A0A096NW18_PAPAN Loading...

Low-density lipoprotein receptor-related protein 11

AlphaFold DB , UniProt , Accession A0A096NW18, Species PAPAN (Papio anubis, Olive baboon), Gene LRP11, Length 500 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low33Very low246 Ų246135.7 Ų135.7100%1.21285%0.849SS**  0156.40-76.4173.4164.900108.6
2A31.4Very low32.7Very low90 Ų90143.5 Ų143.574%0.74485%0.85SS**  trans-9.4134.4176.800000118.8
3S30.4Very low32.6Very low117 Ų117149 Ų14982%0.81885%0.847SS**  63.2146.562.7-51.70000112.7
4T37.7Very low32.4Very low141 Ų141154.8 Ų154.887%0.86585%0.849SS**  cis-126.6-171.98.454.10000110
5A36.4Very low32.2Very low88 Ų88160.3 Ų160.373%0.72785%0.852SS**  cis-145.6-156.37.800000108.5
6R32.3Very low33.1Very low226 Ų226157.4 Ų157.485%0.85385%0.845SS**  cis-147.3160.83.4-156.9172.7-172167.52.1110.1
7E33.9Very low33.7Very low166 Ų166154.6 Ų154.678%0.77684%0.837SS**  trans-66.6178.2-173.1-45.6117.291.800114.8
8S30Very low33.8Very low117 Ų117158.2 Ų158.282%0.81884%0.836SS**  cis-152.6173.49.194.60000112.6
9A33.8Very low33.7Very low103 Ų103159.3 Ų159.385%0.85184%0.836SS**  trans-113.6147.4-179.400000113.2
10G28.3Very low33.5Very low85 Ų85155.3 Ų155.388%0.87684%0.835SS**  trans-148.9122.3172.600000112
11S29.8Very low33.6Very low114 Ų114152.5 Ų152.580%0.79783%0.834SS**  trans-122.8142.9-168.6172.70000113.4
12R30.2Very low33.3Very low229 Ų229148.9 Ų148.986%0.86482%0.818SS**  trans-161.3116.7154.8-102.2159.7-166.4-147.23.7108.7
13R31.2Very low33.6Very low215 Ų215156.3 Ų156.381%0.81183%0.827SS**  62.912796.7-73.3-174.3-179.7-158.9-0.7112.8
14R29.4Very low33.9Very low230 Ų230154.4 Ų154.487%0.86883%0.826SS**  cis-155.4166.123.9-101.3163.3175.1179.4-2.4111.6
15R29.7Very low33.9Very low237 Ų237155.9 Ų155.989%0.89483%0.828SS**  trans-91.1-167.2164.2-64.6179.4170.3176.2-3.6110.7
16P45.9Very low34.1Very low115 Ų115159.9 Ų159.975%0.74784%0.836SS**  -116.6-144.4-81.141.3-22.4000108.9
17P43.1Very low34.5Very low109 Ų109157 Ų15771%0.70884%0.837SS**  cis-136.3175.6-1440.3-20.5000117.7
18R35.5Very low34.7Very low219 Ų219157 Ų15783%0.82684%0.841SS**  trans20145.1149.6-67.3-173171.1177.8-3124.8
19H32.2Very low34.9Very low179 Ų179157.5 Ų157.583%0.82984%0.843SS**  trans79.7133.8157.7-65.5-66.6000119.1
20G30.7Very low35Very low79 Ų79159.9 Ų159.981%0.81484%0.841SS**  trans158.450178.200000115
21A35.4Very low35.3Very low98 Ų98167.8 Ų167.881%0.8184%0.844SS**  trans-87.6110.817100000110.1
22L32.4Very low35.3Very low170 Ų170170.6 Ų170.689%0.8985%0.85SS**  trans-173.9159.9151.6-128.278.2000110.2
23R36.4Very low35.8Very low246 Ų246165.7 Ų165.793%0.92885%0.847SS**  trans71.691.7176.6-63.2-179.6160.8-175.3-6.3116.6
24G37.7Very low36.1Very low77 Ų77161.8 Ų161.879%0.79485%0.853SS**  trans-171.837.3169.500000114.9
25L38.3Very low36.2Very low172 Ų172154.6 Ų154.690%0.90185%0.85SS**SBendtrans-160.247.8-179.8-118.7156.2000114.1
26L39.5Very low36.4Very low171 Ų171155.6 Ų155.690%0.89585%0.854SS**  trans-156.781.1174.4-121.6155.7000109.6
