very high44 Ų4427.5 Ų27.519%0.19114%0.142CC..THydrogen-bonded Turntrans-51.5-21.6-170.764.1168.4-172.3170.10117.1L66 E67 I73L66-K70 WeakPolarHBondContact O-CB 3.45Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 2.88Å; E67-K70 WeakPolarHBondContact O-CE 3.28Å; E67-K70 WeakPolarHBondContact OE1-CD 3.45Å; E67-K70 IonicContact OE1-NZ 3.28Å; E67-K70 WeakPolarHBondContact OE2-CE 3.48Å; E67-K70 IonicContact OE2-NZ 3.49Å; E67-K70 PolarHBondContact OE2-NZ 2.86Å; K70-I73 CarbonylContact C-O 3.55Å; K70-I73 WeakPolarHBondContact CA-O 3.24Å
71D89.3Confident91.5Very high70 Ų7027.3 Ų27.337%0.37414%0.14SC..THydrogen-bonded Turntrans-104.6-6.3-173.7-63.3-29.9000111.8L69 K267L69-D71 PolarHBondContact O-N 3.41Å; D71-K267 HydrophobicContact CB-CD 4.39Å; D71-K267 VanDerWaalsContact CG-NZ 3.31Å; D71-K267 WeakPolarHBondContact OD2-CD 3.26Å; D71-K267 WeakPolarHBondContact OD2-CE 3.38Å; D71-K267 IonicContact OD2-NZ 2.67Å; D71-K267 PolarHBondContact OD2-NZ 3.36Å
72L89.6Confident91.4Very high16 Ų1630.8 Ų30.88%0.08417%0.166CC..THydrogen-bonded Turntrans-102.9-37.1171-177.268.8000110.5L69 D91 V98 Y261 F264 F265 Y299L69-L72 PolarHBondContact O-N 3.06Å; L72-D91 HydrophobicContact CD1-CB 3.87Å; L72-D91 HydrophobicContact CG-CB 4.29Å; L72-V98 HydrophobicContact CD2-CB 3.96Å; L72-V98 HydrophobicContact CD2-CG1 4.13Å; L72-Y261 HydrophobicContact CD1-CD1 3.84Å; L72-Y261 HydrophobicContact CD1-CE1 3.98Å; L72-F264 HydrophobicContact CD1-CD2 4.12Å; L72-F265 HydrophobicContact CD1-CE1 4.39Å; L72-F265 HydrophobicContact CD2-CE1 4.14Å; L72-Y299 HydrophobicContact CD2-CD1 3.84Å; L72-Y299 HydrophobicContact CD2-CE1 3.99Å
73I91.1Very high91.4Very high7 Ų734 Ų344%0.03619%0.189CC..  trans-135.1133.9-176.845.4166.2000110.5L69 K70 A76 L87 M90 V98 L122L69-I73 HydrophobicContact CB-CD1 4.26Å; L69-I73 HydrophobicContact CB-CG1 4.27Å; L69-I73 HydrophobicContact CD2-CD1 4.39Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.37Å; L69-I73 PolarHBondContact O-N 3.3Å; K70-I73 CarbonylContact C-O 3.55Å; K70-I73 WeakPolarHBondContact CA-O 3.24Å; I73-A76 HydrophobicContact CD1-CB 4.04Å; I73-L87 HydrophobicContact CD1-CD2 4.09Å; I73-M90 WeakPolarHBondContact CG2-O 2.83Å; I73-V98 HydrophobicContact CD1-CG1 3.67Å; I73-V98 HydrophobicContact CG1-CG1 4.3Å; I73-L122 HydrophobicContact CD1-CD1 3.64Å; I73-L122 HydrophobicContact CG1-CD1 3.72Å
74T89.3Confident91.5Very high95 Ų9532.3 Ų32.358%0.58318%0.182SC*.SBendtrans-84.3-40.8-177.945.60000112.6L122T74-L122 PolarHBondContact O-N 3.34Å
75E90.3Very high91.5Very high76 Ų7628.6 Ų28.636%0.35517%0.166SC..EExtended strand (participates in β ladder)trans-143.4138-170.2-51.9-170147.200107.4V120 N121 M169 L171E75-V120 WeakPolarHBondContact CA-O 3.31Å; E75-N121 HydrophobicContact CG-CB 4.27Å; E75-N121 PolarHBondContact OE1-ND2 3.14Å; E75-M169 HydrophobicContact CB-SD 4.07Å; E75-M169 HydrophobicContact CG-SD 4.18Å; E75-M169 WeakPolarHBondContact OE1-CE 3.38Å; E75-L171 HydrophobicContact CB-CD1 4.35Å
76A91.3Very high91.5Very high4 Ų430.5 Ų30.53%0.03318%0.18CC..EExtended strand (participates in β ladder)trans-157.7153.6-178.400000111.3I73 L87 V120 L122I73-A76 HydrophobicContact CD1-CB 4.04Å; A76-L87 HydrophobicContact CB-CD1 3.6Å; A76-L87 HydrophobicContact CB-CG 4.1Å; A76-V120 PolarHBondContact N-O 2.95Å; A76-V120 VanDerWaalsContact N-O 3.11Å; A76-V120 PolarHBondContact O-N 3.15Å; A76-L122 HydrophobicContact CB-CD1 4.29Å
77C91.3Very high91.5Very high7 Ų730.5 Ų30.55%0.04718%0.18CC..EExtended strand (participates in β ladder)trans-80.7140.2170.7-166.80000111.4L87 M118 V173C77-L87 WeakPolarHBondContact O-CB 3.46Å; C77-L87 WeakPolarHBondContact O-CG 3.39Å; C77-M118 CarbonylContact C-O 3.59Å; C77-M118 WeakPolarHBondContact CA-O 3.35Å; C77-M118 PolarHBondContact SG-N 2.99Å; C77-V173 HydrophobicContact CB-CG1 4.41Å; C77-V173 HydrophobicContact CB-CG2 3.35Å
78W92Very high91.5Very high1 Ų129.1 Ų29.10%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-105.1101.3168.2-70.953.5000106.9L62 L66 V80 I85 L87 L100 M118 V120 L122 M125L62-W78 HydrophobicContact CD1-CH2 3.74Å; L62-W78 HydrophobicContact CD1-CZ3 3.87Å; L66-W78 HydrophobicContact CD2-CH2 4.17Å; L66-W78 HydrophobicContact CD2-CZ2 3.63Å; W78-V80 PolarHBondContact O-N 2.8Å; W78-I85 HydrophobicContact CB-CG2 4.41Å; W78-I85 HydrophobicContact CE3-CG2 3.75Å; W78-I85 HydrophobicContact CZ3-CG2 4.38Å; W78-L87 HydrophobicContact CG-CD1 4.47Å; W78-L100 HydrophobicContact CH2-CD2 4.31Å; W78-M118 HydrophobicContact CB-CB 4.3Å; W78-M118 HydrophobicContact CB-CE 3.98Å; W78-M118 PolarHBondContact N-O 2.87Å; W78-M118 PolarHBondContact O-N 2.95Å; W78-V120 HydrophobicContact CG-CG2 4.43Å; W78-L122 HydrophobicContact CZ2-CD2 4.49Å; W78-M125 HydrophobicContact CH2-CE 4.48Å; W78-M125 HydrophobicContact CZ2-SD 4.23Å
79D91.8Very high91.5Very high25 Ų2530.1 Ų30.113%0.13418%0.18CC..EExtended strand (participates in β ladder)trans-79.6106.2177.4-69.9-41.2000109.1S86 Q175D79-S86 PolarHBondContact N-O 2.92Å; D79-S86 PolarHBondContact O-N 3Å; D79-S86 PolarHBondContact O-OG 2.78Å; D79-Q175 PolarHBondContact OD2-NE2 3.25Å
80V92.2Very high91.4Very high3 Ų333 Ų332%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-92.8131.1177.3-177.30000108.8F52 W78 Y110 C112 N115 L116 M118F52-V80 HydrophobicContact CD1-CG2 4.4Å; F52-V80 HydrophobicContact CD2-CG1 3.34Å; F52-V80 HydrophobicContact CD2-CG2 4.47Å; F52-V80 HydrophobicContact CE1-CG2 4.23Å; F52-V80 HydrophobicContact CE2-CG1 3.49Å; F52-V80 VanDerWaalsContact CE2-CG1 3.49Å; F52-V80 HydrophobicContact CE2-CG2 4.28Å; F52-V80 HydrophobicContact CG-CG1 3.92Å; F52-V80 HydrophobicContact CZ-CG1 4.19Å; F52-V80 HydrophobicContact CZ-CG2 4.16Å; W78-V80 PolarHBondContact O-N 2.8Å; V80-Y110 WeakPolarHBondContact CG1-OH 3.32Å; V80-C112 HydrophobicContact CG1-CB 4.13Å; V80-N115 CarbonylContact O-C 3.57Å; V80-N115 WeakPolarHBondContact O-CA 3.42Å; V80-L116 HydrophobicContact CB-CB 4.23Å; V80-L116 WeakPolarHBondContact CB-O 3.47Å; V80-L116 PolarHBondContact N-O 2.75Å; V80-L116 PolarHBondContact O-N 2.88Å; V80-M118 HydrophobicContact CG2-CE 3.62Å; V80-M118 HydrophobicContact CG2-SD 4.37Å
81S92.1Very high91.4Very high19 Ų1931.2 Ų31.213%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-143.4169.5178.269.90000111.2S83 G84 Y110 C112S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-N 3.45Å; S81-S83 PolarHBondContact OG-OG 2.71Å; S81-G84 PolarHBondContact N-O 2.89Å; S81-G84 PolarHBondContact O-N 2.84Å; S81-G84 VanDerWaalsContact O-O 3.12Å; S81-G84 PolarHBondContact OG-O 2.85Å; S81-G84 VanDerWaalsContact OG-O 3.1Å; S81-Y110 WeakPolarHBondContact O-CE1 3.36Å; S81-Y110 PolarHBondContact O-OH 2.92Å; S81-C112 VanDerWaalsContact CA-SG 3.59Å
82S90.4Very high91.3Very high91 Ų9133.5 Ų33.564%0.63621%0.208SC*.THydrogen-bonded Turntrans-58.8-18.3173.657.80000114.3H104S82-H104 PolarHBondContact O-CD2 3.03Å; S82-H104 VanDerWaalsContact O-CD2 3.26Å
83S91.1Very high91.3Very high73 Ų7336.1 Ų36.151%0.5123%0.228SC..THydrogen-bonded Turntrans-80.8-19.7175.174.10000114.2S81 H104S81-S83 PolarHBondContact O-N 3.19Å; S81-S83 PolarHBondContact OG-N 3.45Å; S81-S83 PolarHBondContact OG-OG 2.71Å; S83-H104 PolarHBondContact O-CD2 3.33Å; S83-H104 VanDerWaalsContact O-CD2 3.3Å; S83-H104 PolarHBondContact O-N 3.34Å
84G92.8Very high91Very high2 Ų242.2 Ų42.22%0.02126%0.256CS..EExtended strand (participates in β ladder)trans133.3-163.8-168.200000112.8S81 L102 Y110S81-G84 PolarHBondContact N-O 2.89Å; S81-G84 PolarHBondContact O-N 2.84Å; S81-G84 VanDerWaalsContact O-O 3.12Å; S81-G84 PolarHBondContact OG-O 2.85Å; S81-G84 VanDerWaalsContact OG-O 3.1Å; G84-L102 CarbonylContact C-O 3.56Å; G84-L102 VanDerWaalsContact CA-O 3.29Å; G84-L102 WeakPolarHBondContact CA-O 3.38Å; G84-Y110 VanDerWaalsContact C-OH 3.22Å; G84-Y110 WeakPolarHBondContact CA-OH 3.47Å; G84-Y110 PolarHBondContact O-OH 2.82Å
85I93.7Very high91.1Very high2 Ų240.5 Ų40.51%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-106.6127.3-178.7-48.9176.9000109.2F52 W78 L102 F107 Y110F52-I85 HydrophobicContact CE2-CD1 4.42Å; F52-I85 HydrophobicContact CZ-CD1 3.84Å; F52-I85 HydrophobicContact CZ-CG1 4.41Å; W78-I85 HydrophobicContact CB-CG2 4.41Å; W78-I85 HydrophobicContact CE3-CG2 3.75Å; W78-I85 HydrophobicContact CZ3-CG2 4.38Å; I85-L102 HydrophobicContact CB-CB 4.39Å; I85-L102 PolarHBondContact N-O 3.18Å; I85-L102 PolarHBondContact O-N 3.3Å; I85-F107 HydrophobicContact CD1-CE1 4.43Å; I85-F107 HydrophobicContact CD1-CZ 3.83Å; I85-F107 HydrophobicContact CG1-CZ 4.4Å; I85-Y110 HydrophobicContact CD1-CE2 4.43Å; I85-Y110 HydrophobicContact CG1-CE2 4Å
86S93.3Very high91.2Very high41 Ų4137 Ų3729%0.28723%0.229SC..EExtended strand (participates in β ladder)trans-116.7155.4169.3430000111.3D79 L100D79-S86 PolarHBondContact N-O 2.92Å; D79-S86 PolarHBondContact O-N 3Å; D79-S86 PolarHBondContact O-OG 2.78Å; S86-L100 CarbonylContact C-O 3.56Å; S86-L100 VanDerWaalsContact CA-O 3.29Å; S86-L100 WeakPolarHBondContact CA-O 3.19Å
87L93.3Very high91.2Very high1 Ų137.9 Ų37.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-141136.5166.5161.9161000107.9L69 I73 A76 C77 W78 V98 Q99 L100L69-L87 HydrophobicContact CD1-CD1 4.37Å; L69-L87 HydrophobicContact CD1-CD2 4.37Å; I73-L87 HydrophobicContact CD1-CD2 4.09Å; A76-L87 HydrophobicContact CB-CD1 3.6Å; A76-L87 HydrophobicContact CB-CG 4.1Å; C77-L87 WeakPolarHBondContact O-CB 3.46Å; C77-L87 WeakPolarHBondContact O-CG 3.39Å; W78-L87 HydrophobicContact CG-CD1 4.47Å; L87-V98 HydrophobicContact CD2-CG1 4.33Å; L87-Q99 WeakPolarHBondContact O-CA 3.49Å; L87-L100 HydrophobicContact CB-CB 4.16Å; L87-L100 HydrophobicContact CB-CD2 4.33Å; L87-L100 HydrophobicContact CD2-CB 4.27Å; L87-L100 PolarHBondContact N-O 2.86Å; L87-L100 PolarHBondContact O-N 3.2Å
88Q92.2Very high91.4Very high30 Ų3037.6 Ų37.614%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-132.3133.2171.9-169.1-178.339.700108.6L97 V98 L176Q88-L97 HydrophobicContact CG-CD1 4.15Å; Q88-L97 HydrophobicContact CG-CD2 4.16Å; Q88-L97 HydrophobicContact CG-CG 4.34Å; Q88-V98 WeakPolarHBondContact CA-O 3.26Å; Q88-L176 PolarHBondContact NE2-O 3.14Å; Q88-L176 PolarHBondContact OE1-O 3.21Å
89S91.4Very high91.5Very high26 Ų2639.8 Ų39.818%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-159.5149.1179-170.80000111.3L97 V98S89-L97 WeakPolarHBondContact O-CA 3.39Å; S89-V98 PolarHBondContact N-O 3.07Å; S89-V98 VanDerWaalsContact N-O 3.09Å; S89-V98 PolarHBondContact O-N 3.15Å
90M91.3Very high91.6Very high59 Ų5938.6 Ų38.629%0.29124%0.235SC..EExtended strand (participates in β ladder)trans-95.2152.9171-72.2179.8-80.400110.6I73 H94 S96 L97 L176I73-M90 WeakPolarHBondContact CG2-O 2.83Å; M90-H94 HydrophobicContact SD-CB 4.4Å; M90-H94 PolarHBondContact SD-ND1 3.37Å; M90-H94 VanDerWaalsContact SD-ND1 3.39Å; M90-S96 CarbonylContact C-O 3.54Å; M90-S96 WeakPolarHBondContact CA-O 3.24Å; M90-L97 HydrophobicContact CG-CB 4.29Å; M90-L97 HydrophobicContact CG-CD1 4.19Å; M90-L97 HydrophobicContact CG-CG 4.47Å; M90-L176 HydrophobicContact CE-CD1 3.75Å; M90-L176 HydrophobicContact CG-CD1 4.3Å; M90-L176 HydrophobicContact SD-CD1 3.78Å
91D90.6Very high91.7Very high8 Ų840.3 Ų40.34%0.04325%0.246CC..  trans-69.3164.6167.790.6-74.2000111.5L72 S93 H94 V95 S96 Y261L72-D91 HydrophobicContact CD1-CB 3.87Å; L72-D91 HydrophobicContact CG-CB 4.29Å; D91-S93 PolarHBondContact O-N 2.79Å; D91-S93 VanDerWaalsContact OD2-CB 3.24Å; D91-S93 WeakPolarHBondContact OD2-CB 3.33Å; D91-S93 PolarHBondContact OD2-N 3.41Å; D91-S93 PolarHBondContact OD2-OG 2.86Å; D91-H94 PolarHBondContact O-N 3.44Å; D91-H94 PolarHBondContact OD1-N 2.78Å; D91-V95 PolarHBondContact OD1-N 3.11Å; D91-S96 PolarHBondContact N-O 2.86Å; D91-S96 PolarHBondContact OD1-N 3.22Å; D91-Y261 HydrophobicContact CB-CE1 4.17Å; D91-Y261 WeakPolarHBondContact OD2-CE1 3.47Å; D91-Y261 PolarHBondContact OD2-OH 3.26Å
92S86.6Confident91.9Very high118 Ų11839.7 Ų39.783%0.82524%0.241SC*.THydrogen-bonded Turntrans-64.4-10-178.354.60000115.2
93S88.6Confident92Very high71 Ų7140.2 Ų40.250%0.49723%0.229SC..THydrogen-bonded Turntrans-101.4-5.2173.8-42.10000113.3D91 V95 Y261D91-S93 PolarHBondContact O-N 2.79Å; D91-S93 VanDerWaalsContact OD2-CB 3.24Å; D91-S93 WeakPolarHBondContact OD2-CB 3.33Å; D91-S93 PolarHBondContact OD2-N 3.41Å; D91-S93 PolarHBondContact OD2-OG 2.86Å; S93-V95 PolarHBondContact O-N 3Å; S93-Y261 WeakPolarHBondContact CB-OH 3.45Å; S93-Y261 PolarHBondContact OG-OH 2.61Å
94H86.6Confident92.1Very high135 Ų13540.2 Ų40.263%0.62522%0.221SC*.SBendtrans55.228.9-172.6-57.1-93.1000114.5M90 D91M90-H94 HydrophobicContact SD-CB 4.4Å; M90-H94 PolarHBondContact SD-ND1 3.37Å; M90-H94 VanDerWaalsContact SD-ND1 3.39Å; D91-H94 PolarHBondContact O-N 3.44Å; D91-H94 PolarHBondContact OD1-N 2.78Å
95V89.6Confident91.9Very high59 Ų5945.8 Ų45.836%0.35825%0.25SS..SBendtrans-98-23.6178.5176.90000111.3D91 S93 Y261 L301 A302D91-V95 PolarHBondContact OD1-N 3.11Å; S93-V95 PolarHBondContact O-N 3Å; V95-Y261 HydrophobicContact CB-CE2 4.46Å; V95-Y261 HydrophobicContact CG1-CE2 4.24Å; V95-L301 HydrophobicContact CG1-CD1 4.06Å; V95-A302 HydrophobicContact CG1-CB 4.49Å; V95-A302 PolarHBondContact O-N 3.39Å
96S92.6Very high91.6Very high3 Ų346.9 Ų46.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-130.9142.1177.7-173.40000112M90 D91 F265 Y300M90-S96 CarbonylContact C-O 3.54Å; M90-S96 WeakPolarHBondContact CA-O 3.24Å; D91-S96 PolarHBondContact N-O 2.86Å; D91-S96 PolarHBondContact OD1-N 3.22Å; S96-F265 WeakPolarHBondContact OG-CE1 3.34Å; S96-F265 VanDerWaalsContact OG-CZ 3.29Å; S96-F265 WeakPolarHBondContact OG-CZ 2.88Å; S96-Y300 WeakPolarHBondContact CA-O 3.43Å; S96-Y300 WeakPolarHBondContact CB-O 3.21Å; S96-Y300 PolarHBondContact OG-O 2.96Å
97L92.8Very high91.5Very high22 Ų2246 Ų4612%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-118141.2170.5178.3150.8000109Q88 S89 M90 Q99 L176 I178 Y300Q88-L97 HydrophobicContact CG-CD1 4.15Å; Q88-L97 HydrophobicContact CG-CD2 4.16Å; Q88-L97 HydrophobicContact CG-CG 4.34Å; S89-L97 WeakPolarHBondContact O-CA 3.39Å; M90-L97 HydrophobicContact CG-CB 4.29Å; M90-L97 HydrophobicContact CG-CD1 4.19Å; M90-L97 HydrophobicContact CG-CG 4.47Å; L97-Q99 HydrophobicContact CD2-CB 4.39Å; L97-L176 HydrophobicContact CD1-CB 4.32Å; L97-L176 HydrophobicContact CD1-CD1 3.67Å; L97-I178 HydrophobicContact CD2-CD1 3.9Å; L97-Y300 HydrophobicContact CD2-CD2 3.57Å; L97-Y300 HydrophobicContact CD2-CE2 4.03Å; L97-Y300 HydrophobicContact CD2-CG 4.28Å; L97-Y300 PolarHBondContact N-O 3.33Å; L97-Y300 VanDerWaalsContact N-O 3.09Å; L97-Y300 PolarHBondContact O-N 2.94Å
98V94.1Very high91.4Very high1 Ų151 Ų511%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-117.1136.3171.264.60000111.1L69 L72 I73 L87 Q88 S89 I297 Y299L69-V98 HydrophobicContact CD2-CB 4.37Å; L69-V98 HydrophobicContact CD2-CG1 4.05Å; L69-V98 HydrophobicContact CD2-CG2 3.48Å; L69-V98 VanDerWaalsContact CD2-CG2 3.48Å; L72-V98 HydrophobicContact CD2-CB 3.96Å; L72-V98 HydrophobicContact CD2-CG1 4.13Å; I73-V98 HydrophobicContact CD1-CG1 3.67Å; I73-V98 HydrophobicContact CG1-CG1 4.3Å; L87-V98 HydrophobicContact CD2-CG1 4.33Å; Q88-V98 WeakPolarHBondContact CA-O 3.26Å; S89-V98 PolarHBondContact N-O 3.07Å; S89-V98 VanDerWaalsContact N-O 3.09Å; S89-V98 PolarHBondContact O-N 3.15Å; V98-I297 HydrophobicContact CG2-CG2 3.66Å; V98-Y299 HydrophobicContact CB-CD1 3.96Å; V98-Y299 HydrophobicContact CB-CE1 4.27Å; V98-Y299 HydrophobicContact CG2-CD1 3.56Å; V98-Y299 HydrophobicContact CG2-CE1 3.57Å; V98-Y299 HydrophobicContact CG2-CG 4.36Å
99Q93.9Very high91.3Very high47 Ų4752 Ų5222%0.2229%0.29CS..EExtended strand (participates in β ladder)trans-123.1120175.3-173.8-174.438.900109L87 L97 I297 K298 Y300L87-Q99 WeakPolarHBondContact O-CA 3.49Å; L97-Q99 HydrophobicContact CD2-CB 4.39Å; Q99-I297 CarbonylContact O-C 3.59Å; Q99-I297 WeakPolarHBondContact O-CA 3.34Å; Q99-K298 HydrophobicContact CB-CB 4.43Å; Q99-K298 PolarHBondContact N-O 3.04Å; Q99-K298 PolarHBondContact O-N 3.46Å; Q99-Y300 HydrophobicContact CB-CE2 4.13Å; Q99-Y300 PolarHBondContact OE1-OH 3.09Å
100L95Very high91.3Very high0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-107.1134.6170.7168.471.2000108.5V65 L69 W78 S86 L87 L102 I291 I297V65-L100 HydrophobicContact CG1-CD1 3.86Å; V65-L100 HydrophobicContact CG1-CD2 3.69Å; V65-L100 HydrophobicContact CG1-CG 4.44Å; V65-L100 HydrophobicContact CG2-CD1 4.49Å; L69-L100 HydrophobicContact CD1-CD2 4.23Å; W78-L100 HydrophobicContact CH2-CD2 4.31Å; S86-L100 CarbonylContact C-O 3.56Å; S86-L100 VanDerWaalsContact CA-O 3.29Å; S86-L100 WeakPolarHBondContact CA-O 3.19Å; L87-L100 HydrophobicContact CB-CB 4.16Å; L87-L100 HydrophobicContact CB-CD2 4.33Å; L87-L100 HydrophobicContact CD2-CB 4.27Å; L87-L100 PolarHBondContact N-O 2.86Å; L87-L100 PolarHBondContact O-N 3.2Å; L100-L102 HydrophobicContact CD1-CD1 4.44Å; L100-L102 HydrophobicContact CD1-CD2 3.98Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.49Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L100-I291 HydrophobicContact CD1-CD1 3.66Å; L100-I297 HydrophobicContact CD1-CD1 4.34Å; L100-I297 HydrophobicContact CD1-CG1 3.87Å
101T94.7Very high91.3Very high39 Ų3955 Ų5524%0.23930%0.295CS..EExtended strand (participates in β ladder)trans-131.5124.8171.8-53.70000109.6G295 H296T101-G295 CarbonylContact O-C 3.58Å; T101-G295 WeakPolarHBondContact O-CA 3.47Å; T101-H296 PolarHBondContact N-O 3.26Å; T101-H296 PolarHBondContact O-N 3.21Å; T101-H296 PolarHBondContact OG1-NE2 3.02Å
102L94.8Very high91.3Very high5 Ų555.7 Ų55.73%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-127.2104175.8-59.7177.1000109.5G84 I85 L100 F107 I291 M294G84-L102 CarbonylContact C-O 3.56Å; G84-L102 VanDerWaalsContact CA-O 3.29Å; G84-L102 WeakPolarHBondContact CA-O 3.38Å; I85-L102 HydrophobicContact CB-CB 4.39Å; I85-L102 PolarHBondContact N-O 3.18Å; I85-L102 PolarHBondContact O-N 3.3Å; L100-L102 HydrophobicContact CD1-CD1 4.44Å; L100-L102 HydrophobicContact CD1-CD2 3.98Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 4.31Å; L100-L102 HydrophobicContact CD2-CG 4.49Å; L100-L102 HydrophobicContact CG-CG 4.22Å; L102-F107 HydrophobicContact CB-CE2 4.2Å; L102-F107 HydrophobicContact CB-CZ 4.23Å; L102-F107 HydrophobicContact CD1-CZ 4.41Å; L102-I291 HydrophobicContact CD2-CD1 3.59Å; L102-M294 HydrophobicContact CB-CE 4.3Å; L102-M294 HydrophobicContact CD2-CE 3.96Å; L102-M294 HydrophobicContact CD2-CG 4.14Å; L102-M294 HydrophobicContact CD2-SD 4.07Å
103R93.9Very high91.3Very high102 Ų10253.1 Ų53.139%0.38528%0.277SS..EExtended strand (participates in β ladder)trans-66.3151.7-179.8-65.4-177.4-73.5-98.23.9112D105 G106 F107 D293 M294R103-D105 PolarHBondContact O-N 3.26Å; R103-G106 PolarHBondContact O-N 3.42Å; R103-G106 VanDerWaalsContact O-N 3.09Å; R103-F107 WeakPolarHBondContact O-CD2 3.34Å; R103-F107 WeakPolarHBondContact O-CE2 3.37Å; R103-D293 PolarHBondContact NH2-O 3.04Å; R103-M294 WeakPolarHBondContact CB-O 3.44Å; R103-M294 PolarHBondContact N-O 3.02Å
104H91.8Very high91.2Very high73 Ų7356.8 Ų56.834%0.33828%0.28SS..G310 helixtrans-54.2-34173.858.864.6000113.3S82 S83 G106 F107 Y110S82-H104 PolarHBondContact O-CD2 3.03Å; S82-H104 VanDerWaalsContact O-CD2 3.26Å; S83-H104 PolarHBondContact O-CD2 3.33Å; S83-H104 VanDerWaalsContact O-CD2 3.3Å; S83-H104 PolarHBondContact O-N 3.34Å; H104-G106 PolarHBondContact O-N 3.01Å; H104-G106 VanDerWaalsContact O-N 3.08Å; H104-F107 PolarHBondContact O-N 3.01Å; H104-Y110 HydrophobicContact CB-CD1 3.62Å; H104-Y110 HydrophobicContact CB-CD2 4.46Å; H104-Y110 HydrophobicContact CB-CE1 4.19Å; H104-Y110 HydrophobicContact CB-CG 3.79Å
105D90.4Very high91.3Very high120 Ų12056.2 Ų56.264%0.64228%0.281SS*.G310 helixtrans-63.5-14.6-179.8-58.9-44.3000114.1R103 F107R103-D105 PolarHBondContact O-N 3.26Å; D105-F107 VanDerWaalsContact C-N 3.29Å
106G87.1Confident91.2Very high25 Ų2554.6 Ų54.626%0.25827%0.271SS..G310 helixtrans-80.6-3.8174.300000115.4L56 R103 H104 M294L56-G106 WeakPolarHBondContact CD1-O 3.45Å; R103-G106 PolarHBondContact O-N 3.42Å; R103-G106 VanDerWaalsContact O-N 3.09Å; H104-G106 PolarHBondContact O-N 3.01Å; H104-G106 VanDerWaalsContact O-N 3.08Å; G106-M294 VanDerWaalsContact CA-CB 3.46Å
107F90.7Very high91.1Very high21 Ų2157.7 Ų57.79%0.09230%0.296CS..SBendtrans-115.8142.9-175-59.8-91000110.6A54 R55 L56 I85 L102 R103 H104 D105 S109 Y110 M294A54-F107 HydrophobicContact CB-CD1 3.92Å; A54-F107 HydrophobicContact CB-CE1 4Å; A54-F107 HydrophobicContact CB-CG 4.49Å; R55-F107 CarbonylContact O-C 3.59Å; R55-F107 WeakPolarHBondContact O-CA 3.11Å; R55-F107 WeakPolarHBondContact O-CB 3.38Å; L56-F107 HydrophobicContact CB-CD1 4.05Å; L56-F107 HydrophobicContact CB-CE1 4.26Å; L56-F107 HydrophobicContact CD1-CD1 4.22Å; L56-F107 HydrophobicContact CD1-CE1 4.36Å; I85-F107 HydrophobicContact CD1-CE1 4.43Å; I85-F107 HydrophobicContact CD1-CZ 3.83Å; I85-F107 HydrophobicContact CG1-CZ 4.4Å; L102-F107 HydrophobicContact CB-CE2 4.2Å; L102-F107 HydrophobicContact CB-CZ 4.23Å; L102-F107 HydrophobicContact CD1-CZ 4.41Å; R103-F107 WeakPolarHBondContact O-CD2 3.34Å; R103-F107 WeakPolarHBondContact O-CE2 3.37Å; H104-F107 PolarHBondContact O-N 3.01Å; D105-F107 VanDerWaalsContact C-N 3.29Å; F107-S109 VanDerWaalsContact C-N 3.33Å; F107-Y110 HydrophobicContact CB-CD2 4.28Å; F107-Y110 AromaticContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CE2 4.24Å; F107-Y110 HydrophobicContact CE2-CD2 4.14Å; F107-Y110 HydrophobicContact CE2-CE2 4.23Å; F107-Y110 AromaticContact CG-CD2 3.97Å; F107-Y110 HydrophobicContact CG-CD2 3.97Å; F107-M294 HydrophobicContact CD2-CE 4.44Å; F107-M294 HydrophobicContact CE1-CE 4.3Å; F107-M294 HydrophobicContact CE2-CE 3.97Å; F107-M294 HydrophobicContact CZ-CE 3.89Å
108D90.6Very high91Very high107 Ų10756.7 Ų56.757%0.57229%0.291SS*.SBendtrans-72.3-29.4179.1169.563.7000112R55 V57R55-D108 WeakPolarHBondContact CD-OD2 3.46Å; R55-D108 HydrophobicContact CG-CB 4.35Å; R55-D108 IonicContact NE-OD2 2.68Å; R55-D108 PolarHBondContact NE-OD2 2.96Å; R55-D108 PolarHBondContact O-N 3.3Å; V57-D108 HydrophobicContact CG2-CB 3.59Å
109S89.5Confident90.9Very high52 Ų5256.8 Ų56.836%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-142.2130.4164.3-179.40000108.2A54 R55 F107A54-S109 WeakPolarHBondContact CA-O 3.39Å; R55-S109 PolarHBondContact N-O 3.18Å; F107-S109 VanDerWaalsContact C-N 3.33Å
110Y92.7Very high90.8Very high45 Ų4554.6 Ų54.618%0.17628%0.282CS..EExtended strand (participates in β ladder)trans-132.9123.7174.5-166.7-92.3000109.8F52 E53 A54 V80 S81 G84 I85 H104 F107 C112F52-Y110 AromaticContact CE2-CE2 3.89Å; F52-Y110 HydrophobicContact CE2-CE2 3.89Å; E53-Y110 CarbonylContact O-C 3.51Å; E53-Y110 WeakPolarHBondContact O-CA 3.24Å; A54-Y110 HydrophobicContact CB-CD2 3.79Å; A54-Y110 HydrophobicContact CB-CE2 3.93Å; V80-Y110 WeakPolarHBondContact CG1-OH 3.32Å; S81-Y110 WeakPolarHBondContact O-CE1 3.36Å; S81-Y110 PolarHBondContact O-OH 2.92Å; G84-Y110 VanDerWaalsContact C-OH 3.22Å; G84-Y110 WeakPolarHBondContact CA-OH 3.47Å; G84-Y110 PolarHBondContact O-OH 2.82Å; I85-Y110 HydrophobicContact CD1-CE2 4.43Å; I85-Y110 HydrophobicContact CG1-CE2 4Å; H104-Y110 HydrophobicContact CB-CD1 3.62Å; H104-Y110 HydrophobicContact CB-CD2 4.46Å; H104-Y110 HydrophobicContact CB-CE1 4.19Å; H104-Y110 HydrophobicContact CB-CG 3.79Å; F107-Y110 HydrophobicContact CB-CD2 4.28Å; F107-Y110 AromaticContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CD2 3.7Å; F107-Y110 HydrophobicContact CD2-CE2 4.24Å; F107-Y110 HydrophobicContact CE2-CD2 4.14Å; F107-Y110 HydrophobicContact CE2-CE2 4.23Å; F107-Y110 AromaticContact CG-CD2 3.97Å; F107-Y110 HydrophobicContact CG-CD2 3.97Å; Y110-C112 HydrophobicContact CE1-CB 3.8Å
111R90.9Very high90.7Very high102 Ų10256.2 Ų56.239%0.38529%0.291SS..EExtended strand (participates in β ladder)trans-136.1128.5173.4-177.3173.2170.5-159.8-12.4109.4M51 F52 E53 D113M51-R111 PolarHBondContact SD-NH1 3.37Å; F52-R111 WeakPolarHBondContact CA-O 3.41Å; F52-R111 WeakPolarHBondContact CD2-O 3.44Å; E53-R111 PolarHBondContact N-O 2.84Å; E53-R111 PolarHBondContact O-N 3.09Å; R111-D113 IonicContact CZ-OD1 2.7Å; R111-D113 IonicContact CZ-OD2 3.35Å; R111-D113 VanDerWaalsContact CZ-OD2 3.28Å; R111-D113 IonicContact NE-OD1 4Å; R111-D113 PolarHBondContact NE-OD1 3.04Å; R111-D113 IonicContact NE-OD2 3.15Å; R111-D113 PolarHBondContact NE-OD2 3.16Å; R111-D113 IonicContact NH2-OD1 2.75Å; R111-D113 PolarHBondContact NH2-OD1 3.03Å; R111-D113 IonicContact NH2-OD2 2.78Å; R111-D113 PolarHBondContact NH2-OD2 2.88Å
112C89.8Confident90.5Very high22 Ų2254.4 Ų54.415%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-139.399.8174.4166.10000105.8V80 S81 Y110 R114V80-C112 HydrophobicContact CG1-CB 4.13Å; S81-C112 VanDerWaalsContact CA-SG 3.59Å; Y110-C112 HydrophobicContact CE1-CB 3.8Å; C112-R114 VanDerWaalsContact C-N 3.32Å; C112-R114 VanDerWaalsContact SG-C 3.56Å; C112-R114 PolarHBondContact SG-O 3.4Å
113D86.4Confident90.3Very high64 Ų6456.5 Ų56.534%0.34230%0.295SS..SBendtrans-75.7-25-179.2-65.6-29.5000112.2N50 M51 R111N50-D113 VanDerWaalsContact CA-OD2 3.26Å; N50-D113 WeakPolarHBondContact CA-OD2 3.18Å; N50-D113 HydrophobicContact CB-CB 3.92Å; M51-D113 PolarHBondContact N-OD2 2.84Å; R111-D113 IonicContact CZ-OD1 2.7Å; R111-D113 IonicContact CZ-OD2 3.35Å; R111-D113 VanDerWaalsContact CZ-OD2 3.28Å; R111-D113 IonicContact NE-OD1 4Å; R111-D113 PolarHBondContact NE-OD1 3.04Å; R111-D113 IonicContact NE-OD2 3.15Å; R111-D113 PolarHBondContact NE-OD2 3.16Å; R111-D113 IonicContact NH2-OD1 2.75Å; R111-D113 PolarHBondContact NH2-OD1 3.03Å; R111-D113 IonicContact NH2-OD2 2.78Å; R111-D113 PolarHBondContact NH2-OD2 2.88Å
114R86.8Confident90.2Very high148 Ų14853.9 Ų53.956%0.55829%0.292SS*.SBendtrans-147.8152.9174.3-66.6-169.7177.9153.33.5109.9N50 C112 L116 D144N50-R114 VanDerWaalsContact ND2-CZ 3.33Å; C112-R114 VanDerWaalsContact C-N 3.32Å; C112-R114 VanDerWaalsContact SG-C 3.56Å; C112-R114 PolarHBondContact SG-O 3.4Å; R114-L116 PolarHBondContact O-N 2.91Å; R114-D144 WeakPolarHBondContact CD-OD2 3.44Å; R114-D144 IonicContact CZ-OD2 3.24Å; R114-D144 VanDerWaalsContact CZ-OD2 3.24Å; R114-D144 IonicContact NE-OD2 3.55Å; R114-D144 IonicContact NH1-OD2 2.67Å; R114-D144 PolarHBondContact NH1-OD2 3.14Å
115N88.6Confident90.2Very high124 Ų12450.4 Ų50.466%0.66328%0.276SS*.  trans-61132.4169.5-67.28.4000109.5V80V80-N115 CarbonylContact O-C 3.57Å; V80-N115 WeakPolarHBondContact O-CA 3.42Å
116L88.9Confident90.3Very high25 Ų2545 Ų4513%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-132.9126.6-175.7175.667.5000109.2F52 V80 R114 M118 A142F52-L116 HydrophobicContact CB-CD2 4.17Å; V80-L116 HydrophobicContact CB-CB 4.23Å; V80-L116 WeakPolarHBondContact CB-O 3.47Å; V80-L116 PolarHBondContact N-O 2.75Å; V80-L116 PolarHBondContact O-N 2.88Å; R114-L116 PolarHBondContact O-N 2.91Å; L116-M118 HydrophobicContact CD2-CG 3.74Å; L116-M118 HydrophobicContact CD2-SD 3.91Å; L116-M118 HydrophobicContact CG-CG 3.79Å; L116-A142 HydrophobicContact CD2-CB 3.77Å
117A89.4Confident90.5Very high67 Ų6750.5 Ų50.555%0.55426%0.264SS*.EExtended strand (participates in β ladder)trans-96.4113.1173.900000108.6
118M90.3Very high90.6Very high1 Ų151 Ų511%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-109103.8179.6-57.4-175.5-55.300110.4F52 C77 W78 V80 L116 V120 A142 L149 L168F52-M118 HydrophobicContact CD1-CE 4.27Å; F52-M118 HydrophobicContact CD1-SD 4.06Å; F52-M118 HydrophobicContact CE1-CE 3.86Å; F52-M118 HydrophobicContact CE1-SD 4.23Å; C77-M118 CarbonylContact C-O 3.59Å; C77-M118 WeakPolarHBondContact CA-O 3.35Å; C77-M118 PolarHBondContact SG-N 2.99Å; W78-M118 HydrophobicContact CB-CB 4.3Å; W78-M118 HydrophobicContact CB-CE 3.98Å; W78-M118 PolarHBondContact N-O 2.87Å; W78-M118 PolarHBondContact O-N 2.95Å; V80-M118 HydrophobicContact CG2-CE 3.62Å; V80-M118 HydrophobicContact CG2-SD 4.37Å; L116-M118 HydrophobicContact CD2-CG 3.74Å; L116-M118 HydrophobicContact CD2-SD 3.91Å; L116-M118 HydrophobicContact CG-CG 3.79Å; M118-V120 HydrophobicContact CB-CG2 4.35Å; M118-V120 PolarHBondContact O-N 2.83Å; M118-A142 HydrophobicContact SD-CB 3.95Å; M118-L149 HydrophobicContact SD-CD1 4.07Å; M118-L168 HydrophobicContact CB-CD1 3.88Å; M118-L168 HydrophobicContact CB-CD2 4.04Å; M118-L168 HydrophobicContact CG-CD1 3.88Å; M118-L168 HydrophobicContact SD-CD1 4.34Å
119G92.4Very high90.7Very high4 Ų446 Ų464%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-72.7121.9171.300000111.4L168 M169G119-L168 WeakPolarHBondContact O-CA 3.28Å; G119-L168 WeakPolarHBondContact O-CD2 3.29Å; G119-M169 VanDerWaalsContact C-CG 3.47Å; G119-M169 VanDerWaalsContact CA-O 3.24Å; G119-M169 WeakPolarHBondContact CA-O 3.4Å; G119-M169 WeakPolarHBondContact O-CG 3.4Å; G119-M169 PolarHBondContact O-N 2.81Å
120V92Very high90.7Very high1 Ų148.9 Ų48.91%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-130124.4-171.3177.40000111.2E75 A76 W78 M118 L122 M125 M166 L168E75-V120 WeakPolarHBondContact CA-O 3.31Å; A76-V120 PolarHBondContact N-O 2.95Å; A76-V120 VanDerWaalsContact N-O 3.11Å; A76-V120 PolarHBondContact O-N 3.15Å; W78-V120 HydrophobicContact CG-CG2 4.43Å; M118-V120 HydrophobicContact CB-CG2 4.35Å; M118-V120 PolarHBondContact O-N 2.83Å; V120-L122 HydrophobicContact CB-CD2 4.45Å; V120-L122 HydrophobicContact CG1-CD2 4.17Å; V120-L122 PolarHBondContact O-N 2.78Å; V120-M125 HydrophobicContact CG1-CB 3.85Å; V120-M125 HydrophobicContact CG1-CG 4.22Å; V120-M125 HydrophobicContact CG1-SD 3.79Å; V120-M166 HydrophobicContact CG1-CE 3.84Å; V120-L168 HydrophobicContact CG2-CD2 3.61Å
121N92.3Very high90.5Very high34 Ų3449.6 Ų49.618%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-72.1105.1165.6179.6-81.3000109.9E75 S123 S124 M125 M169E75-N121 HydrophobicContact CG-CB 4.27Å; E75-N121 PolarHBondContact OE1-ND2 3.14Å; N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 PolarHBondContact O-N 2.79Å; N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.19Å; N121-S124 VanDerWaalsContact OD1-CB 3.3Å; N121-S124 WeakPolarHBondContact OD1-CB 3.31Å; N121-S124 PolarHBondContact OD1-N 3.49Å; N121-S124 PolarHBondContact OD1-OG 3.26Å; N121-M125 PolarHBondContact O-N 2.86Å; N121-M169 HydrophobicContact CB-CE 4.07Å; N121-M169 HydrophobicContact CB-SD 4.25Å
122L92.1Very high90.5Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-66.9-31.8-170.9-55.5-177.5000112.3L66 L69 I73 T74 A76 W78 V120 S124 M125 S126L66-L122 HydrophobicContact CD2-CD2 4.15Å; L69-L122 HydrophobicContact CB-CD1 4.09Å; I73-L122 HydrophobicContact CD1-CD1 3.64Å; I73-L122 HydrophobicContact CG1-CD1 3.72Å; T74-L122 PolarHBondContact O-N 3.34Å; A76-L122 HydrophobicContact CB-CD1 4.29Å; W78-L122 HydrophobicContact CZ2-CD2 4.49Å; V120-L122 HydrophobicContact CB-CD2 4.45Å; V120-L122 HydrophobicContact CG1-CD2 4.17Å; V120-L122 PolarHBondContact O-N 2.78Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 3.28Å; L122-M125 PolarHBondContact O-N 3.4Å; L122-S126 VanDerWaalsContact O-CB 3.24Å; L122-S126 WeakPolarHBondContact O-CB 3.44Å; L122-S126 PolarHBondContact O-N 2.9Å
123S90.4Very high90.4Very high50 Ų5045.3 Ų45.335%0.3525%0.248SC..Hα-helixtrans-62-30.1172.1-88.90000113.4N121 K127N121-S123 VanDerWaalsContact C-N 3.29Å; N121-S123 PolarHBondContact O-N 2.79Å; S123-K127 WeakPolarHBondContact O-CD 3.42Å; S123-K127 WeakPolarHBondContact O-CE 3.49Å; S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.35Å
124S91.8Very high90.3Very high46 Ų4647 Ų4732%0.32226%0.257SS..Hα-helixtrans-84.3-43.2176.6-60.50000111.3N121 L122 S126 K127 I128N121-S124 WeakPolarHBondContact O-CB 3.35Å; N121-S124 PolarHBondContact O-N 3.19Å; N121-S124 VanDerWaalsContact OD1-CB 3.3Å; N121-S124 WeakPolarHBondContact OD1-CB 3.31Å; N121-S124 PolarHBondContact OD1-N 3.49Å; N121-S124 PolarHBondContact OD1-OG 3.26Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 3.28Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.4Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.32Å; S124-K127 VanDerWaalsContact O-N 3.14Å; S124-I128 PolarHBondContact O-N 3.31Å
125M92Very high90.4Very high0 Ų046.2 Ų46.20%026%0.26CS..Hα-helixtrans-61-40.8175-161-169.1-175.900111.7L62 L66 W78 V120 N121 L122 K127 I128 L129 L140 L149 L151 M166L62-M125 HydrophobicContact CD2-CE 4.27Å; L66-M125 HydrophobicContact CD1-CB 3.76Å; L66-M125 HydrophobicContact CD1-CG 3.6Å; L66-M125 HydrophobicContact CD1-SD 3.69Å; L66-M125 HydrophobicContact CD2-SD 3.89Å; L66-M125 HydrophobicContact CG-SD 4.33Å; W78-M125 HydrophobicContact CH2-CE 4.48Å; W78-M125 HydrophobicContact CZ2-SD 4.23Å; V120-M125 HydrophobicContact CG1-CB 3.85Å; V120-M125 HydrophobicContact CG1-CG 4.22Å; V120-M125 HydrophobicContact CG1-SD 3.79Å; N121-M125 PolarHBondContact O-N 2.86Å; L122-M125 PolarHBondContact O-N 3.4Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 2.99Å; M125-I128 PolarHBondContact O-N 3.16Å; M125-I128 VanDerWaalsContact O-N 3.15Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 2.91Å; M125-L140 HydrophobicContact CE-CD2 4.25Å; M125-L149 HydrophobicContact CE-CD2 4.31Å; M125-L151 HydrophobicContact CE-CD2 4.05Å; M125-L151 HydrophobicContact CG-CD2 4.39Å; M125-M166 HydrophobicContact CB-CE 4.17Å; M125-M166 HydrophobicContact CB-SD 3.98Å; M125-M166 HydrophobicContact CG-SD 3.95Å
126S91.9Very high90.5Very high7 Ų740.9 Ų40.95%0.04923%0.231CC..Hα-helixtrans-58.5-37.9174167.30000112.9E67 L122 S124 K130E67-S126 PolarHBondContact OE1-OG 3.01Å; L122-S126 VanDerWaalsContact O-CB 3.24Å; L122-S126 WeakPolarHBondContact O-CB 3.44Å; L122-S126 PolarHBondContact O-N 2.9Å; S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.4Å; S126-K130 WeakPolarHBondContact O-CD 3.33Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 PolarHBondContact OG-NZ 3.1Å