27L41Very low36Very low166 Ų166155.2 Ų155.287%0.86986%0.86SS**  trans-179.765.3168.2-105.7166.1000112
28L37.7Very low35.5Very low165 Ų165154.9 Ų154.986%0.86487%0.867SS**  trans-155.950.9169.6-126.7140.3000114.6
29C34.9Very low35.6Very low128 Ų128152.2 Ų152.287%0.86587%0.868SS**  trans-132.355.8171.6-65.80000111.9
30L35.9Very low36Very low154 Ų154149.1 Ų149.181%0.80686%0.864SS**  trans-148.566.4176.4-79.5-178.7000112.9
31W33.9Very low36.8Very low251 Ų251151 Ų15195%0.95186%0.862SS**  trans-147.488162.1-77.895.5000111.2
32L30.4Very low37.4Very low173 Ų173151.4 Ų151.491%0.90687%0.865SS**  trans-143.8117.3164.1-88173000108.2
33P39.5Very low37.8Very low125 Ų125147.7 Ų147.781%0.81286%0.859SS**  trans-93.2137.4170.233.7-29.5000111.4
34S38Very low38.2Very low133 Ų133141 Ų14193%0.9385%0.848SS**  trans-81.6133.1170.8-620000111.2
35G32.1Very low38.8Very low79 Ų79144.9 Ų144.981%0.81485%0.849SS**  trans-132.8123.8168.700000110.5
36R33.4Very low39.2Very low259 Ų259140.2 Ų140.298%0.97783%0.831SS**  trans-85.2154.2179.1-107.2178.2172.7167.4-3.6111.5
37A37Very low39.5Very low106 Ų106139.3 Ų139.388%0.87682%0.822SS**  trans-75.8149.6-171.100000115.1
38A32.9Very low39.6Very low103 Ų103137 Ų13785%0.85181%0.81SS**  trans-147.7135150.200000108.5
39L37.5Very low40.1Very low162 Ų162136.1 Ų136.185%0.84880%0.801SS**  trans-107.4143.4176-163.177.6000108.2
40P42.2Very low40.9Very low114 Ų114133.2 Ų133.274%0.7479%0.787SS**  -145.1-165.8111.142.7-26.7000111.7
41P45.8Very low41.5Very low119 Ų119133.1 Ų133.177%0.77378%0.782SS**  -104.6174.6-99.131.9-13.8000114.2
42A48.9Very low42.4Very low106 Ų106126.3 Ų126.388%0.87676%0.764SS**  trans-68.7143.3-174.100000114.8
43A40.5Very low43.6Very low93 Ų93121.1 Ų121.177%0.76974%0.742SS**  trans-104.5151.1164.200000110.3
44P44.7Very low44.7Very low105 Ų105116.8 Ų116.868%0.68272%0.72SS**  trans-83.9162.9-164.232.7-36.4000115.6S46P44-S46 PolarHBondContact O-N 2.88Å
45L50.4Low46.1Very low158 Ų158114.5 Ų114.583%0.82770%0.7SS**THydrogen-bonded Turntrans-68.624.3-177-95.3162.1000116.1
46S47.9Very low47.7Very low75 Ų75117.6 Ų117.652%0.52469%0.693SS.*THydrogen-bonded Turntrans-87.9-32.2-179.8460000114P44 L48P44-S46 PolarHBondContact O-N 2.88Å; S46-L48 PolarHBondContact O-N 2.91Å
47E45.7Very low49.5Very low151 Ų151111.8 Ų111.871%0.70668%0.677SS**Hα-helixtrans-69.2-32-172.7-137.671.3-159.200113.4H49 A50E47-H49 PolarHBondContact O-N 3.08Å; E47-A50 PolarHBondContact O-N 3.38Å
48L42.4Very low51.1Low117 Ų117112.7 Ų112.761%0.61367%0.667SS**Hα-helixtrans-72.3-27.8-173.1-140.480.6000113.1S46 A50S46-L48 PolarHBondContact O-N 2.91Å; L48-A50 VanDerWaalsContact C-N 3.35Å
49H47.9Very low52.9Low147 Ų147112.5 Ų112.568%0.68165%0.651SS**Hα-helixtrans-72.8-27.9176.1-99.5109.4000112.6E47 Q51 L52 S53E47-H49 PolarHBondContact O-N 3.08Å; H49-Q51 VanDerWaalsContact C-N 3.3Å; H49-Q51 PolarHBondContact O-N 2.63Å; H49-L52 PolarHBondContact O-N 3.23Å; H49-S53 PolarHBondContact O-N 3.41Å