127K91.8Very high90.6Very high141 Ų14140.5 Ų40.561%0.61323%0.229SC*.Hα-helixtrans-66.6-39.9176.1-68.7163.1-169.1165.10111.5S123 S124 M125 K130S123-K127 WeakPolarHBondContact O-CD 3.42Å; S123-K127 WeakPolarHBondContact O-CE 3.49Å; S123-K127 VanDerWaalsContact O-CG 3.31Å; S123-K127 WeakPolarHBondContact O-CG 3.35Å; S124-K127 WeakPolarHBondContact O-CB 3.41Å; S124-K127 PolarHBondContact O-N 3.32Å; S124-K127 VanDerWaalsContact O-N 3.14Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 2.99Å; K127-K130 PolarHBondContact O-N 3.3Å
128I92.9Very high90.8Very high30 Ų3037.3 Ų37.315%0.15420%0.203CC..Hα-helixtrans-70.9-45.1178.9-62.1169.5000110.5S124 M125 K130 C131 L151 F153 Y164 M166S124-I128 PolarHBondContact O-N 3.31Å; M125-I128 PolarHBondContact O-N 3.16Å; M125-I128 VanDerWaalsContact O-N 3.15Å; I128-K130 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact O-N 3.12Å; I128-C131 WeakPolarHBondContact O-CB 3.33Å; I128-C131 PolarHBondContact O-N 3.07Å; I128-L151 HydrophobicContact CG2-CD2 4.48Å; I128-F153 HydrophobicContact CG2-CE2 4.28Å; I128-F153 HydrophobicContact CG2-CZ 4.01Å; I128-F153 WeakPolarHBondContact O-CE2 3.41Å; I128-Y164 HydrophobicContact CG2-CD1 4.17Å; I128-Y164 HydrophobicContact CG2-CD2 4.33Å; I128-Y164 HydrophobicContact CG2-CG 3.79Å; I128-M166 HydrophobicContact CD1-CB 3.68Å; I128-M166 HydrophobicContact CD1-CG 4.28Å; I128-M166 HydrophobicContact CD1-SD 4.03Å
129L90.9Very high91Very high2 Ų237.3 Ų37.31%0.0120%0.203CC..Hα-helixtrans-64.6-16.5177-62.7-158.6000113.8L62 K63 L66 M125 C131 A132 I138 L151 F153L62-L129 HydrophobicContact CB-CD1 4.13Å; L62-L129 HydrophobicContact CD2-CD1 3.71Å; L62-L129 HydrophobicContact CD2-CD2 4.28Å; L62-L129 HydrophobicContact CG-CD1 3.65Å; K63-L129 VanDerWaalsContact CE-O 3.24Å; K63-L129 WeakPolarHBondContact CE-O 3.39Å; K63-L129 HydrophobicContact CG-CB 3.97Å; K63-L129 HydrophobicContact CG-CD1 4.3Å; L66-L129 HydrophobicContact CD1-CD1 3.41Å; L66-L129 VanDerWaalsContact CD1-CD1 3.41Å; L66-L129 HydrophobicContact CD1-CG 3.82Å; L66-L129 HydrophobicContact CG-CD1 4.01Å; M125-L129 WeakPolarHBondContact O-CG 3.47Å; M125-L129 PolarHBondContact O-N 2.91Å; L129-C131 VanDerWaalsContact C-N 3.26Å; L129-C131 PolarHBondContact O-N 2.89Å; L129-A132 PolarHBondContact O-N 3.15Å; L129-I138 HydrophobicContact CD2-CD1 4.3Å; L129-L151 HydrophobicContact CD2-CD2 3.54Å; L129-F153 HydrophobicContact CD2-CE1 3.84Å; L129-F153 HydrophobicContact CD2-CZ 3.74Å
130K90.6Very high91Very high114 Ų11437.3 Ų37.350%0.49620%0.202SC..THydrogen-bonded Turntrans-73.8-13.9171.2-78.5161.8-177153.60113.6E67 S126 K127 I128E67-K130 VanDerWaalsContact OE1-CE 3.24Å; E67-K130 WeakPolarHBondContact OE1-CE 3.42Å; E67-K130 IonicContact OE1-NZ 2.71Å; E67-K130 PolarHBondContact OE1-NZ 2.87Å; E67-K130 IonicContact OE2-NZ 3.22Å; S126-K130 WeakPolarHBondContact O-CD 3.33Å; S126-K130 VanDerWaalsContact O-CG 3.3Å; S126-K130 WeakPolarHBondContact O-CG 3.26Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 PolarHBondContact OG-NZ 3.1Å; K127-K130 PolarHBondContact O-N 3.3Å; I128-K130 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact O-N 3.12Å
131C89.3Confident91Very high60 Ų6042.1 Ų42.141%0.40522%0.22SC..THydrogen-bonded Turntrans-81.9-16.8171-61.30000113.5I128 L129 F153 Y164I128-C131 WeakPolarHBondContact O-CB 3.33Å; I128-C131 PolarHBondContact O-N 3.07Å; L129-C131 VanDerWaalsContact C-N 3.26Å; L129-C131 PolarHBondContact O-N 2.89Å; C131-F153 HydrophobicContact CB-CE2 4.32Å; C131-Y164 HydrophobicContact CB-CE1 4.33Å; C131-Y164 HydrophobicContact CB-CE2 4.04Å; C131-Y164 WeakPolarHBondContact CB-OH 3.23Å
132A89.9Confident90.9Very high5 Ų540.8 Ų40.84%0.04121%0.214CC..SBendtrans-77.3146.2170.700000111.2K63 L129 D136 I138 F153K63-A132 HydrophobicContact CD-CB 4.48Å; K63-A132 PolarHBondContact NZ-O 3.36Å; L129-A132 PolarHBondContact O-N 3.15Å; A132-D136 HydrophobicContact CB-CB 4.5Å; A132-I138 HydrophobicContact CB-CD1 4.3Å; A132-F153 HydrophobicContact CB-CB 4.44Å; A132-F153 HydrophobicContact CB-CD1 4.06Å; A132-F153 HydrophobicContact CB-CD2 3.68Å; A132-F153 HydrophobicContact CB-CE1 4.21Å; A132-F153 HydrophobicContact CB-CE2 3.86Å; A132-F153 HydrophobicContact CB-CG 3.8Å; A132-F153 HydrophobicContact CB-CZ 4.11Å
133G87Confident90.7Very high28 Ų2846 Ų4629%0.28924%0.238SC..  trans-61.9-176.1163.800000112.7K63 D136K63-G133 PolarHBondContact NZ-O 3.45Å; G133-D136 PolarHBondContact N-OD2 3.25Å
134N86Confident90Very high99 Ų9945.5 Ų45.553%0.52923%0.232SC..SBendtrans-89.9-30.5172.7-67.6-14.1000111.8S60 K63S60-N134 VanDerWaalsContact CB-O 3.29Å; S60-N134 WeakPolarHBondContact CB-O 3.23Å; S60-N134 PolarHBondContact N-O 3.21Å; S60-N134 PolarHBondContact OG-O 3.44Å; K63-N134 PolarHBondContact NZ-OD1 3.14Å
135E87.5Confident89Confident132 Ų13250.7 Ų50.762%0.61726%0.256SS*.SBendtrans-100.69.1176.8-39.6-48.1121.700112.5L156E135-L156 HydrophobicContact CB-CD1 4.09Å; E135-L156 WeakPolarHBondContact O-CG 3.26Å
136D90.3Very high87.9Confident12 Ų1251.7 Ų51.76%0.06426%0.264CS..  trans-76.7136.1172.9-77.6-10.5000109.6G59 A132 G133 T155 K160G59-D136 WeakPolarHBondContact CA-O 3.45Å; G59-D136 PolarHBondContact N-O 2.94Å; A132-D136 HydrophobicContact CB-CB 4.5Å; G133-D136 PolarHBondContact N-OD2 3.25Å; D136-T155 VanDerWaalsContact OD1-CA 3.24Å; D136-T155 WeakPolarHBondContact OD1-CA 3.3Å; D136-T155 VanDerWaalsContact OD1-CB 3.32Å; D136-T155 WeakPolarHBondContact OD1-CB 3.24Å; D136-T155 PolarHBondContact OD1-OG1 3.18Å; D136-K160 IonicContact OD2-NZ 2.94Å
137I92.6Very high87.6Confident17 Ų1758 Ų589%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-72.3133.8170.7-56.8175.8000107.9R55 V57 F153 E154 L156R55-I137 HydrophobicContact CG-CG2 4.05Å; V57-I137 HydrophobicContact CG1-CG1 4.37Å; I137-F153 WeakPolarHBondContact O-CA 3.07Å; I137-E154 HydrophobicContact CB-CB 4.35Å; I137-E154 PolarHBondContact N-O 2.81Å; I137-E154 PolarHBondContact O-N 2.91Å; I137-L156 HydrophobicContact CD1-CD2 4.22Å; I137-L156 HydrophobicContact CG1-CD2 4.28Å
138I93.6Very high87.4Confident1 Ų153.2 Ų53.21%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-111.6123.3177-61178.6000109.1L56 G59 L62 L129 A132 L140 F153L56-I138 PolarHBondContact N-O 3.42Å; L56-I138 PolarHBondContact O-N 3.24Å; G59-I138 VanDerWaalsContact CA-CD1 3.48Å; G59-I138 WeakPolarHBondContact O-CD1 3.41Å; L62-I138 HydrophobicContact CD2-CD1 4.47Å; L62-I138 HydrophobicContact CD2-CG2 4.04Å; L129-I138 HydrophobicContact CD2-CD1 4.3Å; A132-I138 HydrophobicContact CB-CD1 4.3Å; I138-L140 HydrophobicContact CG2-CD2 4.15Å; I138-F153 HydrophobicContact CB-CD1 4.29Å; I138-F153 HydrophobicContact CD1-CD1 4.4Å; I138-F153 HydrophobicContact CD1-CE1 4.2Å; I138-F153 HydrophobicContact CG1-CD1 3.76Å; I138-F153 HydrophobicContact CG1-CE1 4.02Å; I138-F153 HydrophobicContact CG2-CD1 4.07Å; I138-F153 HydrophobicContact CG2-CE1 3.9Å
139T93.4Very high87.4Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-111.1121.3170.4-47.50000109.4E53 A54 R55 R141 V152E53-T139 HydrophobicContact CG-CG2 3.88Å; A54-T139 CarbonylContact O-C 3.55Å; A54-T139 WeakPolarHBondContact O-CA 2.94Å; R55-T139 HydrophobicContact CB-CG2 4.28Å; R55-T139 PolarHBondContact NH1-OG1 2.9Å; T139-R141 HydrophobicContact CG2-CG 4.21Å; T139-V152 PolarHBondContact N-O 2.98Å; T139-V152 PolarHBondContact O-N 3.1Å
140L93.3Very high87.4Confident4 Ų453.3 Ų53.32%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-91.9135.5171-57.8179.7000108.9F52 E53 A54 L62 M125 I138 L149 L151F52-L140 HydrophobicContact CE1-CB 3.95Å; F52-L140 HydrophobicContact CZ-CB 4.33Å; E53-L140 WeakPolarHBondContact CA-O 3.47Å; A54-L140 PolarHBondContact N-O 2.83Å; A54-L140 PolarHBondContact O-N 2.04Å; L62-L140 HydrophobicContact CD2-CD1 4.24Å; L62-L140 HydrophobicContact CD2-CD2 4.21Å; M125-L140 HydrophobicContact CE-CD2 4.25Å; I138-L140 HydrophobicContact CG2-CD2 4.15Å; L140-L149 HydrophobicContact CB-CD1 4.37Å; L140-L151 HydrophobicContact CD2-CB 4.49Å; L140-L151 HydrophobicContact CD2-CD2 3.73Å; L140-L151 HydrophobicContact CD2-CG 3.82Å
141R91.6Very high87.6Confident102 Ų10247.9 Ų47.939%0.38526%0.262SS..EExtended strand (participates in β ladder)trans-139133.1177.8-69.7-179.9178.2142.42.5112F52 E53 T139 A150F52-R141 WeakPolarHBondContact O-CA 3.37Å; E53-R141 HydrophobicContact CB-CG 4.36Å; E53-R141 HydrophobicContact CG-CG 4.12Å; E53-R141 IonicContact OE1-CZ 2.62Å; E53-R141 IonicContact OE1-NE 3.78Å; E53-R141 PolarHBondContact OE1-NE 3Å; E53-R141 IonicContact OE1-NH2 3.19Å; E53-R141 PolarHBondContact OE1-NH2 3.27Å; T139-R141 HydrophobicContact CG2-CG 4.21Å; R141-A150 HydrophobicContact CB-CB 4.28Å; R141-A150 PolarHBondContact N-O 2.6Å; R141-A150 PolarHBondContact O-N 2.82Å
142A90.7Very high87.7Confident7 Ų745.3 Ų45.36%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-144.4153.3173.500000111F52 L116 M118 A146 L149F52-A142 HydrophobicContact CB-CB 4.31Å; F52-A142 HydrophobicContact CD1-CB 4.08Å; F52-A142 PolarHBondContact N-O 3.09Å; F52-A142 PolarHBondContact O-N 2.8Å; L116-A142 HydrophobicContact CD2-CB 3.77Å; M118-A142 HydrophobicContact SD-CB 3.95Å; A142-A146 HydrophobicContact CB-CB 3.87Å; A142-L149 HydrophobicContact CB-CD1 4.39Å
143E87.5Confident87.9Confident108 Ų10845.1 Ų45.151%0.50524%0.243SC..EExtended strand (participates in β ladder)trans-91.6163.7172.2-58.9-168.7178.900110.9N145 A146E143-N145 PolarHBondContact O-N 3.01Å; E143-N145 VanDerWaalsContact O-N 3.08Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 2.92Å
144D74.8Confident88.1Confident41 Ų4145.7 Ų45.722%0.21924%0.238CC..THydrogen-bonded Turntrans-47.8-37.1179.7-104.614.2000114.3N50 R114N50-D144 HydrophobicContact CB-CB 4.39Å; N50-D144 WeakPolarHBondContact CB-OD1 3.47Å; N50-D144 WeakPolarHBondContact CB-OD2 3.35Å; N50-D144 PolarHBondContact ND2-OD2 3.28Å; N50-D144 PolarHBondContact O-N 3.16Å; R114-D144 WeakPolarHBondContact CD-OD2 3.44Å; R114-D144 IonicContact CZ-OD2 3.24Å; R114-D144 VanDerWaalsContact CZ-OD2 3.24Å; R114-D144 IonicContact NE-OD2 3.55Å; R114-D144 IonicContact NH1-OD2 2.67Å; R114-D144 PolarHBondContact NH1-OD2 3.14Å
145N71Confident88.3Confident154 Ų15442.9 Ų42.982%0.82422%0.224SC*.THydrogen-bonded Turntrans-120.663.1177.4-71.116000109.3E143 D147E143-N145 PolarHBondContact O-N 3.01Å; E143-N145 VanDerWaalsContact O-N 3.08Å; N145-D147 PolarHBondContact O-N 2.99Å
146A68.6Low88Confident21 Ų2141.4 Ų41.417%0.17422%0.22CC..  trans-74.7107.4-173.800000113.8A142 E143 T148 L168A142-A146 HydrophobicContact CB-CB 3.87Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 2.92Å; A146-T148 PolarHBondContact O-N 2.76Å; A146-L168 HydrophobicContact CB-CD1 3.86Å; A146-L168 WeakPolarHBondContact O-CD1 3.45Å
147D85.3Confident87.6Confident139 Ų13946.4 Ų46.474%0.74325%0.247SC*.SBendtrans-66.1-23.2157.8-73.5-23.7000111.6N145 K167 L168N145-D147 PolarHBondContact O-N 2.99Å; D147-K167 WeakPolarHBondContact O-CA 3.29Å; D147-L168 PolarHBondContact O-N 2.88Å
148T89Confident86.9Confident41 Ų4152.8 Ų52.825%0.25228%0.276SS..EExtended strand (participates in β ladder)trans-139.1143-174.2590000113.6A146 E165 M166 K167A146-T148 PolarHBondContact O-N 2.76Å; T148-E165 VanDerWaalsContact CB-OE1 3.23Å; T148-E165 WeakPolarHBondContact CB-OE1 3.34Å; T148-E165 HydrophobicContact CG2-CG 4.03Å; T148-E165 WeakPolarHBondContact CG2-OE1 3.48Å; T148-E165 PolarHBondContact OG1-OE1 2.74Å; T148-M166 CarbonylContact C-O 3.6Å; T148-M166 WeakPolarHBondContact CA-O 3.34Å; T148-M166 WeakPolarHBondContact CB-O 3.47Å; T148-K167 HydrophobicContact CG2-CG 4.2Å
149L91.8Very high86.4Confident1 Ų160.5 Ų60.51%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-101.1124.2169171.965.2000108.7M118 M125 L140 A142 L151 M166 L168M118-L149 HydrophobicContact SD-CD1 4.07Å; M125-L149 HydrophobicContact CE-CD2 4.31Å; L140-L149 HydrophobicContact CB-CD1 4.37Å; A142-L149 HydrophobicContact CB-CD1 4.39Å; L149-L151 HydrophobicContact CD2-CD1 4.23Å; L149-L151 HydrophobicContact CG-CD1 3.99Å; L149-L151 HydrophobicContact CG-CG 4.38Å; L149-M166 HydrophobicContact CB-CG 4.12Å; L149-M166 HydrophobicContact CD2-SD 4.43Å; L149-M166 PolarHBondContact N-O 3.05Å; L149-M166 PolarHBondContact O-N 3.33Å; L149-L168 HydrophobicContact CB-CD1 4.38Å; L149-L168 HydrophobicContact CB-CD2 3.83Å; L149-L168 HydrophobicContact CB-CG 4.12Å
150A92.7Very high86.1Confident33 Ų3364.7 Ų64.727%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-92133.8171.400000110.6R141 Y164R141-A150 HydrophobicContact CB-CB 4.28Å; R141-A150 PolarHBondContact N-O 2.6Å; R141-A150 PolarHBondContact O-N 2.82Å; A150-Y164 CarbonylContact C-O 3.58Å; A150-Y164 WeakPolarHBondContact CA-O 3.3Å
151L93Very high85.9Confident0 Ų068 Ų680%035%0.35CS..EExtended strand (participates in β ladder)trans-120.8109.8176.4-5994.2000108.3M125 I128 L129 L140 L149 F153 Y164 M166M125-L151 HydrophobicContact CE-CD2 4.05Å; M125-L151 HydrophobicContact CG-CD2 4.39Å; I128-L151 HydrophobicContact CG2-CD2 4.48Å; L129-L151 HydrophobicContact CD2-CD2 3.54Å; L140-L151 HydrophobicContact CD2-CB 4.49Å; L140-L151 HydrophobicContact CD2-CD2 3.73Å; L140-L151 HydrophobicContact CD2-CG 3.82Å; L149-L151 HydrophobicContact CD2-CD1 4.23Å; L149-L151 HydrophobicContact CG-CD1 3.99Å; L149-L151 HydrophobicContact CG-CG 4.38Å; L151-F153 HydrophobicContact CB-CE1 3.93Å; L151-F153 HydrophobicContact CB-CZ 4.18Å; L151-Y164 PolarHBondContact N-O 3.09Å; L151-Y164 PolarHBondContact O-N 3.04Å; L151-M166 HydrophobicContact CD1-CG 3.88Å; L151-M166 HydrophobicContact CD1-SD 4.06Å
152V93.1Very high86Confident6 Ų664.3 Ų64.34%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-102.2121.8178.9-173.80000108.8T139 E154 V161 D163T139-V152 PolarHBondContact N-O 2.98Å; T139-V152 PolarHBondContact O-N 3.1Å; V152-E154 HydrophobicContact CG1-CG 4.25Å; V152-V161 HydrophobicContact CG1-CG1 3.76Å; V152-D163 WeakPolarHBondContact CG2-OD1 3.5Å
153F93.6Very high86Confident2 Ų269.6 Ų69.61%0.00937%0.368CS..EExtended strand (participates in β ladder)trans-104.4124.2174.9-51-32000110I128 L129 C131 A132 I137 I138 L151 V161 S162 Y164I128-F153 HydrophobicContact CG2-CE2 4.28Å; I128-F153 HydrophobicContact CG2-CZ 4.01Å; I128-F153 WeakPolarHBondContact O-CE2 3.41Å; L129-F153 HydrophobicContact CD2-CE1 3.84Å; L129-F153 HydrophobicContact CD2-CZ 3.74Å; C131-F153 HydrophobicContact CB-CE2 4.32Å; A132-F153 HydrophobicContact CB-CB 4.44Å; A132-F153 HydrophobicContact CB-CD1 4.06Å; A132-F153 HydrophobicContact CB-CD2 3.68Å; A132-F153 HydrophobicContact CB-CE1 4.21Å; A132-F153 HydrophobicContact CB-CE2 3.86Å; A132-F153 HydrophobicContact CB-CG 3.8Å; A132-F153 HydrophobicContact CB-CZ 4.11Å; I137-F153 WeakPolarHBondContact O-CA 3.07Å; I138-F153 HydrophobicContact CB-CD1 4.29Å; I138-F153 HydrophobicContact CD1-CD1 4.4Å; I138-F153 HydrophobicContact CD1-CE1 4.2Å; I138-F153 HydrophobicContact CG1-CD1 3.76Å; I138-F153 HydrophobicContact CG1-CE1 4.02Å; I138-F153 HydrophobicContact CG2-CD1 4.07Å; I138-F153 HydrophobicContact CG2-CE1 3.9Å; L151-F153 HydrophobicContact CB-CE1 3.93Å; L151-F153 HydrophobicContact CB-CZ 4.18Å; F153-V161 CarbonylContact O-C 3.54Å; F153-V161 WeakPolarHBondContact O-CA 3.25Å; F153-S162 PolarHBondContact N-O 3.35Å; F153-S162 PolarHBondContact O-N 3.41Å; F153-Y164 AromaticContact CD2-CD2 3.64Å; F153-Y164 HydrophobicContact CD2-CD2 3.64Å; F153-Y164 AromaticContact CD2-CE2 3.54Å; F153-Y164 HydrophobicContact CD2-CE2 3.54Å; F153-Y164 AromaticContact CE2-CD2 3.43Å; F153-Y164 HydrophobicContact CE2-CD2 3.43Å; F153-Y164 VanDerWaalsContact CE2-CD2 3.43Å; F153-Y164 AromaticContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CG 4.38Å; F153-Y164 HydrophobicContact CZ-CD2 4.23Å
154E91.6Very high86.3Confident39 Ų3968.4 Ų68.418%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-119.5123177.8-56.2-177.5142.900109.9R55 I137 V152 V161R55-E154 IonicContact CZ-OE2 3.52Å; R55-E154 VanDerWaalsContact CZ-OE2 3.24Å; R55-E154 IonicContact NH1-OE2 3.57Å; R55-E154 PolarHBondContact NH1-OE2 3.06Å; R55-E154 IonicContact NH2-OE2 2.69Å; R55-E154 PolarHBondContact NH2-OE2 3.08Å; I137-E154 HydrophobicContact CB-CB 4.35Å; I137-E154 PolarHBondContact N-O 2.81Å; I137-E154 PolarHBondContact O-N 2.91Å; V152-E154 HydrophobicContact CG1-CG 4.25Å; E154-V161 HydrophobicContact CG-CG1 4.43Å; E154-V161 HydrophobicContact CG-CG2 4.35Å
155T88.8Confident87.1Confident40 Ų4072.9 Ų72.925%0.24538%0.379CS..  trans-73.4145170.5-58.60000110D136 N157 Q158 K160D136-T155 VanDerWaalsContact OD1-CA 3.24Å; D136-T155 WeakPolarHBondContact OD1-CA 3.3Å; D136-T155 VanDerWaalsContact OD1-CB 3.32Å; D136-T155 WeakPolarHBondContact OD1-CB 3.24Å; D136-T155 PolarHBondContact OD1-OG1 3.18Å; T155-N157 PolarHBondContact O-N 2.81Å; T155-Q158 WeakPolarHBondContact O-CA 3.28Å; T155-Q158 PolarHBondContact O-N 2.95Å; T155-K160 PolarHBondContact N-O 2.85Å
156L82.3Confident88.1Confident102 Ų10266.4 Ų66.453%0.53434%0.344SS..THydrogen-bonded Turntrans-49.3-35.8-176.3-70.3166.3000114.9E135 I137 Q158E135-L156 HydrophobicContact CB-CD1 4.09Å; E135-L156 WeakPolarHBondContact O-CG 3.26Å; I137-L156 HydrophobicContact CD1-CD2 4.22Å; I137-L156 HydrophobicContact CG1-CD2 4.28Å; L156-Q158 PolarHBondContact O-N 2.86Å
157N82.2Confident89.2Confident116 Ų11673.7 Ų73.762%0.6237%0.371SS*.THydrogen-bonded Turntrans-75.5-5.9177.8-66.912.6000114.1T155 E159T155-N157 PolarHBondContact O-N 2.81Å; N157-E159 HydrophobicContact CB-CB 4.47Å; N157-E159 HydrophobicContact CB-CG 3.88Å; N157-E159 VanDerWaalsContact CB-OE1 3.27Å; N157-E159 WeakPolarHBondContact CB-OE1 3.36Å; N157-E159 PolarHBondContact ND2-OE1 3.09Å; N157-E159 PolarHBondContact O-N 2.87Å
158Q76.8Confident89.5Confident152 Ų15268.4 Ų68.471%0.7134%0.343SS*.SBendtrans59.75.8-172.2-56.6-178.9-3.200115.5T155 L156 K160T155-Q158 WeakPolarHBondContact O-CA 3.28Å; T155-Q158 PolarHBondContact O-N 2.95Å; L156-Q158 PolarHBondContact O-N 2.86Å; Q158-K160 PolarHBondContact O-N 2.86Å
159E83.9Confident89.5Confident162 Ų16269.3 Ų69.376%0.75735%0.345SS*.SBendtrans-61.8-27.5175.2-68.7171.5-137.200113.6N157N157-E159 HydrophobicContact CB-CB 4.47Å; N157-E159 HydrophobicContact CB-CG 3.88Å; N157-E159 VanDerWaalsContact CB-OE1 3.27Å; N157-E159 WeakPolarHBondContact CB-OE1 3.36Å; N157-E159 PolarHBondContact ND2-OE1 3.09Å; N157-E159 PolarHBondContact O-N 2.87Å
160K86.4Confident89.1Confident89 Ų8977.5 Ų77.539%0.38739%0.389SS..  trans-133.2124.8-178-177.8-167170.7-136.60109.7D136 T155 Q158 S162D136-K160 IonicContact OD2-NZ 2.94Å; T155-K160 PolarHBondContact N-O 2.85Å; Q158-K160 PolarHBondContact O-N 2.86Å; K160-S162 VanDerWaalsContact CE-OG 3.26Å; K160-S162 WeakPolarHBondContact CE-OG 3.26Å
161V90.5Very high88.7Confident73 Ų7378.9 Ų78.944%0.44239%0.391SS..EExtended strand (participates in β ladder)trans-114.9147.5162-177.30000107.4V152 F153 E154V152-V161 HydrophobicContact CG1-CG1 3.76Å; F153-V161 CarbonylContact O-C 3.54Å; F153-V161 WeakPolarHBondContact O-CA 3.25Å; E154-V161 HydrophobicContact CG-CG1 4.43Å; E154-V161 HydrophobicContact CG-CG2 4.35Å
162S91.9Very high87.7Confident24 Ų2487.2 Ų87.217%0.16844%0.436CS..EExtended strand (participates in β ladder)trans-144.7107.2175.1-61.40000110.4F153 K160F153-S162 PolarHBondContact N-O 3.35Å; F153-S162 PolarHBondContact O-N 3.41Å; K160-S162 VanDerWaalsContact CE-OG 3.26Å; K160-S162 WeakPolarHBondContact CE-OG 3.26Å
163D92.5Very high86.6Confident119 Ų11989.8 Ų89.864%0.63645%0.451SS*.EExtended strand (participates in β ladder)trans-85.5124.3176.7-51.1-83.4000110.2V152V152-D163 WeakPolarHBondContact CG2-OD1 3.5Å
164Y93.4Very high85.4Confident83 Ų8397.3 Ų97.333%0.32549%0.487SS..EExtended strand (participates in β ladder)trans-119.8148.5171.1-66.3-88.2000109.6I128 C131 A150 L151 F153I128-Y164 HydrophobicContact CG2-CD1 4.17Å; I128-Y164 HydrophobicContact CG2-CD2 4.33Å; I128-Y164 HydrophobicContact CG2-CG 3.79Å; C131-Y164 HydrophobicContact CB-CE1 4.33Å; C131-Y164 HydrophobicContact CB-CE2 4.04Å; C131-Y164 WeakPolarHBondContact CB-OH 3.23Å; A150-Y164 CarbonylContact C-O 3.58Å; A150-Y164 WeakPolarHBondContact CA-O 3.3Å; L151-Y164 PolarHBondContact N-O 3.09Å; L151-Y164 PolarHBondContact O-N 3.04Å; F153-Y164 AromaticContact CD2-CD2 3.64Å; F153-Y164 HydrophobicContact CD2-CD2 3.64Å; F153-Y164 AromaticContact CD2-CE2 3.54Å; F153-Y164 HydrophobicContact CD2-CE2 3.54Å; F153-Y164 AromaticContact CE2-CD2 3.43Å; F153-Y164 HydrophobicContact CE2-CD2 3.43Å; F153-Y164 VanDerWaalsContact CE2-CD2 3.43Å; F153-Y164 AromaticContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CE2 3.58Å; F153-Y164 HydrophobicContact CE2-CG 4.38Å; F153-Y164 HydrophobicContact CZ-CD2 4.23Å
165E91.7Very high84.5Confident135 Ų135101.6 Ų101.663%0.63151%0.507SS*.EExtended strand (participates in β ladder)trans-130.5134.7177.5-173.6175.8-163.600108.5T148T148-E165 VanDerWaalsContact CB-OE1 3.23Å; T148-E165 WeakPolarHBondContact CB-OE1 3.34Å; T148-E165 HydrophobicContact CG2-CG 4.03Å; T148-E165 WeakPolarHBondContact CG2-OE1 3.48Å; T148-E165 PolarHBondContact OG1-OE1 2.74Å
166M92.3Very high83.9Confident17 Ų17103.3 Ų103.38%0.08451%0.514CS..EExtended strand (participates in β ladder)trans-129.7146.317366.9179.1-71.500110.9V120 M125 I128 T148 L149 L151V120-M166 HydrophobicContact CG1-CE 3.84Å; M125-M166 HydrophobicContact CB-CE 4.17Å; M125-M166 HydrophobicContact CB-SD 3.98Å; M125-M166 HydrophobicContact CG-SD 3.95Å; I128-M166 HydrophobicContact CD1-CB 3.68Å; I128-M166 HydrophobicContact CD1-CG 4.28Å; I128-M166 HydrophobicContact CD1-SD 4.03Å; T148-M166 CarbonylContact C-O 3.6Å; T148-M166 WeakPolarHBondContact CA-O 3.34Å; T148-M166 WeakPolarHBondContact CB-O 3.47Å; L149-M166 HydrophobicContact CB-CG 4.12Å; L149-M166 HydrophobicContact CD2-SD 4.43Å; L149-M166 PolarHBondContact N-O 3.05Å; L149-M166 PolarHBondContact O-N 3.33Å; L151-M166 HydrophobicContact CD1-CG 3.88Å; L151-M166 HydrophobicContact CD1-SD 4.06Å
167K91.1Very high83.7Confident174 Ų174102.2 Ų102.276%0.75753%0.528SS*.EExtended strand (participates in β ladder)trans-70.3139.1172.5-64.9-163.3170.5-154.70110.6D147 T148D147-K167 WeakPolarHBondContact O-CA 3.29Å; T148-K167 HydrophobicContact CG2-CG 4.2Å
168L90.8Very high83.6Confident29 Ų2999.4 Ų99.415%0.15251%0.512CS..  trans-82.9174164-64.9-179.2000109.6M118 G119 V120 A146 D147 L149M118-L168 HydrophobicContact CB-CD1 3.88Å; M118-L168 HydrophobicContact CB-CD2 4.04Å; M118-L168 HydrophobicContact CG-CD1 3.88Å; M118-L168 HydrophobicContact SD-CD1 4.34Å; G119-L168 WeakPolarHBondContact O-CA 3.28Å; G119-L168 WeakPolarHBondContact O-CD2 3.29Å; V120-L168 HydrophobicContact CG2-CD2 3.61Å; A146-L168 HydrophobicContact CB-CD1 3.86Å; A146-L168 WeakPolarHBondContact O-CD1 3.45Å; D147-L168 PolarHBondContact O-N 2.88Å; L149-L168 HydrophobicContact CB-CD1 4.38Å; L149-L168 HydrophobicContact CB-CD2 3.83Å; L149-L168 HydrophobicContact CB-CG 4.12Å
169M88.6Confident83.6Confident60 Ų6095.9 Ų95.930%0.29650%0.502SS..BIsolated β-bridgetrans-139.4141.4179.343.4177.139.100109.3E75 G119 N121 L171E75-M169 HydrophobicContact CB-SD 4.07Å; E75-M169 HydrophobicContact CG-SD 4.18Å; E75-M169 WeakPolarHBondContact OE1-CE 3.38Å; G119-M169 VanDerWaalsContact C-CG 3.47Å; G119-M169 VanDerWaalsContact CA-O 3.24Å; G119-M169 WeakPolarHBondContact CA-O 3.4Å; G119-M169 WeakPolarHBondContact O-CG 3.4Å; G119-M169 PolarHBondContact O-N 2.81Å; N121-M169 HydrophobicContact CB-CE 4.07Å; N121-M169 HydrophobicContact CB-SD 4.25Å; M169-L171 HydrophobicContact CG-CD1 4.37Å; M169-L171 HydrophobicContact CG-CD2 4.44Å; M169-L171 HydrophobicContact CG-CG 4.16Å; M169-L171 PolarHBondContact O-N 2.94Å; M169-L171 HydrophobicContact SD-CD1 4.2Å; M169-L171 HydrophobicContact SD-CD2 4.08Å; M169-L171 HydrophobicContact SD-CG 4.26Å
170D83.8Confident83.1Confident172 Ų17297.9 Ų97.992%0.9251%0.511SS*.  trans-70.2121.8169.9-55.8-59.3000108.6
171L84.2Confident82.8Confident62 Ų6297.6 Ų97.633%0.32551%0.511SS..  trans-126.9126.3175.3-66.1178.3000108.3E75 M169 V173E75-L171 HydrophobicContact CB-CD1 4.35Å; M169-L171 HydrophobicContact CG-CD1 4.37Å; M169-L171 HydrophobicContact CG-CD2 4.44Å; M169-L171 HydrophobicContact CG-CG 4.16Å; M169-L171 PolarHBondContact O-N 2.94Å; M169-L171 HydrophobicContact SD-CD1 4.2Å; M169-L171 HydrophobicContact SD-CD2 4.08Å; M169-L171 HydrophobicContact SD-CG 4.26Å; L171-V173 WeakPolarHBondContact O-CG2 3.45Å; L171-V173 PolarHBondContact O-N 2.95Å
172D73.2Confident82.4Confident176 Ų176102.8 Ų102.894%0.94153%0.531SS*.  trans-72.7117.8170-68.6-53.1000109.2
173V68.8Low82.3Confident59 Ų59104 Ų10436%0.35853%0.532SS..  trans-107.6105.3-173.7-168.10000111C77 L171 Q175C77-V173 HydrophobicContact CB-CG1 4.41Å; C77-V173 HydrophobicContact CB-CG2 3.35Å; L171-V173 WeakPolarHBondContact O-CG2 3.45Å; L171-V173 PolarHBondContact O-N 2.95Å; V173-Q175 HydrophobicContact CG1-CG 4.05Å; V173-Q175 PolarHBondContact O-N 3.5Å; V173-Q175 VanDerWaalsContact O-N 3.14Å
174E69.5Low82.2Confident161 Ų16199 Ų9975%0.75251%0.507SS*.  trans-78.491164.7-65.8-167.9159.800109.8L176E174-L176 PolarHBondContact O-N 3.44Å
175Q71Confident82.1Confident128 Ų12895.1 Ų95.160%0.59849%0.492SS*.  trans-66.4114.7171.1-73.8-174-1500109.9D79 V173D79-Q175 PolarHBondContact OD2-NE2 3.25Å; V173-Q175 HydrophobicContact CG1-CG 4.05Å; V173-Q175 PolarHBondContact O-N 3.5Å; V173-Q175 VanDerWaalsContact O-N 3.14Å
176L77.8Confident82.2Confident76 Ų7690.5 Ų90.540%0.39847%0.473SS..  trans-88.7117178.8-73.1171.5000110Q88 M90 L97 E174 I178Q88-L176 PolarHBondContact NE2-O 3.14Å; Q88-L176 PolarHBondContact OE1-O 3.21Å; M90-L176 HydrophobicContact CE-CD1 3.75Å; M90-L176 HydrophobicContact CG-CD1 4.3Å; M90-L176 HydrophobicContact SD-CD1 3.78Å; L97-L176 HydrophobicContact CD1-CB 4.32Å; L97-L176 HydrophobicContact CD1-CD1 3.67Å; E174-L176 PolarHBondContact O-N 3.44Å; L176-I178 PolarHBondContact O-N 2.75Å
177G76.5Confident82.3Confident80 Ų8089.7 Ų89.783%0.82547%0.469SS*.  trans-65.499173.600000111.3P179G177-P179 WeakPolarHBondContact O-CD 3.44Å
178I81.2Confident82.5Confident57 Ų5784.6 Ų84.629%0.29245%0.446SS..  trans-76.9115.2174-52.8-178.4000107.9L97 L176 Y300L97-I178 HydrophobicContact CD2-CD1 3.9Å; L176-I178 PolarHBondContact O-N 2.75Å; I178-Y300 HydrophobicContact CD1-CD2 4.48Å; I178-Y300 HydrophobicContact CD1-CE1 4.31Å; I178-Y300 HydrophobicContact CD1-CE2 3.78Å; I178-Y300 HydrophobicContact CG2-CE1 3.99Å
179P77.2Confident82.6Confident77 Ų7783.2 Ų83.250%0.544%0.439SS..  trans-70.8149.317630.3-34.8000110.9G177 Q181G177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-Q181 HydrophobicContact CB-CG 4.39Å; P179-Q181 HydrophobicContact CG-CG 4.06Å; P179-Q181 PolarHBondContact O-N 2.98Å
180E73.8Confident82.9Confident204 Ų20481.6 Ų81.695%0.95343%0.434SS*.  trans-69.8126.8164.6-63.6-172.5153.300108.8
181Q79.1Confident83.5Confident83 Ų8373.7 Ų73.739%0.38839%0.391SS..  trans-134.3142.5-175.7-69.9178.1-2700109.4P179 Y183 I283P179-Q181 HydrophobicContact CB-CG 4.39Å; P179-Q181 HydrophobicContact CG-CG 4.06Å; P179-Q181 PolarHBondContact O-N 2.98Å; Q181-Y183 WeakPolarHBondContact O-CD2 3.42Å; Q181-Y183 VanDerWaalsContact O-CE2 3.28Å; Q181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Q181-I283 HydrophobicContact CB-CD1 4.43Å
182E82.7Confident84Confident183 Ų18372.8 Ų72.886%0.85540%0.398SS*.  trans-81.5144.2170.4-63.6-175.4172.200109.8
183Y89.6Confident85Confident48 Ų4867.6 Ų67.619%0.18837%0.367CS..  trans-112.5132-177.5-61.8-86.6000110.7Q181 C185 I283 V286Q181-Y183 WeakPolarHBondContact O-CD2 3.42Å; Q181-Y183 VanDerWaalsContact O-CE2 3.28Å; Q181-Y183 WeakPolarHBondContact O-CE2 3.39Å; Y183-C185 VanDerWaalsContact C-N 3.29Å; Y183-C185 PolarHBondContact O-N 3Å; Y183-I283 HydrophobicContact CE1-CG2 4.05Å; Y183-V286 HydrophobicContact CE1-CG2 3.88Å; Y183-V286 WeakPolarHBondContact OH-CG2 3.42Å
184S90.4Very high86.3Confident16 Ų1664.8 Ų64.811%0.11235%0.35CS..SBendtrans-63.5-30.6179-59.90000113.7N250 E251 M279 S280S184-N250 PolarHBondContact O-N 2.75Å; S184-E251 PolarHBondContact O-N 2.71Å; S184-M279 PolarHBondContact N-O 3.38Å; S184-M279 VanDerWaalsContact N-O 3.09Å; S184-S280 PolarHBondContact OG-OG 3.26Å
185C91.7Very high87.6Confident0 Ų057.5 Ų57.50%032%0.318CS..EExtended strand (participates in β ladder)trans-142.6132.7172.8174.60000111.9Y183 V187 C212 E248 M249 V253 M279Y183-C185 VanDerWaalsContact C-N 3.29Å; Y183-C185 PolarHBondContact O-N 3Å; C185-V187 VanDerWaalsContact SG-CG2 3.55Å; C185-C212 HydrophobicContact CB-CB 3.79Å; C185-C212 WeakPolarHBondContact CB-SG 3.44Å; C185-C212 WeakPolarHBondContact SG-CB 3.41Å; C185-C212 CovalentContact SG-SG 2.04Å; C185-C212 PolarHBondContact SG-SG 3.24Å; C185-E248 CarbonylContact C-O 3.6Å; C185-E248 WeakPolarHBondContact CA-O 3.36Å; C185-M249 HydrophobicContact CB-CB 4.46Å; C185-M249 HydrophobicContact CB-CG 4.13Å; C185-V253 HydrophobicContact CB-CG2 4.28Å; C185-M279 PolarHBondContact N-O 3.36Å; C185-M279 PolarHBondContact O-N 2.82Å
186V93.8Very high88.7Confident39 Ų3957.6 Ų57.624%0.23631%0.313CS..EExtended strand (participates in β ladder)trans-121.6122.7173.6-178.50000108.8E248 T276 L277V186-E248 HydrophobicContact CB-CB 4.46Å; V186-E248 PolarHBondContact N-O 2.79Å; V186-E248 PolarHBondContact O-N 2.85Å; V186-T276 HydrophobicContact CG1-CG2 3.57Å; V186-L277 CarbonylContact C-O 3.59Å; V186-L277 WeakPolarHBondContact CA-O 3.19Å
187V93.8Very high89.6Confident0 Ų054.2 Ų54.20%030%0.295CS..EExtended strand (participates in β ladder)trans-121.1115.4-179.4-174.50000110.2C185 M189 V217 I247 T276 L277 M279C185-V187 VanDerWaalsContact SG-CG2 3.55Å; V187-M189 HydrophobicContact CB-CE 4.29Å; V187-M189 HydrophobicContact CG1-CE 3.39Å; V187-V217 HydrophobicContact CG1-CB 4.5Å; V187-V217 HydrophobicContact CG1-CG1 4.11Å; V187-V217 HydrophobicContact CG2-CB 4.45Å; V187-I247 HydrophobicContact CG1-CG1 4.02Å; V187-I247 HydrophobicContact CG2-CG1 4.29Å; V187-I247 HydrophobicContact CG2-CG2 4.37Å; V187-T276 CarbonylContact O-C 3.58Å; V187-T276 WeakPolarHBondContact O-CA 3.26Å; V187-L277 HydrophobicContact CB-CB 4.44Å; V187-L277 PolarHBondContact N-O 2.93Å; V187-L277 PolarHBondContact O-N 2.67Å; V187-M279 HydrophobicContact CG2-CE 4Å
188K94.4Very high90.5Very high66 Ų6650.5 Ų50.529%0.28726%0.256SS..EExtended strand (participates in β ladder)trans-101.6130.7169.4168.8-166.3172.4-161.10109.6T246 V275 T276K188-T246 WeakPolarHBondContact CB-OG1 3.49Å; K188-T246 PolarHBondContact N-O 2.77Å; K188-T246 PolarHBondContact O-N 3.07Å; K188-V275 WeakPolarHBondContact CA-O 3.3Å; K188-T276 HydrophobicContact CB-CG2 4.45Å
189M94.3Very high91.2Very high0 Ų054.1 Ų54.10%027%0.266CS..EExtended strand (participates in β ladder)trans-148.5168.6-177.169.1-178.968.400111.8V187 S191 F194 V217 F219 L232 V245 T274 V275 L277V187-M189 HydrophobicContact CB-CE 4.29Å; V187-M189 HydrophobicContact CG1-CE 3.39Å; M189-S191 PolarHBondContact O-N 3.44Å; M189-F194 HydrophobicContact CG-CB 4.37Å; M189-F194 HydrophobicContact SD-CB 3.92Å; M189-F194 HydrophobicContact SD-CD2 4.04Å; M189-F194 HydrophobicContact SD-CG 4.38Å; M189-V217 HydrophobicContact CE-CG1 4.1Å; M189-F219 HydrophobicContact CE-CE2 4.21Å; M189-F219 HydrophobicContact CE-CZ 3.93Å; M189-F219 HydrophobicContact SD-CZ 4.33Å; M189-L232 HydrophobicContact CE-CD1 4.28Å; M189-L232 HydrophobicContact SD-CD1 3.91Å; M189-V245 HydrophobicContact CB-CG1 4.48Å; M189-V245 HydrophobicContact CB-CG2 4.19Å; M189-T274 CarbonylContact O-C 3.53Å; M189-T274 VanDerWaalsContact O-CA 3.24Å; M189-T274 WeakPolarHBondContact O-CA 3.34Å; M189-T274 WeakPolarHBondContact O-CB 3.45Å; M189-V275 HydrophobicContact CG-CG1 3.68Å; M189-V275 PolarHBondContact N-O 3.49Å; M189-V275 PolarHBondContact O-N 3.37Å; M189-L277 HydrophobicContact CE-CD1 3.7Å; M189-L277 HydrophobicContact CE-CG 4.46Å; M189-L277 HydrophobicContact SD-CD1 4.43Å
190P94.9Very high92Very high27 Ų2754 Ų5418%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-62.8126.9174-23.135.8000111.9G192 E193 F194 K273P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 3.23Å; P190-E193 HydrophobicContact CB-CB 4.4Å; P190-E193 PolarHBondContact O-N 3.42Å; P190-E193 VanDerWaalsContact O-N 3.14Å; P190-F194 PolarHBondContact O-N 3.06Å; P190-F194 VanDerWaalsContact O-N 3.15Å; P190-K273 WeakPolarHBondContact CA-O 3.24Å
191S95.8Very high93Very high5 Ų544.6 Ų44.64%0.03522%0.218CC..Hα-helixtrans-66-27.4-176.560.90000113.2M189 A195 T269 S272 K273M189-S191 PolarHBondContact O-N 3.44Å; S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.89Å; S191-T269 PolarHBondContact O-OG1 2.95Å; S191-T269 VanDerWaalsContact O-OG1 3.1Å; S191-S272 WeakPolarHBondContact CB-O 3.45Å; S191-S272 PolarHBondContact OG-O 3.22Å; S191-K273 PolarHBondContact N-O 3.41Å; S191-K273 PolarHBondContact OG-O 3.15Å; S191-K273 VanDerWaalsContact OG-O 3.06Å
192G95.1Very high93.7Very high44 Ų4442.1 Ų42.145%0.45421%0.209SC..Hα-helixtrans-68.3-35.6173.700000113.3P190 R196P190-G192 VanDerWaalsContact C-N 3.26Å; P190-G192 PolarHBondContact O-N 3.23Å; G192-R196 PolarHBondContact O-N 3.04Å; G192-R196 VanDerWaalsContact O-N 3.11Å
193E93.9Very high94.2Very high66 Ų6640 Ų4031%0.30820%0.199SC..Hα-helixtrans-78.1-40.4178.4-170.960.8-164.400110.7P190 A195 R196 I197 L232P190-E193 HydrophobicContact CB-CB 4.4Å; P190-E193 PolarHBondContact O-N 3.42Å; P190-E193 VanDerWaalsContact O-N 3.14Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.29Å; E193-R196 WeakPolarHBondContact O-CA 3.13Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.93Å; E193-L232 HydrophobicContact CG-CD2 4.5Å