50A51.8Low54.7Low68 Ų68109.9 Ų109.956%0.56263%0.634SS**Hα-helixtrans-71.8-22.1179.200000113.3E47 L48 S53E47-A50 PolarHBondContact O-N 3.38Å; L48-A50 VanDerWaalsContact C-N 3.35Å; A50-S53 PolarHBondContact O-OG 2.79Å
51Q49.1Very low56.2Low152 Ų152109.4 Ų109.471%0.7162%0.622SS**Hα-helixtrans-89.7-23.6175.3-66-153.5-58.300113.8H49H49-Q51 VanDerWaalsContact C-N 3.3Å; H49-Q51 PolarHBondContact O-N 2.63Å
52L51.4Low57.1Low108 Ų108109.6 Ų109.657%0.56561%0.611SS**Hα-helixtrans-75.7-38.2177.6-78.2162.6000112.2H49 G54 V55 E56H49-L52 PolarHBondContact O-N 3.23Å; L52-G54 VanDerWaalsContact C-N 3.35Å; L52-G54 PolarHBondContact O-N 3.17Å; L52-V55 PolarHBondContact O-N 2.7Å; L52-E56 PolarHBondContact O-N 2.04Å
53S56.8Low58.1Low64 Ų64111.4 Ų111.445%0.44860%0.595SS.*Hα-helixtrans-62.9-37.8177.2570000113.3H49 A50 V55 E56 Q57H49-S53 PolarHBondContact O-N 3.41Å; A50-S53 PolarHBondContact O-OG 2.79Å; S53-V55 VanDerWaalsContact C-N 3.28Å; S53-V55 PolarHBondContact O-N 3.26Å; S53-E56 PolarHBondContact O-N 2.9Å; S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.15Å
54G62.2Low59.4Low33 Ų33114.4 Ų114.434%0.3459%0.587SS.*Hα-helixtrans-65.6-27.9178.800000114L52 L58L52-G54 VanDerWaalsContact C-N 3.35Å; L52-G54 PolarHBondContact O-N 3.17Å; G54-L58 PolarHBondContact O-N 2.72Å
55V66.5Low60.1Low86 Ų86115 Ų11552%0.52158%0.581SS.*Hα-helixtrans-80.1-39.2177.7178.80000111.2L52 S53 Q57 L58 L59L52-V55 PolarHBondContact O-N 2.7Å; S53-V55 VanDerWaalsContact C-N 3.28Å; S53-V55 PolarHBondContact O-N 3.26Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-L58 PolarHBondContact O-N 3.25Å; V55-L59 HydrophobicContact CG1-CD1 4.24Å; V55-L59 WeakPolarHBondContact O-CB 3.24Å; V55-L59 PolarHBondContact O-N 3.02Å
56E66.6Low60.2Low144 Ų144112.6 Ų112.667%0.67357%0.568SS**Hα-helixtrans-62.7-41.6171.6-70.4-172.3137.800111.3L52 S53 L58 L59 E60L52-E56 PolarHBondContact O-N 2.04Å; S53-E56 PolarHBondContact O-N 2.9Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.13Å; E56-L59 PolarHBondContact O-N 3.14Å; E56-E60 WeakPolarHBondContact O-CB 3.5Å; E56-E60 PolarHBondContact O-N 3.35Å
57Q71.7Confident60.5Low136 Ų136117.1 Ų117.164%0.63658%0.581SS**Hα-helixtrans-62.8-39.1177.2-160.3166.78.200112.1S53 V55 E60 E61S53-Q57 WeakPolarHBondContact O-CB 3.4Å; S53-Q57 PolarHBondContact O-N 3.15Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; Q57-E60 PolarHBondContact O-N 2.78Å; Q57-E61 WeakPolarHBondContact O-CB 3.09Å; Q57-E61 PolarHBondContact O-N 2.04Å
58L70.6Confident60.6Low126 Ų126116.6 Ų116.666%0.6658%0.578SS**Hα-helixtrans-68.2-36.9173.4-112.4161.9000113.3G54 V55 E56 F62G54-L58 PolarHBondContact O-N 2.72Å; V55-L58 PolarHBondContact O-N 3.25Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 3.13Å; L58-F62 WeakPolarHBondContact O-CB 3.09Å; L58-F62 PolarHBondContact O-N 3.31Å
59L70.7Confident60.5Low98 Ų98118.5 Ų118.551%0.51358%0.584SS.*Hα-helixtrans-68.3-36.7174.8-86.9162.7000112.2V55 E56 F62 R63V55-L59 HydrophobicContact CG1-CD1 4.24Å; V55-L59 WeakPolarHBondContact O-CB 3.24Å; V55-L59 PolarHBondContact O-N 3.02Å; E56-L59 PolarHBondContact O-N 3.14Å; L59-F62 PolarHBondContact O-N 2.91Å; L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.21Å