194F95.9Very high94.4Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-56.7-47169.6-177.9-111.9000111.8M189 P190 R196 I197 C198 F219 L262 T266 V275 L277 V287M189-F194 HydrophobicContact CG-CB 4.37Å; M189-F194 HydrophobicContact SD-CB 3.92Å; M189-F194 HydrophobicContact SD-CD2 4.04Å; M189-F194 HydrophobicContact SD-CG 4.38Å; P190-F194 PolarHBondContact O-N 3.06Å; P190-F194 VanDerWaalsContact O-N 3.15Å; F194-R196 PolarHBondContact O-N 3.39Å; F194-I197 PolarHBondContact O-N 3.01Å; F194-C198 PolarHBondContact O-N 3.09Å; F194-C198 PolarHBondContact O-SG 3.35Å; F194-F219 HydrophobicContact CD2-CE1 4.37Å; F194-F219 HydrophobicContact CD2-CZ 4.29Å; F194-F219 HydrophobicContact CE2-CE1 4.11Å; F194-F219 HydrophobicContact CE2-CZ 4.41Å; F194-L262 HydrophobicContact CZ-CD2 4.46Å; F194-T266 HydrophobicContact CD1-CG2 3.76Å; F194-T266 HydrophobicContact CE1-CG2 3.79Å; F194-V275 HydrophobicContact CB-CG1 3.7Å; F194-V275 HydrophobicContact CD1-CG1 4.03Å; F194-V275 HydrophobicContact CD1-CG2 4.4Å; F194-V275 HydrophobicContact CG-CG1 3.9Å; F194-L277 HydrophobicContact CD2-CD1 4.05Å; F194-L277 HydrophobicContact CD2-CD2 4.47Å; F194-L277 HydrophobicContact CE1-CD2 4.33Å; F194-L277 HydrophobicContact CE2-CD1 3.74Å; F194-L277 HydrophobicContact CE2-CD2 3.91Å; F194-L277 HydrophobicContact CE2-CG 4.45Å; F194-L277 HydrophobicContact CZ-CD1 4.48Å; F194-L277 HydrophobicContact CZ-CD2 3.83Å; F194-V287 HydrophobicContact CE1-CG1 4.22Å
195A96.1Very high94.4Very high8 Ų840 Ų407%0.06620%0.204CC..Hα-helixtrans-66-14.6175.500000114.6S191 E193 R199 T266 T269S191-A195 WeakPolarHBondContact O-CB 3.45Å; S191-A195 PolarHBondContact O-N 2.89Å; E193-A195 VanDerWaalsContact C-N 3.33Å; E193-A195 PolarHBondContact O-N 3.29Å; A195-R199 PolarHBondContact O-NH1 3.08Å; A195-R199 PolarHBondContact O-NH2 2.79Å; A195-T266 HydrophobicContact CB-CG2 3.9Å; A195-T269 HydrophobicContact CB-CG2 4.35Å
196R95.8Very high94.5Very high131 Ų13146.6 Ų46.649%0.49424%0.24SC..Hα-helixtrans-85.2-51.9168.8-178.7-175.5-179.9-179.24.3110.8G192 E193 F194 C198 R199 D200G192-R196 PolarHBondContact O-N 3.04Å; G192-R196 VanDerWaalsContact O-N 3.11Å; E193-R196 WeakPolarHBondContact O-CA 3.13Å; E193-R196 WeakPolarHBondContact O-CB 3.29Å; E193-R196 PolarHBondContact O-N 3.24Å; F194-R196 PolarHBondContact O-N 3.39Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.09Å; R196-R199 PolarHBondContact O-N 3.14Å; R196-D200 VanDerWaalsContact CG-OD2 3.26Å; R196-D200 WeakPolarHBondContact CG-OD2 3.44Å; R196-D200 IonicContact NE-OD2 2.69Å; R196-D200 PolarHBondContact NE-OD2 3.01Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.32Å; R196-D200 PolarHBondContact O-N 3.02Å
197I95.8Very high94.5Very high4 Ų446 Ų462%0.02124%0.239CC..Hα-helixtrans-53.7-46.4-179.6-68.6170.1000111.2E193 F194 L201 F219 V230 L232E193-I197 HydrophobicContact CG-CD1 4.16Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.93Å; F194-I197 PolarHBondContact O-N 3.01Å; I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.14Å; I197-F219 HydrophobicContact CD1-CD2 4.16Å; I197-F219 HydrophobicContact CD1-CE2 4.19Å; I197-F219 HydrophobicContact CG2-CB 3.81Å; I197-F219 HydrophobicContact CG2-CD1 4Å; I197-F219 HydrophobicContact CG2-CD2 3.99Å; I197-F219 HydrophobicContact CG2-CG 3.67Å; I197-V230 HydrophobicContact CD1-CG1 3.87Å; I197-V230 HydrophobicContact CG1-CB 4.47Å; I197-V230 HydrophobicContact CG1-CG1 4.01Å; I197-L232 HydrophobicContact CD1-CD1 3.83Å; I197-L232 HydrophobicContact CD1-CD2 4.42Å; I197-L232 HydrophobicContact CD1-CG 4.19Å
198C96Very high94.6Very high2 Ų246 Ų461%0.01424%0.239CC..Hα-helixtrans-60.3-48.1176.6-64.70000112.1F194 R196 S202 L259 L262 N263 T266F194-C198 PolarHBondContact O-N 3.09Å; F194-C198 PolarHBondContact O-SG 3.35Å; R196-C198 VanDerWaalsContact C-N 3.31Å; R196-C198 PolarHBondContact O-N 3.09Å; C198-S202 WeakPolarHBondContact O-CB 3.45Å; C198-S202 PolarHBondContact O-N 2.84Å; C198-S202 PolarHBondContact O-OG 3.39Å; C198-L259 HydrophobicContact CB-CD2 4.25Å; C198-L262 HydrophobicContact CB-CB 4.5Å; C198-N263 WeakPolarHBondContact CB-OD1 3.37Å; C198-T266 HydrophobicContact CB-CG2 4.2Å
199R95Very high94.6Very high133 Ų13345.8 Ų45.850%0.50224%0.239SC..Hα-helixtrans-63.5-47.3-179.3-173.3-172.9-55.88915.9112.2A195 R196 S202A195-R199 PolarHBondContact O-NH1 3.08Å; A195-R199 PolarHBondContact O-NH2 2.79Å; R196-R199 PolarHBondContact O-N 3.14Å; R199-S202 WeakPolarHBondContact O-CB 3.41Å; R199-S202 PolarHBondContact O-N 2.86Å
200D94.7Very high94.6Very high75 Ų7545.8 Ų45.840%0.40124%0.239SC..Hα-helixtrans-68.7-40.6-174.4-65.96.3000110.1R196 Q203R196-D200 VanDerWaalsContact CG-OD2 3.26Å; R196-D200 WeakPolarHBondContact CG-OD2 3.44Å; R196-D200 IonicContact NE-OD2 2.69Å; R196-D200 PolarHBondContact NE-OD2 3.01Å; R196-D200 WeakPolarHBondContact O-CB 3.48Å; R196-D200 VanDerWaalsContact O-CG 3.32Å; R196-D200 PolarHBondContact O-N 3.02Å; D200-Q203 PolarHBondContact O-N 3.22Å
201L94.9Very high94.6Very high6 Ų645.9 Ų45.93%0.03124%0.241CC..Hα-helixtrans-71.1-27.8174-66.7177.7000113.4I197 Q203 I204 G205 V208 F219 A221 V230 L259I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.39Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 VanDerWaalsContact O-CG 3.28Å; I197-L201 WeakPolarHBondContact O-CG 3.49Å; I197-L201 PolarHBondContact O-N 3.14Å; L201-Q203 PolarHBondContact O-N 2.91Å; L201-Q203 VanDerWaalsContact O-N 3.16Å; L201-I204 WeakPolarHBondContact O-CB 3.48Å; L201-I204 PolarHBondContact O-N 2.82Å; L201-G205 PolarHBondContact O-N 2.82Å; L201-V208 HydrophobicContact CD1-CG2 3.77Å; L201-F219 HydrophobicContact CD1-CB 3.68Å; L201-A221 HydrophobicContact CB-CB 3.99Å; L201-A221 HydrophobicContact CD2-CB 4.05Å; L201-A221 HydrophobicContact CG-CB 4.42Å; L201-V230 HydrophobicContact CD2-CG2 4.5Å; L201-L259 HydrophobicContact CB-CD1 4.02Å
202S94.1Very high94.4Very high31 Ų3145.7 Ų45.722%0.21724%0.239CC..THydrogen-bonded Turntrans-69-5.8174.2-56.60000113.8C198 R199 I204 N263C198-S202 WeakPolarHBondContact O-CB 3.45Å; C198-S202 PolarHBondContact O-N 2.84Å; C198-S202 PolarHBondContact O-OG 3.39Å; R199-S202 WeakPolarHBondContact O-CB 3.41Å; R199-S202 PolarHBondContact O-N 2.86Å; S202-I204 VanDerWaalsContact C-N 3.35Å; S202-N263 PolarHBondContact OG-ND2 2.83Å
203Q91.8Very high94Very high138 Ų13844.8 Ų44.865%0.64523%0.228SC*.THydrogen-bonded Turntrans-87.2-7.1167.9-54-55.2-83.100112.5D200 L201D200-Q203 PolarHBondContact O-N 3.22Å; L201-Q203 PolarHBondContact O-N 2.91Å; L201-Q203 VanDerWaalsContact O-N 3.16Å
204I93.4Very high93.4Very high50 Ų5051.4 Ų51.426%0.25626%0.256SS..THydrogen-bonded Turntrans-108.1-38.3-176.4-51.8-59.3000111.8L201 S202 G223 G226L201-I204 WeakPolarHBondContact O-CB 3.48Å; L201-I204 PolarHBondContact O-N 2.82Å; S202-I204 VanDerWaalsContact C-N 3.35Å; I204-G223 WeakPolarHBondContact O-CA 3.23Å; I204-G226 VanDerWaalsContact CG2-O 3.31Å; I204-G226 WeakPolarHBondContact CG2-O 3.48Å
205G92.3Very high92.6Very high14 Ų1456.2 Ų56.214%0.14428%0.281CS..  trans-172.7171.3176.500000113.7L201 A207 L259L201-G205 PolarHBondContact O-N 2.82Å; G205-A207 VanDerWaalsContact C-N 3.33Å; G205-A207 PolarHBondContact O-N 2.86Å; G205-L259 VanDerWaalsContact O-CD1 3.23Å; G205-L259 WeakPolarHBondContact O-CD1 3.24Å
206D92.5Very high92.1Very high139 Ų13956 Ų5674%0.74328%0.28SS*.SBendtrans-81.9-5.1-171.2-60-54.6000115.2L259D206-L259 PolarHBondContact O-N 3.06Å
207A94Very high92Very high26 Ų2649.7 Ų49.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-135.7145.7-177.100000112.1G205 A221 I256 F257 K304G205-A207 VanDerWaalsContact C-N 3.33Å; G205-A207 PolarHBondContact O-N 2.86Å; A207-A221 WeakPolarHBondContact O-CB 3.45Å; A207-I256 HydrophobicContact CB-CG2 3.9Å; A207-F257 CarbonylContact C-O 3.58Å; A207-F257 VanDerWaalsContact CA-O 3.24Å; A207-F257 WeakPolarHBondContact CA-O 3.37Å; A207-K304 HydrophobicContact CB-CD 4.42Å
208V95.6Very high91.9Very high1 Ų153.6 Ų53.61%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-118.8127172630000110.1L201 I210 F219 S220 I256 F257 L259 L262L201-V208 HydrophobicContact CD1-CG2 3.77Å; V208-I210 HydrophobicContact CG1-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.2Å; V208-I210 HydrophobicContact CG2-CG1 4.33Å; V208-F219 HydrophobicContact CG2-CB 3.97Å; V208-F219 HydrophobicContact CG2-CD1 4.08Å; V208-S220 CarbonylContact C-O 3.57Å; V208-S220 WeakPolarHBondContact CA-O 3.19Å; V208-I256 WeakPolarHBondContact O-CA 3.48Å; V208-F257 PolarHBondContact N-O 2.78Å; V208-F257 PolarHBondContact O-N 3.35Å; V208-L259 HydrophobicContact CB-CD1 3.99Å; V208-L259 HydrophobicContact CB-CD2 3.88Å; V208-L259 HydrophobicContact CB-CG 3.79Å; V208-L259 HydrophobicContact CG1-CD2 3.69Å; V208-L259 HydrophobicContact CG1-CG 3.81Å; V208-L262 HydrophobicContact CG1-CD1 3.44Å; V208-L262 VanDerWaalsContact CG1-CD1 3.44Å
209M95Very high92Very high61 Ų6153.6 Ų53.630%0.327%0.272SS..EExtended strand (participates in β ladder)trans-82.4115.3164.7-179.6-179-75.500108.2S220 Q254 L255 I256M209-S220 PolarHBondContact N-O 3.39Å; M209-S220 PolarHBondContact O-N 2.71Å; M209-Q254 HydrophobicContact CG-CG 4.04Å; M209-Q254 HydrophobicContact SD-CG 4.2Å; M209-Q254 PolarHBondContact SD-NE2 2.67Å; M209-L255 CarbonylContact C-O 3.57Å; M209-L255 WeakPolarHBondContact CA-O 3.45Å; M209-I256 HydrophobicContact CB-CG1 4.18Å; M209-I256 HydrophobicContact CE-CD1 3.82Å; M209-I256 HydrophobicContact CE-CG1 4.01Å; M209-I256 HydrophobicContact CG-CG1 4.3Å
210I94.9Very high92Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-99.5123.5173.7-51.1179.7000107.3V208 V217 K218 F219 Q254 L255 F257 M279 L285V208-I210 HydrophobicContact CG1-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CG1 4.2Å; V208-I210 HydrophobicContact CG2-CG1 4.33Å; I210-V217 HydrophobicContact CG2-CG2 3.97Å; I210-K218 WeakPolarHBondContact CA-O 3.19Å; I210-F219 HydrophobicContact CD1-CD1 4.25Å; I210-F219 HydrophobicContact CD1-CE1 3.89Å; I210-F219 HydrophobicContact CG1-CD1 3.84Å; I210-F219 HydrophobicContact CG1-CE1 3.93Å; I210-F219 HydrophobicContact CG2-CD1 4.34Å; I210-F219 HydrophobicContact CG2-CE1 4.04Å; I210-Q254 WeakPolarHBondContact O-CA 3.46Å; I210-L255 PolarHBondContact N-O 2.98Å; I210-L255 PolarHBondContact O-N 3.22Å; I210-F257 HydrophobicContact CB-CD2 4.48Å; I210-F257 HydrophobicContact CB-CE2 4.43Å; I210-F257 HydrophobicContact CD1-CD2 3.67Å; I210-F257 HydrophobicContact CD1-CE2 4.05Å; I210-F257 HydrophobicContact CG1-CD2 3.97Å; I210-F257 HydrophobicContact CG1-CE2 4.36Å; I210-M279 HydrophobicContact CB-SD 4.33Å; I210-M279 HydrophobicContact CG2-CE 4.22Å; I210-M279 HydrophobicContact CG2-SD 3.74Å; I210-L285 HydrophobicContact CD1-CD2 4.21Å
211S93.1Very high92Very high29 Ų2944.8 Ų44.820%0.20324%0.237CC..EExtended strand (participates in β ladder)trans-122.9123.3177.8179.70000109.9V217 K218 V253S211-V217 CarbonylContact O-C 3.6Å; S211-V217 WeakPolarHBondContact O-CA 3.47Å; S211-K218 PolarHBondContact N-O 2.81Å; S211-K218 PolarHBondContact O-N 3.27Å; S211-V253 CarbonylContact C-O 3.57Å; S211-V253 WeakPolarHBondContact CA-O 3.24Å
212C91.7Very high91.9Very high1 Ų148.6 Ų48.61%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-104.1121.2174.7176.90000109.1C185 P252 V253 M279C185-C212 HydrophobicContact CB-CB 3.79Å; C185-C212 WeakPolarHBondContact CB-SG 3.44Å; C185-C212 WeakPolarHBondContact SG-CB 3.41Å; C185-C212 CovalentContact SG-SG 2.04Å; C185-C212 PolarHBondContact SG-SG 3.24Å; C212-P252 WeakPolarHBondContact O-CA 3.31Å; C212-V253 PolarHBondContact N-O 3.26Å; C212-V253 PolarHBondContact O-N 2.78Å; C212-M279 HydrophobicContact CB-CE 4.19Å
213A87.9Confident91.7Very high26 Ų2648.7 Ų48.722%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-144.2169.9-176.900000111.8D215 G216 M249A213-D215 WeakPolarHBondContact CB-OD1 3.33Å; A213-D215 PolarHBondContact O-N 2.96Å; A213-G216 PolarHBondContact N-O 3.31Å; A213-G216 PolarHBondContact O-N 3.21Å; A213-G216 VanDerWaalsContact O-N 3.07Å; A213-G216 VanDerWaalsContact O-O 3.06Å; A213-M249 VanDerWaalsContact CA-SD 3.57Å
214K81.3Confident91.6Very high205 Ų20552 Ų5289%0.89129%0.286SS*.THydrogen-bonded Turntrans-59.4-18.2-177-65-171.6178.3-177.60114.5M249K214-M249 HydrophobicContact CB-CE 4.47Å; K214-M249 HydrophobicContact CG-CE 3.57Å
215D77.8Confident91.3Very high100 Ų10056.7 Ų56.754%0.53531%0.311SS..THydrogen-bonded Turntrans-104.52.1-177.468.3-39.8000113.5A213 K231A213-D215 WeakPolarHBondContact CB-OD1 3.33Å; A213-D215 PolarHBondContact O-N 2.96Å; D215-K231 WeakPolarHBondContact O-CE 3.35Å; D215-K231 PolarHBondContact O-NZ 2.9Å; D215-K231 WeakPolarHBondContact OD2-CE 3.45Å; D215-K231 IonicContact OD2-NZ 2.63Å; D215-K231 PolarHBondContact OD2-NZ 2.95Å
216G87.2Confident91.2Very high3 Ų357.6 Ų57.63%0.03132%0.32CS..EExtended strand (participates in β ladder)trans140.9-175.6175.300000113.9A213 L232A213-G216 PolarHBondContact N-O 3.31Å; A213-G216 PolarHBondContact O-N 3.21Å; A213-G216 VanDerWaalsContact O-N 3.07Å; A213-G216 VanDerWaalsContact O-O 3.06Å; G216-L232 CarbonylContact C-O 3.55Å; G216-L232 WeakPolarHBondContact CA-O 3.25Å
217V93.1Very high91.2Very high0 Ų055.7 Ų55.70%031%0.313CS..EExtended strand (participates in β ladder)trans-97.7134.5165.4640000109.5V187 M189 I210 S211 F219 K231 L232 I247V187-V217 HydrophobicContact CG1-CB 4.5Å; V187-V217 HydrophobicContact CG1-CG1 4.11Å; V187-V217 HydrophobicContact CG2-CB 4.45Å; M189-V217 HydrophobicContact CE-CG1 4.1Å; I210-V217 HydrophobicContact CG2-CG2 3.97Å; S211-V217 CarbonylContact O-C 3.6Å; S211-V217 WeakPolarHBondContact O-CA 3.47Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; V217-F219 HydrophobicContact CG2-CE2 3.96Å; V217-F219 HydrophobicContact CG2-CZ 4.15Å; V217-K231 WeakPolarHBondContact O-CA 3.47Å; V217-L232 HydrophobicContact CG1-CB 3.82Å; V217-L232 HydrophobicContact CG1-CD1 4.47Å; V217-L232 PolarHBondContact N-O 2.81Å; V217-L232 PolarHBondContact O-N 3.1Å; V217-I247 HydrophobicContact CB-CD1 4.39Å; V217-I247 HydrophobicContact CG1-CD1 4.46Å
218K94.8Very high91.2Very high86 Ų8655 Ų5537%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-119.3132.7179.4-172.1-173.7-177.3-120.80110I210 S211 S220 N229 V230 K231I210-K218 WeakPolarHBondContact CA-O 3.19Å; S211-K218 PolarHBondContact N-O 2.81Å; S211-K218 PolarHBondContact O-N 3.27Å; K218-S220 WeakPolarHBondContact CE-OG 3.4Å; K218-S220 PolarHBondContact NZ-OG 2.94Å; K218-N229 VanDerWaalsContact CE-OD1 3.24Å; K218-N229 WeakPolarHBondContact CE-OD1 3.45Å; K218-N229 PolarHBondContact NZ-OD1 3.03Å; K218-V230 WeakPolarHBondContact CA-O 3.47Å; K218-K231 HydrophobicContact CB-CG 4.45Å
219F96.3Very high91.2Very high1 Ų159.2 Ų59.20%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-110.8122.4171.9-61.2-93.6000108.5M189 F194 I197 L201 V208 I210 V217 N229 V230 L232 L277M189-F219 HydrophobicContact CE-CE2 4.21Å; M189-F219 HydrophobicContact CE-CZ 3.93Å; M189-F219 HydrophobicContact SD-CZ 4.33Å; F194-F219 HydrophobicContact CD2-CE1 4.37Å; F194-F219 HydrophobicContact CD2-CZ 4.29Å; F194-F219 HydrophobicContact CE2-CE1 4.11Å; F194-F219 HydrophobicContact CE2-CZ 4.41Å; I197-F219 HydrophobicContact CD1-CD2 4.16Å; I197-F219 HydrophobicContact CD1-CE2 4.19Å; I197-F219 HydrophobicContact CG2-CB 3.81Å; I197-F219 HydrophobicContact CG2-CD1 4Å; I197-F219 HydrophobicContact CG2-CD2 3.99Å; I197-F219 HydrophobicContact CG2-CG 3.67Å; L201-F219 HydrophobicContact CD1-CB 3.68Å; V208-F219 HydrophobicContact CG2-CB 3.97Å; V208-F219 HydrophobicContact CG2-CD1 4.08Å; I210-F219 HydrophobicContact CD1-CD1 4.25Å; I210-F219 HydrophobicContact CD1-CE1 3.89Å; I210-F219 HydrophobicContact CG1-CD1 3.84Å; I210-F219 HydrophobicContact CG1-CE1 3.93Å; I210-F219 HydrophobicContact CG2-CD1 4.34Å; I210-F219 HydrophobicContact CG2-CE1 4.04Å; V217-F219 HydrophobicContact CG1-CE2 3.98Å; V217-F219 HydrophobicContact CG2-CE2 3.96Å; V217-F219 HydrophobicContact CG2-CZ 4.15Å; F219-N229 WeakPolarHBondContact O-CA 3.29Å; F219-V230 PolarHBondContact N-O 2.65Å; F219-V230 PolarHBondContact O-N 2.81Å; F219-L232 HydrophobicContact CE2-CD1 4.36Å; F219-L277 HydrophobicContact CE1-CD1 4.41Å; F219-L277 HydrophobicContact CZ-CD1 4.08Å
220S95.4Very high91.1Very high17 Ų1758.5 Ų58.512%0.11933%0.331CS..EExtended strand (participates in β ladder)trans-126.6130.9179.8-74.60000111.1V208 M209 K218 G228 N229V208-S220 CarbonylContact C-O 3.57Å; V208-S220 WeakPolarHBondContact CA-O 3.19Å; M209-S220 PolarHBondContact N-O 3.39Å; M209-S220 PolarHBondContact O-N 2.71Å; K218-S220 WeakPolarHBondContact CE-OG 3.4Å; K218-S220 PolarHBondContact NZ-OG 2.94Å; S220-G228 CarbonylContact C-O 3.59Å; S220-G228 WeakPolarHBondContact CA-O 3.39Å; S220-N229 PolarHBondContact OG-OD1 2.85Å
221A95.4Very high91Very high6 Ų663 Ų635%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-126.9151.2170.900000110.1L201 A207 T227 G228 L259L201-A221 HydrophobicContact CB-CB 3.99Å; L201-A221 HydrophobicContact CD2-CB 4.05Å; L201-A221 HydrophobicContact CG-CB 4.42Å; A207-A221 WeakPolarHBondContact O-CB 3.45Å; A221-T227 CarbonylContact O-C 3.58Å; A221-T227 WeakPolarHBondContact O-CA 3.38Å; A221-G228 PolarHBondContact N-O 2.94Å; A221-G228 PolarHBondContact O-N 3.06Å; A221-L259 HydrophobicContact CB-CD1 4.4Å
222S92.4Very high90.9Very high87 Ų8762.9 Ų62.961%0.60835%0.347SS*.EExtended strand (participates in β ladder)trans-139.7143.2-179.6-169.90000109.3
223G90.8Very high90.7Very high33 Ų3366 Ų6634%0.3437%0.369SS..EExtended strand (participates in β ladder)trans-175-171.4176.900000111.6I204 L225 G226I204-G223 WeakPolarHBondContact O-CA 3.23Å; G223-L225 PolarHBondContact O-N 2.82Å; G223-L225 VanDerWaalsContact O-N 3.14Å; G223-G226 PolarHBondContact N-O 3.04Å; G223-G226 PolarHBondContact O-N 3.38Å; G223-G226 VanDerWaalsContact O-O 3.06Å
224E88.1Confident90.4Very high206 Ų20670.1 Ų70.196%0.96338%0.384SS*.THydrogen-bonded Turntrans-59.3-30.5-171.1-59.1-172.6164.400114G226E224-G226 VanDerWaalsContact C-N 3.34Å
225L87.3Confident90.3Very high150 Ų15063.3 Ų63.379%0.78536%0.359SS*.THydrogen-bonded Turntrans-82-8.5-179.9-61179.4000113.8G223G223-L225 PolarHBondContact O-N 2.82Å; G223-L225 VanDerWaalsContact O-N 3.14Å
226G91Very high89.6Confident32 Ų3264 Ų6433%0.3337%0.372SS..EExtended strand (participates in β ladder)trans131.6-150.217900000113.6I204 G223 E224I204-G226 VanDerWaalsContact CG2-O 3.31Å; I204-G226 WeakPolarHBondContact CG2-O 3.48Å; G223-G226 PolarHBondContact N-O 3.04Å; G223-G226 PolarHBondContact O-N 3.38Å; G223-G226 VanDerWaalsContact O-O 3.06Å; E224-G226 VanDerWaalsContact C-N 3.34Å
227T93Very high88.1Confident99 Ų9971.4 Ų71.461%0.60741%0.411SS*.EExtended strand (participates in β ladder)trans-126.1135.2179.366.30000112.1A221A221-T227 CarbonylContact O-C 3.58Å; A221-T227 WeakPolarHBondContact O-CA 3.38Å
228G93.8Very high86.6Confident11 Ų1173.8 Ų73.811%0.11343%0.425CS..EExtended strand (participates in β ladder)trans-104.6133.5174.200000109.9S220 A221S220-G228 CarbonylContact C-O 3.59Å; S220-G228 WeakPolarHBondContact CA-O 3.39Å; A221-G228 PolarHBondContact N-O 2.94Å; A221-G228 PolarHBondContact O-N 3.06Å
229N94.1Very high85.1Confident91 Ų9178.1 Ų78.149%0.48745%0.453SS..EExtended strand (participates in β ladder)trans-138.2115.5178.9-72.9-90.9000109.4K218 F219 S220K218-N229 VanDerWaalsContact CE-OD1 3.24Å; K218-N229 WeakPolarHBondContact CE-OD1 3.45Å; K218-N229 PolarHBondContact NZ-OD1 3.03Å; F219-N229 WeakPolarHBondContact O-CA 3.29Å; S220-N229 PolarHBondContact OG-OD1 2.85Å
230V94.3Very high83.9Confident46 Ų4683.2 Ų83.228%0.27948%0.475SS..EExtended strand (participates in β ladder)trans-117.6137.1171.5-174.20000108.4I197 L201 K218 F219I197-V230 HydrophobicContact CD1-CG1 3.87Å; I197-V230 HydrophobicContact CG1-CB 4.47Å; I197-V230 HydrophobicContact CG1-CG1 4.01Å; L201-V230 HydrophobicContact CD2-CG2 4.5Å; K218-V230 WeakPolarHBondContact CA-O 3.47Å; F219-V230 PolarHBondContact N-O 2.65Å; F219-V230 PolarHBondContact O-N 2.81Å
231K92.9Very high82.8Confident93 Ų9389.7 Ų89.740%0.40450%0.503SS..EExtended strand (participates in β ladder)trans-130.1126176.4-172.3-173.2171.4-165.90109.9D215 V217 K218D215-K231 WeakPolarHBondContact O-CE 3.35Å; D215-K231 PolarHBondContact O-NZ 2.9Å; D215-K231 WeakPolarHBondContact OD2-CE 3.45Å; D215-K231 IonicContact OD2-NZ 2.63Å; D215-K231 PolarHBondContact OD2-NZ 2.95Å; V217-K231 WeakPolarHBondContact O-CA 3.47Å; K218-K231 HydrophobicContact CB-CG 4.45Å
232L89.8Confident81.7Confident27 Ų2792.4 Ų92.414%0.14152%0.517CS..EExtended strand (participates in β ladder)trans-105.9114.5172.5-58.2178.4000108.7M189 E193 I197 G216 V217 F219 V245M189-L232 HydrophobicContact CE-CD1 4.28Å; M189-L232 HydrophobicContact SD-CD1 3.91Å; E193-L232 HydrophobicContact CG-CD2 4.5Å; I197-L232 HydrophobicContact CD1-CD1 3.83Å; I197-L232 HydrophobicContact CD1-CD2 4.42Å; I197-L232 HydrophobicContact CD1-CG 4.19Å; G216-L232 CarbonylContact C-O 3.55Å; G216-L232 WeakPolarHBondContact CA-O 3.25Å; V217-L232 HydrophobicContact CG1-CB 3.82Å; V217-L232 HydrophobicContact CG1-CD1 4.47Å; V217-L232 PolarHBondContact N-O 2.81Å; V217-L232 PolarHBondContact O-N 3.1Å; F219-L232 HydrophobicContact CE2-CD1 4.36Å; L232-V245 HydrophobicContact CB-CG1 4.41Å
233S87.4Confident81.1Confident67 Ų6793 Ų9347%0.46951%0.51SS..  trans-74.2156.3168.8-58.10000110.3T235S233-T235 PolarHBondContact O-N 3.3Å; S233-T235 PolarHBondContact O-OG1 2.91Å
234Q82.1Confident80.8Confident112 Ų11292.1 Ų92.152%0.52350%0.5SS..  trans-65.6128.5170-172.3175.612.300109.9V245 I247Q234-V245 WeakPolarHBondContact CA-O 3.38Å; Q234-V245 WeakPolarHBondContact CG-O 3.42Å; Q234-I247 HydrophobicContact CB-CD1 4.31Å
235T78.9Confident80.8Confident63 Ų6382.9 Ų82.939%0.38746%0.457SS..BIsolated β-bridgetrans-120.791.5-176.5-48.70000109.4S233 V238 V245S233-T235 PolarHBondContact O-N 3.3Å; S233-T235 PolarHBondContact O-OG1 2.91Å; T235-V238 HydrophobicContact CG2-CG2 3.43Å; T235-V238 VanDerWaalsContact CG2-CG2 3.43Å; T235-V245 PolarHBondContact N-O 2.65Å
236S63Low80.9Confident114 Ų11478.2 Ų78.280%0.79744%0.435SS*.  trans-87.73.8-175.648.90000114.9
237N56.1Low80.8Confident158 Ų15877.6 Ų77.685%0.84542%0.424SS*.  trans-13355.3-168.7-156.856.3000111.5
238V61.6Low80.7Confident50 Ų5079.4 Ų79.430%0.30343%0.426SS..  trans-117.6133.1177.5-165.50000108.9T235 K240 E243 A244T235-V238 HydrophobicContact CG2-CG2 3.43Å; T235-V238 VanDerWaalsContact CG2-CG2 3.43Å; V238-K240 PolarHBondContact O-N 3.12Å; V238-E243 HydrophobicContact CG1-CB 3.93Å; V238-A244 HydrophobicContact CG2-CB 4.33Å
239D64.4Low80.4Confident178 Ų17881.2 Ų81.295%0.95243%0.431SS*.SBendtrans-65.9-1.6178.6-56.6-59.8000114.2
240K70.4Confident80.1Confident107 Ų10783.4 Ų83.447%0.46544%0.443SS..  trans-135.7119.6176.6-45.1-167.1-149.789.80110.2V238 D242 E243V238-K240 PolarHBondContact O-N 3.12Å; K240-D242 PolarHBondContact O-N 2.7Å; K240-E243 HydrophobicContact CB-CB 4.43Å; K240-E243 IonicContact NZ-OE1 2.81Å; K240-E243 PolarHBondContact NZ-OE1 2.8Å; K240-E243 IonicContact NZ-OE2 3.24Å; K240-E243 PolarHBondContact NZ-OE2 3.04Å; K240-E243 PolarHBondContact O-N 2.69Å; K240-E243 VanDerWaalsContact O-N 3.08Å
241E72.6Confident79.9Confident153 Ų15386.8 Ų86.872%0.71546%0.456SS*.G310 helixtrans-62.2-24.4175.6-61.8-176.2-173.500113.5E243 A244E241-E243 PolarHBondContact O-N 3.35Å; E241-A244 PolarHBondContact O-N 3.05Å
242D72.6Confident79.8Confident63 Ų6387.3 Ų87.334%0.33747%0.469SS..G310 helixtrans-65.4-22.9175.1-71.6-40000113.7K240 K273K240-D242 PolarHBondContact O-N 2.7Å; D242-K273 HydrophobicContact CB-CB 4.41Å; D242-K273 HydrophobicContact CB-CD 3.94Å; D242-K273 WeakPolarHBondContact OD1-CD 3.33Å; D242-K273 WeakPolarHBondContact OD2-CD 3.4Å; D242-K273 IonicContact OD2-NZ 2.71Å; D242-K273 PolarHBondContact OD2-NZ 2.68Å
243E79.8Confident79.9Confident100 Ų10086.5 Ų86.547%0.46747%0.465SS..G310 helixtrans-106.3-3.5-177.1-72.7168-167.900112.3V238 K240 E241V238-E243 HydrophobicContact CG1-CB 3.93Å; K240-E243 HydrophobicContact CB-CB 4.43Å; K240-E243 IonicContact NZ-OE1 2.81Å; K240-E243 PolarHBondContact NZ-OE1 2.8Å; K240-E243 IonicContact NZ-OE2 3.24Å; K240-E243 PolarHBondContact NZ-OE2 3.04Å; K240-E243 PolarHBondContact O-N 2.69Å; K240-E243 VanDerWaalsContact O-N 3.08Å; E241-E243 PolarHBondContact O-N 3.35Å
244A84.3Confident80.1Confident15 Ų1589.2 Ų89.212%0.12447%0.47CS..  trans-79.3153.1-179.900000112.6V238 E241V238-A244 HydrophobicContact CG2-CB 4.33Å; E241-A244 PolarHBondContact O-N 3.05Å
245V87.1Confident80.6Confident12 Ų1285.1 Ų85.17%0.07345%0.452CS..BIsolated β-bridgetrans-113.4113.3169.6178.50000107.7M189 L232 Q234 T235 I247M189-V245 HydrophobicContact CB-CG1 4.48Å; M189-V245 HydrophobicContact CB-CG2 4.19Å; L232-V245 HydrophobicContact CB-CG1 4.41Å; Q234-V245 WeakPolarHBondContact CA-O 3.38Å; Q234-V245 WeakPolarHBondContact CG-O 3.42Å; T235-V245 PolarHBondContact N-O 2.65Å; V245-I247 HydrophobicContact CG1-CG1 4.34Å
246T89.6Confident81.4Confident51 Ų5183.5 Ų83.531%0.31344%0.44SS..EExtended strand (participates in β ladder)trans-112.9127.8179.148.10000109.7K188K188-T246 WeakPolarHBondContact CB-OG1 3.49Å; K188-T246 PolarHBondContact N-O 2.77Å; K188-T246 PolarHBondContact O-N 3.07Å
247I89.8Confident82.9Confident19 Ų1978 Ų7810%0.09740%0.402CS..EExtended strand (participates in β ladder)trans-121.6118.7-178.6-60.8172000107.2V187 V217 Q234 V245 M249V187-I247 HydrophobicContact CG1-CG1 4.02Å; V187-I247 HydrophobicContact CG2-CG1 4.29Å; V187-I247 HydrophobicContact CG2-CG2 4.37Å; V217-I247 HydrophobicContact CB-CD1 4.39Å; V217-I247 HydrophobicContact CG1-CD1 4.46Å; Q234-I247 HydrophobicContact CB-CD1 4.31Å; V245-I247 HydrophobicContact CG1-CG1 4.34Å; I247-M249 HydrophobicContact CG2-CB 4.16Å
248E89.9Confident84.8Confident138 Ų13871.4 Ų71.465%0.64537%0.37SS*.EExtended strand (participates in β ladder)trans-108.8111.7170.7-69.6172.8-158.500106.6C185 V186C185-E248 CarbonylContact C-O 3.6Å; C185-E248 WeakPolarHBondContact CA-O 3.36Å; V186-E248 HydrophobicContact CB-CB 4.46Å; V186-E248 PolarHBondContact N-O 2.79Å; V186-E248 PolarHBondContact O-N 2.85Å
249M88.4Confident86.3Confident48 Ų4869.1 Ų69.124%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-133.5113.6-171.9-174.2-164.87400110.4C185 A213 K214 I247 E251 P252C185-M249 HydrophobicContact CB-CB 4.46Å; C185-M249 HydrophobicContact CB-CG 4.13Å; A213-M249 VanDerWaalsContact CA-SD 3.57Å; K214-M249 HydrophobicContact CB-CE 4.47Å; K214-M249 HydrophobicContact CG-CE 3.57Å; I247-M249 HydrophobicContact CG2-CB 4.16Å; M249-E251 WeakPolarHBondContact CG-O 3.37Å; M249-P252 HydrophobicContact SD-CB 4.47Å
250N88.1Confident87.7Confident137 Ų13765.1 Ų65.173%0.73333%0.334SS*.SBendtrans-81.4-47.9170.9-61.7-45.6000110S184S184-N250 PolarHBondContact O-N 2.75Å
251E88.9Confident88.9Confident118 Ų11861.3 Ų61.355%0.55132%0.317SS*.SBendtrans-134.5148.8-179.6-57.3-176.3136.900110.8S184 M249S184-E251 PolarHBondContact O-N 2.71Å; M249-E251 WeakPolarHBondContact CG-O 3.37Å
252P90.3Very high90Very high103 Ų10354 Ų5467%0.66928%0.283SS*.  trans-70.1132.6176.130.3-34.2000110.6C212 M249C212-P252 WeakPolarHBondContact O-CA 3.31Å; M249-P252 HydrophobicContact SD-CB 4.47Å
253V91.6Very high91.1Very high10 Ų1052.8 Ų52.86%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-122.3138.6-178.7-179.80000109.4C185 S211 C212 L255 M279C185-V253 HydrophobicContact CB-CG2 4.28Å; S211-V253 CarbonylContact C-O 3.57Å; S211-V253 WeakPolarHBondContact CA-O 3.24Å; C212-V253 PolarHBondContact N-O 3.26Å; C212-V253 PolarHBondContact O-N 2.78Å; V253-L255 HydrophobicContact CG1-CD1 3.65Å; V253-L255 HydrophobicContact CG1-CG 3.78Å; V253-M279 HydrophobicContact CG1-CB 4.19Å
254Q92.5Very high91.8Very high124 Ų12450.4 Ų50.458%0.57927%0.265SS*.EExtended strand (participates in β ladder)trans-138.4114.2174.7-179.7175.3-20.300109.1M209 I210M209-Q254 HydrophobicContact CG-CG 4.04Å; M209-Q254 HydrophobicContact SD-CG 4.2Å; M209-Q254 PolarHBondContact SD-NE2 2.67Å; I210-Q254 WeakPolarHBondContact O-CA 3.46Å
255L93.8Very high92.3Very high26 Ų2649.7 Ų49.714%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-140150.9-173.8-67.6171000110.8M209 I210 V253 F257 S280 P303M209-L255 CarbonylContact C-O 3.57Å; M209-L255 WeakPolarHBondContact CA-O 3.45Å; I210-L255 PolarHBondContact N-O 2.98Å; I210-L255 PolarHBondContact O-N 3.22Å; V253-L255 HydrophobicContact CG1-CD1 3.65Å; V253-L255 HydrophobicContact CG1-CG 3.78Å; L255-F257 HydrophobicContact CB-CD2 4.43Å; L255-F257 HydrophobicContact CB-CE2 3.47Å; L255-F257 VanDerWaalsContact CB-CE2 3.47Å; L255-F257 HydrophobicContact CB-CZ 3.49Å; L255-F257 VanDerWaalsContact CB-CZ 3.49Å; L255-F257 HydrophobicContact CD1-CE2 4.41Å; L255-F257 HydrophobicContact CD1-CZ 3.79Å; L255-F257 HydrophobicContact CG-CZ 4.29Å; L255-S280 WeakPolarHBondContact CD1-O 3.14Å; L255-P303 HydrophobicContact CB-CB 4.46Å; L255-P303 HydrophobicContact CD2-CB 4.15Å
256I94.8Very high92.8Very high29 Ų2949.9 Ų49.915%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-107.9133.5-179.1-56.7177000109.3A207 V208 M209 P303 K304 D306A207-I256 HydrophobicContact CB-CG2 3.9Å; V208-I256 WeakPolarHBondContact O-CA 3.48Å; M209-I256 HydrophobicContact CB-CG1 4.18Å; M209-I256 HydrophobicContact CE-CD1 3.82Å; M209-I256 HydrophobicContact CE-CG1 4.01Å; M209-I256 HydrophobicContact CG-CG1 4.3Å; I256-P303 CarbonylContact O-C 3.54Å; I256-P303 WeakPolarHBondContact O-CA 3.4Å; I256-K304 HydrophobicContact CB-CB 4.29Å; I256-K304 HydrophobicContact CG2-CB 4.16Å; I256-K304 HydrophobicContact CG2-CD 4.36Å; I256-K304 PolarHBondContact O-N 2.86Å; I256-D306 HydrophobicContact CD1-CB 4.4Å; I256-D306 VanDerWaalsContact CD1-OD2 3.24Å; I256-D306 WeakPolarHBondContact CD1-OD2 3.43Å
257F95.1Very high93Very high0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-130.9149.2-179.4-59.6-76.6000111.8A207 V208 I210 L255 L259 L262 L285 L301 P303A207-F257 CarbonylContact C-O 3.58Å; A207-F257 VanDerWaalsContact CA-O 3.24Å; A207-F257 WeakPolarHBondContact CA-O 3.37Å; V208-F257 PolarHBondContact N-O 2.78Å; V208-F257 PolarHBondContact O-N 3.35Å; I210-F257 HydrophobicContact CB-CD2 4.48Å; I210-F257 HydrophobicContact CB-CE2 4.43Å; I210-F257 HydrophobicContact CD1-CD2 3.67Å; I210-F257 HydrophobicContact CD1-CE2 4.05Å; I210-F257 HydrophobicContact CG1-CD2 3.97Å; I210-F257 HydrophobicContact CG1-CE2 4.36Å; L255-F257 HydrophobicContact CB-CD2 4.43Å; L255-F257 HydrophobicContact CB-CE2 3.47Å; L255-F257 VanDerWaalsContact CB-CE2 3.47Å; L255-F257 HydrophobicContact CB-CZ 3.49Å; L255-F257 VanDerWaalsContact CB-CZ 3.49Å; L255-F257 HydrophobicContact CD1-CE2 4.41Å; L255-F257 HydrophobicContact CD1-CZ 3.79Å; L255-F257 HydrophobicContact CG-CZ 4.29Å; F257-L259 PolarHBondContact O-N 3.5Å; F257-L262 HydrophobicContact CB-CD1 4.23Å; F257-L285 HydrophobicContact CD1-CB 4.08Å; F257-L285 HydrophobicContact CD1-CD2 4.14Å; F257-L285 HydrophobicContact CD2-CD2 4Å; F257-L285 HydrophobicContact CE1-CB 3.4Å; F257-L285 HydrophobicContact CE1-CD2 4.19Å; F257-L285 HydrophobicContact CE1-CG 4.44Å; F257-L285 HydrophobicContact CE2-CB 4.15Å; F257-L285 HydrophobicContact CE2-CD2 4.02Å; F257-L285 HydrophobicContact CG-CD2 4.05Å; F257-L285 HydrophobicContact CZ-CB 3.45Å; F257-L285 VanDerWaalsContact CZ-CB 3.45Å; F257-L285 HydrophobicContact CZ-CD2 4.14Å; F257-L285 HydrophobicContact CZ-CG 4.35Å; F257-L301 HydrophobicContact CB-CD2 4.03Å; F257-L301 HydrophobicContact CD1-CD2 4.13Å; F257-L301 HydrophobicContact CD1-CG 4.19Å; F257-L301 HydrophobicContact CG-CD2 4.43Å; F257-P303 HydrophobicContact CD1-CB 4.38Å; F257-P303 HydrophobicContact CE1-CB 3.77Å; F257-P303 HydrophobicContact CZ-CB 4.25Å
258A94.9Very high93.3Very high19 Ų1949.8 Ų49.816%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-71.9119.6174.600000110.9N260 Y261A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.41Å; A258-Y261 HydrophobicContact CB-CD2 3.98Å; A258-Y261 PolarHBondContact O-N 3.38Å
259L94.6Very high93.5Very high2 Ų244.6 Ų44.61%0.0123%0.232CC..Hα-helixtrans-65.3-28-175.5-91165.1000113.2C198 L201 G205 D206 V208 A221 F257 Y261 L262 N263C198-L259 HydrophobicContact CB-CD2 4.25Å; L201-L259 HydrophobicContact CB-CD1 4.02Å; G205-L259 VanDerWaalsContact O-CD1 3.23Å; G205-L259 WeakPolarHBondContact O-CD1 3.24Å; D206-L259 PolarHBondContact O-N 3.06Å; V208-L259 HydrophobicContact CB-CD1 3.99Å; V208-L259 HydrophobicContact CB-CD2 3.88Å; V208-L259 HydrophobicContact CB-CG 3.79Å; V208-L259 HydrophobicContact CG1-CD2 3.69Å; V208-L259 HydrophobicContact CG1-CG 3.81Å; A221-L259 HydrophobicContact CB-CD1 4.4Å; F257-L259 PolarHBondContact O-N 3.5Å; L259-Y261 PolarHBondContact O-N 2.89Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 PolarHBondContact O-N 2.7Å; L259-N263 PolarHBondContact O-N 3.19Å; L259-N263 PolarHBondContact O-ND2 3.42Å; L259-N263 VanDerWaalsContact O-ND2 3.14Å
260N93.8Very high93.8Very high94 Ų9445.9 Ų45.950%0.50324%0.244SC..Hα-helixtrans-57.3-46.9176.7-16730.1000112.4A258 N263 F264A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.41Å; N260-N263 WeakPolarHBondContact O-CB 3.46Å; N260-N263 PolarHBondContact O-N 3.11Å; N260-F264 WeakPolarHBondContact O-CG 3.44Å; N260-F264 PolarHBondContact O-N 2.89Å; N260-F264 VanDerWaalsContact O-N 3.14Å; N260-F264 WeakPolarHBondContact OD1-CZ 3.41Å