60E74.9Confident59.9Low108 Ų108122.2 Ų122.251%0.50559%0.592SS.*Hα-helixtrans-74.6-36.6177.2-146.365.1-171.800111.5E56 Q57 F62 R63 R64E56-E60 WeakPolarHBondContact O-CB 3.5Å; E56-E60 PolarHBondContact O-N 3.35Å; Q57-E60 PolarHBondContact O-N 2.78Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.03Å; E60-R63 PolarHBondContact O-N 3.01Å; E60-R63 IonicContact OE1-NH1 3.76Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-R63 IonicContact OE2-CZ 3.15Å; E60-R63 IonicContact OE2-NH1 2.64Å; E60-R63 PolarHBondContact OE2-NH1 2.73Å; E60-R64 VanDerWaalsContact O-CB 3.24Å; E60-R64 WeakPolarHBondContact O-CB 3.04Å; E60-R64 PolarHBondContact O-N 3.01Å
61E74.8Confident59.2Low104 Ų104123 Ų12349%0.48659%0.591SS.*Hα-helixtrans-60.8-41.3168.9-157.687.5-125.100111.1Q57 R64 Q65Q57-E61 WeakPolarHBondContact O-CB 3.09Å; Q57-E61 PolarHBondContact O-N 2.04Å; E61-R64 PolarHBondContact O-N 3.25Å; E61-Q65 WeakPolarHBondContact O-CG 3.07Å; E61-Q65 PolarHBondContact O-N 3.38Å
62F64.1Low58.7Low122 Ų122123.5 Ų123.554%0.53559%0.593SS.*Hα-helixtrans-71.8-38.3177.7-161.5-97.9000112.9L58 L59 E60 R64 Q65 L66L58-F62 WeakPolarHBondContact O-CB 3.09Å; L58-F62 PolarHBondContact O-N 3.31Å; L59-F62 PolarHBondContact O-N 2.91Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.03Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 2.03Å; F62-Q65 PolarHBondContact O-N 3.1Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CD1-CG 4.5Å; F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CE1-CG 4.39Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.8Å
63R69Low58.3Low145 Ų145125.1 Ų125.155%0.54760%0.598SS.*Hα-helixtrans-59.3-42.9168.3-83.3179.8178.4144.5-0.6111.5L59 E60 L66 Q67L59-R63 WeakPolarHBondContact O-CG 3.39Å; L59-R63 PolarHBondContact O-N 3.21Å; E60-R63 PolarHBondContact O-N 3.01Å; E60-R63 IonicContact OE1-NH1 3.76Å; E60-R63 WeakPolarHBondContact OE2-CD 3.34Å; E60-R63 IonicContact OE2-CZ 3.15Å; E60-R63 IonicContact OE2-NH1 2.64Å; E60-R63 PolarHBondContact OE2-NH1 2.73Å; R63-L66 PolarHBondContact O-N 3.08Å; R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.32Å
64R67.9Low57.5Low155 Ų155129.4 Ų129.459%0.58561%0.611SS**Hα-helixtrans-67.8-35.1178.6-172.5178.3170.4-174.8-2.2112E60 E61 F62 Q67 Q68E60-R64 VanDerWaalsContact O-CB 3.24Å; E60-R64 WeakPolarHBondContact O-CB 3.04Å; E60-R64 PolarHBondContact O-N 3.01Å; E61-R64 PolarHBondContact O-N 3.25Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 2.03Å; R64-Q67 PolarHBondContact O-N 3.08Å; R64-Q68 VanDerWaalsContact O-CB 3.23Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 PolarHBondContact O-N 2.97Å; R64-Q68 VanDerWaalsContact O-N 3.09Å
65Q60.1Low56.2Low119 Ų119133.5 Ų133.556%0.55663%0.625SS**Hα-helixtrans-63.5-44169.8-76.5178.9-18.400111.9E61 F62 Q67 Q68 E69E61-Q65 WeakPolarHBondContact O-CG 3.07Å; E61-Q65 PolarHBondContact O-N 3.38Å; F62-Q65 PolarHBondContact O-N 3.1Å; Q65-Q67 VanDerWaalsContact C-N 3.3Å; Q65-Q67 PolarHBondContact O-N 2.02Å; Q65-Q68 PolarHBondContact O-N 2.97Å; Q65-E69 PolarHBondContact O-N 3.28Å