261Y95.3Very high94Very high27 Ų2740.4 Ų40.411%0.10622%0.215CC..Hα-helixtrans-65.4-41.8176.4-75.5-85.5000112.1L72 D91 S93 V95 A258 L259 N263 F264 F265 L301L72-Y261 HydrophobicContact CD1-CD1 3.84Å; L72-Y261 HydrophobicContact CD1-CE1 3.98Å; D91-Y261 HydrophobicContact CB-CE1 4.17Å; D91-Y261 WeakPolarHBondContact OD2-CE1 3.47Å; D91-Y261 PolarHBondContact OD2-OH 3.26Å; S93-Y261 WeakPolarHBondContact CB-OH 3.45Å; S93-Y261 PolarHBondContact OG-OH 2.61Å; V95-Y261 HydrophobicContact CB-CE2 4.46Å; V95-Y261 HydrophobicContact CG1-CE2 4.24Å; A258-Y261 HydrophobicContact CB-CD2 3.98Å; A258-Y261 PolarHBondContact O-N 3.38Å; L259-Y261 PolarHBondContact O-N 2.89Å; Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 PolarHBondContact O-N 2.84Å; Y261-F264 HydrophobicContact CD1-CD2 4.49Å; Y261-F264 WeakPolarHBondContact O-CA 3.33Å; Y261-F264 WeakPolarHBondContact O-CB 3.3Å; Y261-F264 PolarHBondContact O-N 3.02Å; Y261-F265 WeakPolarHBondContact O-CD1 3.27Å; Y261-F265 VanDerWaalsContact O-CG 3.3Å; Y261-F265 WeakPolarHBondContact O-CG 3.42Å; Y261-F265 PolarHBondContact O-N 3.49Å; Y261-L301 HydrophobicContact CD1-CD1 4.19Å; Y261-L301 HydrophobicContact CD2-CD1 4.04Å; Y261-L301 HydrophobicContact CG-CD1 3.73Å
262L95.3Very high94.2Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-61.4-39.5175.8-59.2-178.7000111.6F194 C198 V208 F257 L259 F264 F265 T266 L285 L301F194-L262 HydrophobicContact CZ-CD2 4.46Å; C198-L262 HydrophobicContact CB-CB 4.5Å; V208-L262 HydrophobicContact CG1-CD1 3.44Å; V208-L262 VanDerWaalsContact CG1-CD1 3.44Å; F257-L262 HydrophobicContact CB-CD1 4.23Å; L259-L262 HydrophobicContact CD2-CD1 4.32Å; L259-L262 PolarHBondContact O-N 2.7Å; L262-F264 VanDerWaalsContact C-N 3.27Å; L262-F264 PolarHBondContact O-N 2.75Å; L262-F265 HydrophobicContact CD2-CD2 3.82Å; L262-F265 HydrophobicContact CD2-CE2 3.93Å; L262-F265 PolarHBondContact O-N 2.89Å; L262-F265 VanDerWaalsContact O-N 3.15Å; L262-T266 VanDerWaalsContact O-CG2 3.25Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.34Å; L262-L285 HydrophobicContact CD2-CD2 3.9Å; L262-L301 HydrophobicContact CD2-CD2 3.74Å; L262-L301 HydrophobicContact CG-CD2 4.17Å
263N95.2Very high94.4Very high37 Ų3737.5 Ų37.520%0.19819%0.192CC..Hα-helixtrans-61.9-32.4172.4-71.1-41.6000112.6C198 S202 L259 N260 Y261 T266C198-N263 WeakPolarHBondContact CB-OD1 3.37Å; S202-N263 PolarHBondContact OG-ND2 2.83Å; L259-N263 PolarHBondContact O-N 3.19Å; L259-N263 PolarHBondContact O-ND2 3.42Å; L259-N263 VanDerWaalsContact O-ND2 3.14Å; N260-N263 WeakPolarHBondContact O-CB 3.46Å; N260-N263 PolarHBondContact O-N 3.11Å; Y261-N263 VanDerWaalsContact C-N 3.3Å; Y261-N263 PolarHBondContact O-N 2.84Å; N263-T266 PolarHBondContact O-OG1 3.45Å
264F94.8Very high94.6Very high50 Ų5038 Ų3822%0.21920%0.195CC..Hα-helixtrans-68-45.5171-57.6-22.7000111.4L72 N260 Y261 L262 T266 K267L72-F264 HydrophobicContact CD1-CD2 4.12Å; N260-F264 WeakPolarHBondContact O-CG 3.44Å; N260-F264 PolarHBondContact O-N 2.89Å; N260-F264 VanDerWaalsContact O-N 3.14Å; N260-F264 WeakPolarHBondContact OD1-CZ 3.41Å; Y261-F264 HydrophobicContact CD1-CD2 4.49Å; Y261-F264 WeakPolarHBondContact O-CA 3.33Å; Y261-F264 WeakPolarHBondContact O-CB 3.3Å; Y261-F264 PolarHBondContact O-N 3.02Å; L262-F264 VanDerWaalsContact C-N 3.27Å; L262-F264 PolarHBondContact O-N 2.75Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.37Å; F264-K267 VanDerWaalsContact O-CB 3.25Å; F264-K267 WeakPolarHBondContact O-CB 3.24Å; F264-K267 WeakPolarHBondContact O-CG 3.39Å; F264-K267 PolarHBondContact O-N 2.87Å; F264-K267 VanDerWaalsContact O-N 3.09Å
265F95.8Very high94.7Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-63.1-34.1179.9-51.1-18.6000112.4L72 S96 Y261 L262 K267 A268 V287 Y289 Y299 L301L72-F265 HydrophobicContact CD1-CE1 4.39Å; L72-F265 HydrophobicContact CD2-CE1 4.14Å; S96-F265 WeakPolarHBondContact OG-CE1 3.34Å; S96-F265 VanDerWaalsContact OG-CZ 3.29Å; S96-F265 WeakPolarHBondContact OG-CZ 2.88Å; Y261-F265 WeakPolarHBondContact O-CD1 3.27Å; Y261-F265 VanDerWaalsContact O-CG 3.3Å; Y261-F265 WeakPolarHBondContact O-CG 3.42Å; Y261-F265 PolarHBondContact O-N 3.49Å; L262-F265 HydrophobicContact CD2-CD2 3.82Å; L262-F265 HydrophobicContact CD2-CE2 3.93Å; L262-F265 PolarHBondContact O-N 2.89Å; L262-F265 VanDerWaalsContact O-N 3.15Å; F265-K267 PolarHBondContact O-N 2.87Å; F265-K267 VanDerWaalsContact O-N 3.07Å; F265-A268 VanDerWaalsContact O-CB 3.3Å; F265-A268 WeakPolarHBondContact O-CB 3.45Å; F265-A268 PolarHBondContact O-N 2.94Å; F265-V287 HydrophobicContact CD2-CB 4.23Å; F265-V287 HydrophobicContact CD2-CG2 3.9Å; F265-V287 HydrophobicContact CE2-CG2 4.33Å; F265-Y289 WeakPolarHBondContact O-CE2 3.46Å; F265-Y289 PolarHBondContact O-OH 2.84Å; F265-Y299 HydrophobicContact CB-CD1 4.45Å; F265-Y299 HydrophobicContact CB-CD2 3.78Å; F265-Y299 HydrophobicContact CB-CE2 4.06Å; F265-Y299 HydrophobicContact CB-CG 3.99Å; F265-Y299 AromaticContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD2 4.07Å; F265-Y299 AromaticContact CD1-CE1 3.81Å; F265-Y299 HydrophobicContact CD1-CE1 3.81Å; F265-Y299 AromaticContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD2-CG 4.19Å; F265-Y299 AromaticContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CE1 4.49Å; F265-Y299 AromaticContact CE1-CG 3.86Å; F265-Y299 HydrophobicContact CE1-CG 3.86Å; F265-Y299 AromaticContact CG-CD1 3.94Å; F265-Y299 HydrophobicContact CG-CD1 3.94Å; F265-Y299 AromaticContact CG-CD2 3.91Å; F265-Y299 HydrophobicContact CG-CD2 3.91Å; F265-Y299 AromaticContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CZ-CG 4.45Å; F265-L301 HydrophobicContact CE2-CB 3.81Å; F265-L301 HydrophobicContact CE2-CD2 3.9Å; F265-L301 HydrophobicContact CE2-CG 4.36Å; F265-L301 HydrophobicContact CZ-CB 3.94Å; F265-L301 HydrophobicContact CZ-CD1 4.35Å; F265-L301 HydrophobicContact CZ-CD2 4.26Å; F265-L301 HydrophobicContact CZ-CG 4.41Å
266T95.8Very high94.9Very high15 Ų1532 Ų329%0.09217%0.169CC..G310 helixtrans-65.8-8177650000114.3F194 A195 C198 L262 N263 F264 A268 T269F194-T266 HydrophobicContact CD1-CG2 3.76Å; F194-T266 HydrophobicContact CE1-CG2 3.79Å; A195-T266 HydrophobicContact CB-CG2 3.9Å; C198-T266 HydrophobicContact CB-CG2 4.2Å; L262-T266 VanDerWaalsContact O-CG2 3.25Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.34Å; N263-T266 PolarHBondContact O-OG1 3.45Å; F264-T266 VanDerWaalsContact C-N 3.28Å; F264-T266 PolarHBondContact O-N 3.37Å; T266-A268 PolarHBondContact O-N 2.86Å; T266-T269 VanDerWaalsContact O-CB 3.26Å; T266-T269 WeakPolarHBondContact O-CB 3.05Å; T266-T269 PolarHBondContact O-N 2.95Å; T266-T269 VanDerWaalsContact O-N 3.16Å; T266-T269 PolarHBondContact O-OG1 3.12Å; T266-T269 VanDerWaalsContact O-OG1 3.14Å
267K94.6Very high94.9Very high68 Ų6830.7 Ų30.730%0.29616%0.161SC..G310 helixtrans-67.8-16.6168.5-61.4171.7-174175.70112.3A68 D71 F264 F265 P270A68-K267 HydrophobicContact CB-CB 4.4Å; D71-K267 HydrophobicContact CB-CD 4.39Å; D71-K267 VanDerWaalsContact CG-NZ 3.31Å; D71-K267 WeakPolarHBondContact OD2-CD 3.26Å; D71-K267 WeakPolarHBondContact OD2-CE 3.38Å; D71-K267 IonicContact OD2-NZ 2.67Å; D71-K267 PolarHBondContact OD2-NZ 3.36Å; F264-K267 VanDerWaalsContact O-CB 3.25Å; F264-K267 WeakPolarHBondContact O-CB 3.24Å; F264-K267 WeakPolarHBondContact O-CG 3.39Å; F264-K267 PolarHBondContact O-N 2.87Å; F264-K267 VanDerWaalsContact O-N 3.09Å; F265-K267 PolarHBondContact O-N 2.87Å; F265-K267 VanDerWaalsContact O-N 3.07Å; K267-P270 WeakPolarHBondContact O-CD 3.24Å
268A95.1Very high94.9Very high0 Ų031.4 Ų31.40%017%0.167CC..G310 helixtrans-78-10.8171.100000114.4A68 F265 T266 P270 L271 Y289 Y299A68-A268 HydrophobicContact CB-CB 4Å; F265-A268 VanDerWaalsContact O-CB 3.3Å; F265-A268 WeakPolarHBondContact O-CB 3.45Å; F265-A268 PolarHBondContact O-N 2.94Å; T266-A268 PolarHBondContact O-N 2.86Å; A268-P270 VanDerWaalsContact C-N 3.27Å; A268-P270 VanDerWaalsContact O-N 3.09Å; A268-L271 HydrophobicContact CB-CD1 4.09Å; A268-L271 VanDerWaalsContact O-CB 3.26Å; A268-L271 WeakPolarHBondContact O-CB 3.43Å; A268-L271 PolarHBondContact O-N 3.35Å; A268-Y289 HydrophobicContact CB-CD1 3.9Å; A268-Y289 HydrophobicContact CB-CD2 3.53Å; A268-Y289 HydrophobicContact CB-CE1 4.13Å; A268-Y289 HydrophobicContact CB-CE2 3.78Å; A268-Y289 HydrophobicContact CB-CG 3.59Å; A268-Y299 HydrophobicContact CB-CE2 3.95Å
269T95.3Very high94.8Very high30 Ų3030.6 Ų30.618%0.18416%0.16CC..THydrogen-bonded Turntrans-49.4-34178.5-720000115.3S191 A195 T266 L271S191-T269 PolarHBondContact O-OG1 2.95Å; S191-T269 VanDerWaalsContact O-OG1 3.1Å; A195-T269 HydrophobicContact CB-CG2 4.35Å; T266-T269 VanDerWaalsContact O-CB 3.26Å; T266-T269 WeakPolarHBondContact O-CB 3.05Å; T266-T269 PolarHBondContact O-N 2.95Å; T266-T269 VanDerWaalsContact O-N 3.16Å; T266-T269 PolarHBondContact O-OG1 3.12Å; T266-T269 VanDerWaalsContact O-OG1 3.14Å; T269-L271 PolarHBondContact O-N 3.14Å
270P93.9Very high94.7Very high74 Ų7431.2 Ų31.248%0.48116%0.164SC..THydrogen-bonded Turntrans-68.9-10.8173.9-21.835.6000115.9K64 K267 A268K64-P270 HydrophobicContact CD-CB 4.15Å; K64-P270 WeakPolarHBondContact CD-O 3.36Å; K64-P270 VanDerWaalsContact CE-O 3.28Å; K64-P270 WeakPolarHBondContact CE-O 3.33Å; K64-P270 HydrophobicContact CG-CB 4.16Å; K64-P270 PolarHBondContact NZ-O 2.89Å; K267-P270 WeakPolarHBondContact O-CD 3.24Å; A268-P270 VanDerWaalsContact C-N 3.27Å; A268-P270 VanDerWaalsContact O-N 3.09Å
271L92.5Very high94.3Very high23 Ų2329.4 Ų29.412%0.1216%0.162CC..THydrogen-bonded Turntrans-83.8-35.1177.4-65.9165000112.5I61 K64 V65 A68 A268 T269 I291 I297I61-L271 HydrophobicContact CG2-CD2 4.27Å; K64-L271 HydrophobicContact CB-CD2 3.43Å; K64-L271 VanDerWaalsContact CB-CD2 3.43Å; K64-L271 HydrophobicContact CB-CG 3.96Å; K64-L271 HydrophobicContact CD-CD2 4.11Å; K64-L271 HydrophobicContact CG-CD2 4.45Å; V65-L271 HydrophobicContact CG2-CD1 4.21Å; V65-L271 HydrophobicContact CG2-CD2 3.8Å; A68-L271 HydrophobicContact CB-CD1 4.47Å; A268-L271 HydrophobicContact CB-CD1 4.09Å; A268-L271 VanDerWaalsContact O-CB 3.26Å; A268-L271 WeakPolarHBondContact O-CB 3.43Å; A268-L271 PolarHBondContact O-N 3.35Å; T269-L271 PolarHBondContact O-N 3.14Å; L271-I291 HydrophobicContact CD1-CG1 4.37Å; L271-I291 HydrophobicContact CD2-CG1 4.45Å; L271-I291 HydrophobicContact CD2-CG2 4.36Å; L271-I297 HydrophobicContact CD1-CD1 3.48Å; L271-I297 VanDerWaalsContact CD1-CD1 3.48Å; L271-I297 HydrophobicContact CD1-CG1 4.14Å
272S94.3Very high93.7Very high20 Ų2035.9 Ų35.914%0.1420%0.199CC..  trans-143.3136.9-172.8-145.60000111.5S191 T274 K290S191-S272 WeakPolarHBondContact CB-O 3.45Å; S191-S272 PolarHBondContact OG-O 3.22Å; S272-T274 WeakPolarHBondContact CB-O 3.34Å; S272-T274 PolarHBondContact O-N 2.82Å; S272-T274 PolarHBondContact OG-O 3.29Å; S272-K290 WeakPolarHBondContact CB-O 3.39Å; S272-K290 PolarHBondContact OG-O 2.72Å
273K93.7Very high93.4Very high140 Ų14037.2 Ų37.261%0.60921%0.205SC*.SBendtrans-69.4-22.9176.5-61.1176.7-172.3176.20113.2P190 S191 D242P190-K273 WeakPolarHBondContact CA-O 3.24Å; S191-K273 PolarHBondContact N-O 3.41Å; S191-K273 PolarHBondContact OG-O 3.15Å; S191-K273 VanDerWaalsContact OG-O 3.06Å; D242-K273 HydrophobicContact CB-CB 4.41Å; D242-K273 HydrophobicContact CB-CD 3.94Å; D242-K273 WeakPolarHBondContact OD1-CD 3.33Å; D242-K273 WeakPolarHBondContact OD2-CD 3.4Å; D242-K273 IonicContact OD2-NZ 2.71Å; D242-K273 PolarHBondContact OD2-NZ 2.68Å
274T94.8Very high93.2Very high20 Ų2037.9 Ų37.912%0.12321%0.212CC..EExtended strand (participates in β ladder)trans-122.2148.4179.458.60000110.3M189 S272M189-T274 CarbonylContact O-C 3.53Å; M189-T274 VanDerWaalsContact O-CA 3.24Å; M189-T274 WeakPolarHBondContact O-CA 3.34Å; M189-T274 WeakPolarHBondContact O-CB 3.45Å; S272-T274 WeakPolarHBondContact CB-O 3.34Å; S272-T274 PolarHBondContact O-N 2.82Å; S272-T274 PolarHBondContact OG-O 3.29Å
275V96.6Very high93.2Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-118145.2171.764.30000108.2K188 M189 F194 L277 V287 Y289K188-V275 WeakPolarHBondContact CA-O 3.3Å; M189-V275 HydrophobicContact CG-CG1 3.68Å; M189-V275 PolarHBondContact N-O 3.49Å; M189-V275 PolarHBondContact O-N 3.37Å; F194-V275 HydrophobicContact CB-CG1 3.7Å; F194-V275 HydrophobicContact CD1-CG1 4.03Å; F194-V275 HydrophobicContact CD1-CG2 4.4Å; F194-V275 HydrophobicContact CG-CG1 3.9Å; V275-L277 HydrophobicContact CG2-CD2 4.18Å; V275-V287 HydrophobicContact CG2-CG1 3.51Å; V275-Y289 HydrophobicContact CB-CD1 4.23Å; V275-Y289 HydrophobicContact CB-CE1 3.84Å; V275-Y289 HydrophobicContact CG2-CD1 4.19Å; V275-Y289 HydrophobicContact CG2-CD2 4.23Å; V275-Y289 HydrophobicContact CG2-CE1 3.76Å; V275-Y289 HydrophobicContact CG2-CE2 3.81Å; V275-Y289 HydrophobicContact CG2-CG 4.41Å
276T96.4Very high93.2Very high25 Ų2535.7 Ų35.715%0.15320%0.203CC..EExtended strand (participates in β ladder)trans-114.4128.4173.5-48.70000109.5V186 V187 K188 V287 E288V186-T276 HydrophobicContact CG1-CG2 3.57Å; V187-T276 CarbonylContact O-C 3.58Å; V187-T276 WeakPolarHBondContact O-CA 3.26Å; K188-T276 HydrophobicContact CB-CG2 4.45Å; T276-V287 CarbonylContact O-C 3.59Å; T276-V287 WeakPolarHBondContact O-CA 3.38Å; T276-E288 PolarHBondContact N-O 3.44Å; T276-E288 PolarHBondContact O-N 2.96Å
277L95.8Very high93.3Very high0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-109.7113.4177-51.7180000108.3V186 V187 M189 F194 F219 V275 L285 V286 V287V186-L277 CarbonylContact C-O 3.59Å; V186-L277 WeakPolarHBondContact CA-O 3.19Å; V187-L277 HydrophobicContact CB-CB 4.44Å; V187-L277 PolarHBondContact N-O 2.93Å; V187-L277 PolarHBondContact O-N 2.67Å; M189-L277 HydrophobicContact CE-CD1 3.7Å; M189-L277 HydrophobicContact CE-CG 4.46Å; M189-L277 HydrophobicContact SD-CD1 4.43Å; F194-L277 HydrophobicContact CD2-CD1 4.05Å; F194-L277 HydrophobicContact CD2-CD2 4.47Å; F194-L277 HydrophobicContact CE1-CD2 4.33Å; F194-L277 HydrophobicContact CE2-CD1 3.74Å; F194-L277 HydrophobicContact CE2-CD2 3.91Å; F194-L277 HydrophobicContact CE2-CG 4.45Å; F194-L277 HydrophobicContact CZ-CD1 4.48Å; F194-L277 HydrophobicContact CZ-CD2 3.83Å; F219-L277 HydrophobicContact CE1-CD1 4.41Å; F219-L277 HydrophobicContact CZ-CD1 4.08Å; V275-L277 HydrophobicContact CG2-CD2 4.18Å; L277-L285 HydrophobicContact CB-CD1 4.14Å; L277-V286 CarbonylContact C-O 3.59Å; L277-V286 WeakPolarHBondContact CA-O 3.37Å; L277-V287 HydrophobicContact CD2-CB 4.25Å; L277-V287 HydrophobicContact CD2-CG1 3.83Å; L277-V287 HydrophobicContact CD2-CG2 3.85Å
278S94.9Very high93.4Very high16 Ų1633.5 Ų33.511%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-108127.1177-50.90000109.9V286S278-V286 PolarHBondContact N-O 2.79Å; S278-V286 PolarHBondContact O-N 3.38Å
279M93.4Very high93.5Very high1 Ų133.5 Ų33.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-138.1141.1-168.4-64.4175.7-70.500111.2S184 C185 V187 I210 C212 V253 L285S184-M279 PolarHBondContact N-O 3.38Å; S184-M279 VanDerWaalsContact N-O 3.09Å; C185-M279 PolarHBondContact N-O 3.36Å; C185-M279 PolarHBondContact O-N 2.82Å; V187-M279 HydrophobicContact CG2-CE 4Å; I210-M279 HydrophobicContact CB-SD 4.33Å; I210-M279 HydrophobicContact CG2-CE 4.22Å; I210-M279 HydrophobicContact CG2-SD 3.74Å; C212-M279 HydrophobicContact CB-CE 4.19Å; V253-M279 HydrophobicContact CG1-CB 4.19Å; M279-L285 HydrophobicContact CG-CD1 3.58Å; M279-L285 HydrophobicContact SD-CD1 4.25Å
280S91.5Very high93.5Very high15 Ų1537.5 Ų37.511%0.10521%0.207CC..  trans-149.4159.8170.9-1770000108.6S184 L255S184-S280 PolarHBondContact OG-OG 3.26Å; L255-S280 WeakPolarHBondContact CD1-O 3.14Å
281A86Confident93.4Very high56 Ų5634.1 Ų34.146%0.46319%0.185SC..THydrogen-bonded Turntrans-57.9148.9164.900000110.3I283A281-I283 PolarHBondContact O-N 3.47Å
282D82.8Confident93Very high163 Ų16336.1 Ų36.187%0.87221%0.205SC*.THydrogen-bonded Turntrans56.410.6175.1-50.3-37.5000116.9
283I88.7Confident92.5Very high28 Ų2842.1 Ų42.114%0.14424%0.236CC..SBendtrans-124.1139.9-178.4-64.6175.1000109.5Q181 Y183 A281Q181-I283 HydrophobicContact CB-CD1 4.43Å; Y183-I283 HydrophobicContact CE1-CG2 4.05Å; A281-I283 PolarHBondContact O-N 3.47Å
284P91.3Very high92.3Very high52 Ų5235.9 Ų35.934%0.33821%0.209SC..PPolyproline II helixtrans-54.9141173.7-27.536.2000113.4V286 L301P284-V286 PolarHBondContact O-N 3.08Å; P284-L301 CarbonylContact C-O 3.56Å; P284-L301 WeakPolarHBondContact CA-O 3.33Å; P284-L301 WeakPolarHBondContact CB-O 3.47Å
285L94.8Very high92.3Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-60.8128.1168.8161.667.5000109.2I210 F257 L262 L277 M279 V287 Y300 L301I210-L285 HydrophobicContact CD1-CD2 4.21Å; F257-L285 HydrophobicContact CD1-CB 4.08Å; F257-L285 HydrophobicContact CD1-CD2 4.14Å; F257-L285 HydrophobicContact CD2-CD2 4Å; F257-L285 HydrophobicContact CE1-CB 3.4Å; F257-L285 HydrophobicContact CE1-CD2 4.19Å; F257-L285 HydrophobicContact CE1-CG 4.44Å; F257-L285 HydrophobicContact CE2-CB 4.15Å; F257-L285 HydrophobicContact CE2-CD2 4.02Å; F257-L285 HydrophobicContact CG-CD2 4.05Å; F257-L285 HydrophobicContact CZ-CB 3.45Å; F257-L285 VanDerWaalsContact CZ-CB 3.45Å; F257-L285 HydrophobicContact CZ-CD2 4.14Å; F257-L285 HydrophobicContact CZ-CG 4.35Å; L262-L285 HydrophobicContact CD2-CD2 3.9Å; L277-L285 HydrophobicContact CB-CD1 4.14Å; M279-L285 HydrophobicContact CG-CD1 3.58Å; M279-L285 HydrophobicContact SD-CD1 4.25Å; L285-V287 HydrophobicContact CD1-CG2 4.19Å; L285-V287 HydrophobicContact CD2-CG2 3.99Å; L285-V287 HydrophobicContact CG-CG2 3.84Å; L285-Y300 CarbonylContact O-C 3.48Å; L285-Y300 WeakPolarHBondContact O-CA 3.23Å; L285-L301 PolarHBondContact N-O 3.18Å; L285-L301 PolarHBondContact O-N 3.12Å
286V95.8Very high92.2Very high4 Ų436.8 Ų36.82%0.02421%0.212CC..EExtended strand (participates in β ladder)trans-103124172.1-171.90000109.9Y183 L277 S278 P284 K298 Y299 Y300Y183-V286 HydrophobicContact CE1-CG2 3.88Å; Y183-V286 WeakPolarHBondContact OH-CG2 3.42Å; L277-V286 CarbonylContact C-O 3.59Å; L277-V286 WeakPolarHBondContact CA-O 3.37Å; S278-V286 PolarHBondContact N-O 2.79Å; S278-V286 PolarHBondContact O-N 3.38Å; P284-V286 PolarHBondContact O-N 3.08Å; V286-K298 HydrophobicContact CG1-CB 4.16Å; V286-K298 HydrophobicContact CG1-CD 4.38Å; V286-K298 HydrophobicContact CG1-CG 4.2Å; V286-Y299 CarbonylContact C-O 3.58Å; V286-Y299 WeakPolarHBondContact CA-O 3.24Å; V286-Y300 HydrophobicContact CB-CE1 4.5Å; V286-Y300 HydrophobicContact CG1-CE1 4.19Å; V286-Y300 HydrophobicContact CG2-CD1 3.58Å; V286-Y300 HydrophobicContact CG2-CE1 3.51Å; V286-Y300 HydrophobicContact CG2-CG 4.45Å
287V96.9Very high92.2Very high0 Ų035.6 Ų35.60%021%0.205CC..EExtended strand (participates in β ladder)trans-111.7103.6176.3-173.40000108.5F194 F265 V275 T276 L277 L285 Y289 K298 Y299F194-V287 HydrophobicContact CE1-CG1 4.22Å; F265-V287 HydrophobicContact CD2-CB 4.23Å; F265-V287 HydrophobicContact CD2-CG2 3.9Å; F265-V287 HydrophobicContact CE2-CG2 4.33Å; V275-V287 HydrophobicContact CG2-CG1 3.51Å; T276-V287 CarbonylContact O-C 3.59Å; T276-V287 WeakPolarHBondContact O-CA 3.38Å; L277-V287 HydrophobicContact CD2-CB 4.25Å; L277-V287 HydrophobicContact CD2-CG1 3.83Å; L277-V287 HydrophobicContact CD2-CG2 3.85Å; L285-V287 HydrophobicContact CD1-CG2 4.19Å; L285-V287 HydrophobicContact CD2-CG2 3.99Å; L285-V287 HydrophobicContact CG-CG2 3.84Å; V287-Y289 HydrophobicContact CG1-CD2 4.24Å; V287-Y289 HydrophobicContact CG1-CE2 3.52Å; V287-K298 WeakPolarHBondContact O-CA 3.31Å; V287-Y299 PolarHBondContact N-O 2.91Å; V287-Y299 PolarHBondContact O-N 2.78Å
288E96.8Very high92.2Very high36 Ų3637.8 Ų37.817%0.16822%0.215CC..EExtended strand (participates in β ladder)trans-98.4129.4-179.9-171.2-177.4119.300112.2T276 K290 H296 I297 K298T276-E288 PolarHBondContact N-O 3.44Å; T276-E288 PolarHBondContact O-N 2.96Å; E288-K290 WeakPolarHBondContact OE1-CE 3.3Å; E288-K290 VanDerWaalsContact OE1-CG 3.26Å; E288-K290 WeakPolarHBondContact OE1-CG 3.46Å; E288-K290 IonicContact OE1-NZ 2.64Å; E288-H296 HydrophobicContact CG-CB 4.1Å; E288-I297 WeakPolarHBondContact CA-O 3.2Å; E288-K298 HydrophobicContact CB-CG 4.11Å; E288-K298 HydrophobicContact CG-CG 3.94Å; E288-K298 WeakPolarHBondContact OE2-CE 3.37Å; E288-K298 IonicContact OE2-NZ 3.99Å
289Y97.1Very high92.3Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-116.6117.9165.9-64.3-97.5000109.4F265 A268 V275 V287 H296 I297 Y299F265-Y289 WeakPolarHBondContact O-CE2 3.46Å; F265-Y289 PolarHBondContact O-OH 2.84Å; A268-Y289 HydrophobicContact CB-CD1 3.9Å; A268-Y289 HydrophobicContact CB-CD2 3.53Å; A268-Y289 HydrophobicContact CB-CE1 4.13Å; A268-Y289 HydrophobicContact CB-CE2 3.78Å; A268-Y289 HydrophobicContact CB-CG 3.59Å; V275-Y289 HydrophobicContact CB-CD1 4.23Å; V275-Y289 HydrophobicContact CB-CE1 3.84Å; V275-Y289 HydrophobicContact CG2-CD1 4.19Å; V275-Y289 HydrophobicContact CG2-CD2 4.23Å; V275-Y289 HydrophobicContact CG2-CE1 3.76Å; V275-Y289 HydrophobicContact CG2-CE2 3.81Å; V275-Y289 HydrophobicContact CG2-CG 4.41Å; V287-Y289 HydrophobicContact CG1-CD2 4.24Å; V287-Y289 HydrophobicContact CG1-CE2 3.52Å; Y289-H296 CarbonylContact O-C 3.43Å; Y289-H296 VanDerWaalsContact O-CA 3.32Å; Y289-H296 WeakPolarHBondContact O-CA 3.32Å; Y289-I297 PolarHBondContact N-O 2.9Å; Y289-I297 PolarHBondContact O-N 3.44Å; Y289-Y299 HydrophobicContact CD2-CD2 4.21Å; Y289-Y299 AromaticContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CE2-CD2 4.21Å; Y289-Y299 HydrophobicContact CE2-CE2 4.05Å
290K94.8Very high92.3Very high115 Ų11538.3 Ų38.350%0.521%0.214SC..EExtended strand (participates in β ladder)trans-78.7125.6178-66.8-176.1178.7-179.20111S272 E288 A292S272-K290 WeakPolarHBondContact CB-O 3.39Å; S272-K290 PolarHBondContact OG-O 2.72Å; E288-K290 WeakPolarHBondContact OE1-CE 3.3Å; E288-K290 VanDerWaalsContact OE1-CG 3.26Å; E288-K290 WeakPolarHBondContact OE1-CG 3.46Å; E288-K290 IonicContact OE1-NZ 2.64Å; K290-A292 PolarHBondContact O-N 2.8Å
291I92.4Very high92.5Very high2 Ų237.7 Ų37.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-90.183.9177.7-52.6172.5000107.5I61 V65 L100 L102 L271 D293 M294 G295 I297I61-I291 HydrophobicContact CG2-CG2 3.4Å; I61-I291 VanDerWaalsContact CG2-CG2 3.4Å; V65-I291 HydrophobicContact CG2-CD1 3.83Å; L100-I291 HydrophobicContact CD1-CD1 3.66Å; L102-I291 HydrophobicContact CD2-CD1 3.59Å; L271-I291 HydrophobicContact CD1-CG1 4.37Å; L271-I291 HydrophobicContact CD2-CG1 4.45Å; L271-I291 HydrophobicContact CD2-CG2 4.36Å; I291-D293 PolarHBondContact O-N 2.87Å; I291-M294 HydrophobicContact CB-CG 4.13Å; I291-M294 HydrophobicContact CG2-CG 3.64Å; I291-M294 HydrophobicContact CG2-SD 3.83Å; I291-M294 VanDerWaalsContact O-CG 3.23Å; I291-M294 WeakPolarHBondContact O-CG 3.49Å; I291-M294 PolarHBondContact O-N 2.72Å; I291-G295 PolarHBondContact N-O 3.01Å; I291-G295 PolarHBondContact O-N 2.9Å; I291-G295 VanDerWaalsContact O-N 3.16Å; I291-I297 HydrophobicContact CD1-CD1 4.46Å; I291-I297 HydrophobicContact CD1-CG1 3.79Å; I291-I297 HydrophobicContact CG1-CG1 4.29Å
292A85.4Confident92.8Very high65 Ų6537.1 Ų37.154%0.53721%0.205SC..THydrogen-bonded Turntrans43-133.3-17400000111.2K290K290-A292 PolarHBondContact O-N 2.8Å
293D83.8Confident93.3Very high147 Ų14731 Ų3179%0.78618%0.175SC*.THydrogen-bonded Turntrans-95.35.2174.4-56.9-63.1000113.4R103 I291R103-D293 PolarHBondContact NH2-O 3.04Å; I291-D293 PolarHBondContact O-N 2.87Å
294M89.6Confident93.3Very high9 Ų934.6 Ų34.64%0.04419%0.189CC..THydrogen-bonded Turntrans-89.1-27.4179.271.4179.6-45.900114.2L56 I61 L102 R103 G106 F107 I291L56-M294 HydrophobicContact CD1-CE 3.79Å; L56-M294 HydrophobicContact CD1-SD 4.26Å; I61-M294 HydrophobicContact CD1-SD 4.01Å; I61-M294 HydrophobicContact CG2-SD 3.84Å; L102-M294 HydrophobicContact CB-CE 4.3Å; L102-M294 HydrophobicContact CD2-CE 3.96Å; L102-M294 HydrophobicContact CD2-CG 4.14Å; L102-M294 HydrophobicContact CD2-SD 4.07Å; R103-M294 WeakPolarHBondContact CB-O 3.44Å; R103-M294 PolarHBondContact N-O 3.02Å; G106-M294 VanDerWaalsContact CA-CB 3.46Å; F107-M294 HydrophobicContact CD2-CE 4.44Å; F107-M294 HydrophobicContact CE1-CE 4.3Å; F107-M294 HydrophobicContact CE2-CE 3.97Å; F107-M294 HydrophobicContact CZ-CE 3.89Å; I291-M294 HydrophobicContact CB-CG 4.13Å; I291-M294 HydrophobicContact CG2-CG 3.64Å; I291-M294 HydrophobicContact CG2-SD 3.83Å; I291-M294 VanDerWaalsContact O-CG 3.23Å; I291-M294 WeakPolarHBondContact O-CG 3.49Å; I291-M294 PolarHBondContact O-N 2.72Å
295G93.3Very high92.8Very high4 Ų439.4 Ų39.44%0.04121%0.21CC..EExtended strand (participates in β ladder)trans178.1-162.8-166.200000116.8T101 I291T101-G295 CarbonylContact O-C 3.58Å; T101-G295 WeakPolarHBondContact O-CA 3.47Å; I291-G295 PolarHBondContact N-O 3.01Å; I291-G295 PolarHBondContact O-N 2.9Å; I291-G295 VanDerWaalsContact O-N 3.16Å
296H95.4Very high91.3Very high34 Ų3443.6 Ų43.616%0.15723%0.233CC..EExtended strand (participates in β ladder)trans-152.7157.2174.555.7-108.7000111.7T101 E288 Y289T101-H296 PolarHBondContact N-O 3.26Å; T101-H296 PolarHBondContact O-N 3.21Å; T101-H296 PolarHBondContact OG1-NE2 3.02Å; E288-H296 HydrophobicContact CG-CB 4.1Å; Y289-H296 CarbonylContact O-C 3.43Å; Y289-H296 VanDerWaalsContact O-CA 3.32Å; Y289-H296 WeakPolarHBondContact O-CA 3.32Å
297I96Very high89.3Confident0 Ų052 Ų520%027%0.272CS..EExtended strand (participates in β ladder)trans-108.4131.5156.4-46.8-169.4000107.6V65 A68 V98 Q99 L100 L271 E288 Y289 I291 Y299V65-I297 HydrophobicContact CG1-CD1 4.32Å; V65-I297 HydrophobicContact CG2-CD1 4.48Å; A68-I297 HydrophobicContact CB-CD1 4.41Å; V98-I297 HydrophobicContact CG2-CG2 3.66Å; Q99-I297 CarbonylContact O-C 3.59Å; Q99-I297 WeakPolarHBondContact O-CA 3.34Å; L100-I297 HydrophobicContact CD1-CD1 4.34Å; L100-I297 HydrophobicContact CD1-CG1 3.87Å; L271-I297 HydrophobicContact CD1-CD1 3.48Å; L271-I297 VanDerWaalsContact CD1-CD1 3.48Å; L271-I297 HydrophobicContact CD1-CG1 4.14Å; E288-I297 WeakPolarHBondContact CA-O 3.2Å; Y289-I297 PolarHBondContact N-O 2.9Å; Y289-I297 PolarHBondContact O-N 3.44Å; I291-I297 HydrophobicContact CD1-CD1 4.46Å; I291-I297 HydrophobicContact CD1-CG1 3.79Å; I291-I297 HydrophobicContact CG1-CG1 4.29Å; I297-Y299 HydrophobicContact CB-CE2 4.27Å; I297-Y299 HydrophobicContact CG2-CD2 4.11Å; I297-Y299 HydrophobicContact CG2-CE1 4.19Å; I297-Y299 HydrophobicContact CG2-CE2 3.62Å
298K95.8Very high86.9Confident47 Ų4761.1 Ų61.120%0.20431%0.314CS..EExtended strand (participates in β ladder)trans-115.1126.1167.7-71.6172.4177.9176.30108.9Q99 V286 V287 E288 Y300Q99-K298 HydrophobicContact CB-CB 4.43Å; Q99-K298 PolarHBondContact N-O 3.04Å; Q99-K298 PolarHBondContact O-N 3.46Å; V286-K298 HydrophobicContact CG1-CB 4.16Å; V286-K298 HydrophobicContact CG1-CD 4.38Å; V286-K298 HydrophobicContact CG1-CG 4.2Å; V287-K298 WeakPolarHBondContact O-CA 3.31Å; E288-K298 HydrophobicContact CB-CG 4.11Å; E288-K298 HydrophobicContact CG-CG 3.94Å; E288-K298 WeakPolarHBondContact OE2-CE 3.37Å; E288-K298 IonicContact OE2-NZ 3.99Å; K298-Y300 HydrophobicContact CB-CD2 4.43Å; K298-Y300 HydrophobicContact CB-CE2 3.66Å
299Y96.3Very high84.2Confident0 Ų063.5 Ų63.50%034%0.34CS..EExtended strand (participates in β ladder)trans-104.3131.2168.2-56.2-90.1000108.9A68 L72 V98 F265 A268 V286 V287 Y289 I297A68-Y299 WeakPolarHBondContact CB-OH 3.38Å; A68-Y299 PolarHBondContact O-OH 2.67Å; L72-Y299 HydrophobicContact CD2-CD1 3.84Å; L72-Y299 HydrophobicContact CD2-CE1 3.99Å; V98-Y299 HydrophobicContact CB-CD1 3.96Å; V98-Y299 HydrophobicContact CB-CE1 4.27Å; V98-Y299 HydrophobicContact CG2-CD1 3.56Å; V98-Y299 HydrophobicContact CG2-CE1 3.57Å; V98-Y299 HydrophobicContact CG2-CG 4.36Å; F265-Y299 HydrophobicContact CB-CD1 4.45Å; F265-Y299 HydrophobicContact CB-CD2 3.78Å; F265-Y299 HydrophobicContact CB-CE2 4.06Å; F265-Y299 HydrophobicContact CB-CG 3.99Å; F265-Y299 AromaticContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD1 3.23Å; F265-Y299 HydrophobicContact CD1-CD2 4.07Å; F265-Y299 AromaticContact CD1-CE1 3.81Å; F265-Y299 HydrophobicContact CD1-CE1 3.81Å; F265-Y299 AromaticContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD1-CG 3.36Å; F265-Y299 HydrophobicContact CD2-CG 4.19Å; F265-Y299 AromaticContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CD1 3.63Å; F265-Y299 HydrophobicContact CE1-CE1 4.49Å; F265-Y299 AromaticContact CE1-CG 3.86Å; F265-Y299 HydrophobicContact CE1-CG 3.86Å; F265-Y299 AromaticContact CG-CD1 3.94Å; F265-Y299 HydrophobicContact CG-CD1 3.94Å; F265-Y299 AromaticContact CG-CD2 3.91Å; F265-Y299 HydrophobicContact CG-CD2 3.91Å; F265-Y299 AromaticContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CG-CG 3.58Å; F265-Y299 HydrophobicContact CZ-CG 4.45Å; A268-Y299 HydrophobicContact CB-CE2 3.95Å; V286-Y299 CarbonylContact C-O 3.58Å; V286-Y299 WeakPolarHBondContact CA-O 3.24Å; V287-Y299 PolarHBondContact N-O 2.91Å; V287-Y299 PolarHBondContact O-N 2.78Å; Y289-Y299 HydrophobicContact CD2-CD2 4.21Å; Y289-Y299 AromaticContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CD2-CE2 3.94Å; Y289-Y299 HydrophobicContact CE2-CD2 4.21Å; Y289-Y299 HydrophobicContact CE2-CE2 4.05Å; I297-Y299 HydrophobicContact CB-CE2 4.27Å; I297-Y299 HydrophobicContact CG2-CD2 4.11Å; I297-Y299 HydrophobicContact CG2-CE1 4.19Å; I297-Y299 HydrophobicContact CG2-CE2 3.62Å
300Y94.9Very high81.1Confident28 Ų2872 Ų7211%0.1140%0.399CS..EExtended strand (participates in β ladder)trans-106.4133.7175.6-61.8-103.7000107.6S96 L97 Q99 I178 L285 V286 K298S96-Y300 WeakPolarHBondContact CA-O 3.43Å; S96-Y300 WeakPolarHBondContact CB-O 3.21Å; S96-Y300 PolarHBondContact OG-O 2.96Å; L97-Y300 HydrophobicContact CD2-CD2 3.57Å; L97-Y300 HydrophobicContact CD2-CE2 4.03Å; L97-Y300 HydrophobicContact CD2-CG 4.28Å; L97-Y300 PolarHBondContact N-O 3.33Å; L97-Y300 VanDerWaalsContact N-O 3.09Å; L97-Y300 PolarHBondContact O-N 2.94Å; Q99-Y300 HydrophobicContact CB-CE2 4.13Å; Q99-Y300 PolarHBondContact OE1-OH 3.09Å; I178-Y300 HydrophobicContact CD1-CD2 4.48Å; I178-Y300 HydrophobicContact CD1-CE1 4.31Å; I178-Y300 HydrophobicContact CD1-CE2 3.78Å; I178-Y300 HydrophobicContact CG2-CE1 3.99Å; L285-Y300 CarbonylContact O-C 3.48Å; L285-Y300 WeakPolarHBondContact O-CA 3.23Å; V286-Y300 HydrophobicContact CB-CE1 4.5Å; V286-Y300 HydrophobicContact CG1-CE1 4.19Å; V286-Y300 HydrophobicContact CG2-CD1 3.58Å; V286-Y300 HydrophobicContact CG2-CE1 3.51Å; V286-Y300 HydrophobicContact CG2-CG 4.45Å; K298-Y300 HydrophobicContact CB-CD2 4.43Å; K298-Y300 HydrophobicContact CB-CE2 3.66Å
301L94.9Very high80.4Confident1 Ų169.8 Ų69.81%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-138121.8-179.8-177.862000110.7V95 F257 Y261 L262 F265 P284 L285V95-L301 HydrophobicContact CG1-CD1 4.06Å; F257-L301 HydrophobicContact CB-CD2 4.03Å; F257-L301 HydrophobicContact CD1-CD2 4.13Å; F257-L301 HydrophobicContact CD1-CG 4.19Å; F257-L301 HydrophobicContact CG-CD2 4.43Å; Y261-L301 HydrophobicContact CD1-CD1 4.19Å; Y261-L301 HydrophobicContact CD2-CD1 4.04Å; Y261-L301 HydrophobicContact CG-CD1 3.73Å; L262-L301 HydrophobicContact CD2-CD2 3.74Å; L262-L301 HydrophobicContact CG-CD2 4.17Å; F265-L301 HydrophobicContact CE2-CB 3.81Å; F265-L301 HydrophobicContact CE2-CD2 3.9Å; F265-L301 HydrophobicContact CE2-CG 4.36Å; F265-L301 HydrophobicContact CZ-CB 3.94Å; F265-L301 HydrophobicContact CZ-CD1 4.35Å; F265-L301 HydrophobicContact CZ-CD2 4.26Å; F265-L301 HydrophobicContact CZ-CG 4.41Å; P284-L301 CarbonylContact C-O 3.56Å; P284-L301 WeakPolarHBondContact CA-O 3.33Å; P284-L301 WeakPolarHBondContact CB-O 3.47Å; L285-L301 PolarHBondContact N-O 3.18Å; L285-L301 PolarHBondContact O-N 3.12Å
302A92.9Very high79.8Confident44 Ų4473.4 Ų73.436%0.36441%0.414SS..PPolyproline II helixtrans-62.5138.3174.400000110.8V95V95-A302 HydrophobicContact CG1-CB 4.49Å; V95-A302 PolarHBondContact O-N 3.39Å
303P92.3Very high79.5Confident36 Ų3673.8 Ų73.823%0.23441%0.408CS..PPolyproline II helixtrans-66149.7169.329.6-34.1000110.4L255 I256 F257 I305L255-P303 HydrophobicContact CB-CB 4.46Å; L255-P303 HydrophobicContact CD2-CB 4.15Å; I256-P303 CarbonylContact O-C 3.54Å; I256-P303 WeakPolarHBondContact O-CA 3.4Å; F257-P303 HydrophobicContact CD1-CB 4.38Å; F257-P303 HydrophobicContact CE1-CB 3.77Å; F257-P303 HydrophobicContact CZ-CB 4.25Å; P303-I305 PolarHBondContact O-N 2.99Å
304K88.3Confident79.2Confident103 Ų10369.5 Ų69.545%0.44839%0.385SS..BIsolated β-bridgetrans-70.4125.7160.9-68.7-166.9175.9-169.40108.1A207 I256A207-K304 HydrophobicContact CB-CD 4.42Å; I256-K304 HydrophobicContact CB-CB 4.29Å; I256-K304 HydrophobicContact CG2-CB 4.16Å; I256-K304 HydrophobicContact CG2-CD 4.36Å; I256-K304 PolarHBondContact O-N 2.86Å
305I80.6Confident78.6Confident153 Ų15373.3 Ų73.379%0.78541%0.407SS*.PPolyproline II helixtrans-72134.9164.5-56.9174.2000107P303P303-I305 PolarHBondContact O-N 2.99Å
306D65Low77.6Confident87 Ų8777.9 Ų77.947%0.46543%0.431SS..  trans-93106.9177.3-143.1-12.4000108.3I256 E308 A309I256-D306 HydrophobicContact CD1-CB 4.4Å; I256-D306 VanDerWaalsContact CD1-OD2 3.24Å; I256-D306 WeakPolarHBondContact CD1-OD2 3.43Å; D306-E308 PolarHBondContact O-N 3.24Å; D306-E308 VanDerWaalsContact O-N 3.15Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.41Å
307E53.6Low76.3Confident181 Ų18181.1 Ų81.185%0.84645%0.451SS*.THydrogen-bonded Turntrans-68.7-10.5-172.4-65.5-172157.100113.3A309E307-A309 VanDerWaalsContact C-N 3.3Å
308E45.2Very low74.8Confident191 Ų19187.3 Ų87.389%0.89349%0.485SS*.THydrogen-bonded Turntrans-84.73.4175.1-59.4-165.3158.800113.8D306D306-E308 PolarHBondContact O-N 3.24Å; D306-E308 VanDerWaalsContact O-N 3.15Å
309A40Very low73Confident86 Ų8690.7 Ų90.771%0.71151%0.509SS*.  trans-10516.8-172.800000115.9D306 E307D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.41Å; E307-A309 VanDerWaalsContact C-N 3.3Å
310S32.8Very low70.9Confident178 Ų17898.9 Ų98.9100%1.24556%0.555SS**  trans-122.20-178.169.80000114.3

Retrieved 310 of 310 residues in 100.8 ms (Link to these results)