66L52.3Low54.9Low107 Ų107135 Ų13556%0.5663%0.626SS**Hα-helixtrans-64.4-30.9174.6-73.7167.2000113.3F62 R63 Q68F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CD1-CG 4.5Å; F62-L66 HydrophobicContact CE1-CD1 3.93Å; F62-L66 HydrophobicContact CE1-CG 4.39Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.8Å; R63-L66 PolarHBondContact O-N 3.08Å; L66-Q68 VanDerWaalsContact C-N 3.31Å
67Q53.8Low53.5Low170 Ų170133.4 Ų133.479%0.79462%0.621SS**THydrogen-bonded Turntrans-82-5.5173.1-72.6-178.9-41.100113.9R63 R64 Q65R63-Q67 WeakPolarHBondContact O-CG 3.41Å; R63-Q67 PolarHBondContact O-N 3.32Å; R64-Q67 PolarHBondContact O-N 3.08Å; Q65-Q67 VanDerWaalsContact C-N 3.3Å; Q65-Q67 PolarHBondContact O-N 2.02Å
68Q47.9Very low51.7Low140 Ų140134.3 Ų134.365%0.65463%0.626SS**THydrogen-bonded Turntrans-113.10.3-178-162.9162.7-7.300113.2R64 Q65 L66 R70R64-Q68 VanDerWaalsContact O-CB 3.23Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 PolarHBondContact O-N 2.97Å; R64-Q68 VanDerWaalsContact O-N 3.09Å; Q65-Q68 PolarHBondContact O-N 2.97Å; L66-Q68 VanDerWaalsContact C-N 3.31Å; Q68-R70 PolarHBondContact O-N 2.94Å
69E39.8Very low50.1Low156 Ų156135.2 Ų135.273%0.72963%0.631SS**SBendtrans-65.2109.8149.7-76.7-165.8126.600108.3Q65Q65-E69 PolarHBondContact O-N 3.28Å
70R35.6Very low48.5Very low226 Ų226140.6 Ų140.685%0.85364%0.644SS**  trans-55.9153.4173.8-65.3178.3-175.8162.60.3110Q68 Q72Q68-R70 PolarHBondContact O-N 2.94Å; R70-Q72 PolarHBondContact O-N 3.15Å
71P38.1Very low46.6Very low84 Ų84140 Ų14055%0.54565%0.652SS.*  trans-55.5115.3169.7-18.530.2000109.4E73 E74P71-E73 HydrophobicContact CB-CB 4.38Å; P71-E73 PolarHBondContact O-N 2.81Å; P71-E73 VanDerWaalsContact O-N 3.07Å; P71-E74 PolarHBondContact O-N 3.41Å
72Q38.4Very low44.3Very low162 Ų162137.8 Ų137.876%0.75766%0.657SS**THydrogen-bonded Turntrans-71.98.7168.8-147.4-175.2-89.900111.7R70R70-Q72 PolarHBondContact O-N 3.15Å
73E43.1Very low43Very low143 Ų143135.5 Ų135.567%0.66867%0.667SS**THydrogen-bonded Turntrans-85.6-29.5174.1-68.1176.8105.300112.6P71 L75 E76 L77P71-E73 HydrophobicContact CB-CB 4.38Å; P71-E73 PolarHBondContact O-N 2.81Å; P71-E73 VanDerWaalsContact O-N 3.07Å; E73-L75 PolarHBondContact O-N 3.08Å; E73-E76 PolarHBondContact O-N 2.98Å; E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 PolarHBondContact O-N 2.93Å
74E39.4Very low41Very low154 Ų154131.1 Ų131.172%0.7267%0.667SS**Hα-helixtrans-75.5-24.8-175.9-155.1166.3-153.600112.6P71P71-E74 PolarHBondContact O-N 3.41Å
75L34.6Very low39.4Very low118 Ų118127.4 Ų127.462%0.61866%0.663SS**Hα-helixtrans-88.6-21.2172.6-162.766.3000113.3E73E73-L75 PolarHBondContact O-N 3.08Å
76E38.6Very low38.7Very low119 Ų119128.9 Ų128.956%0.55667%0.67SS**Hα-helixtrans-79.9-25.1168.6-77.3-159.212500112.4E73 L79 R80E73-E76 PolarHBondContact O-N 2.98Å; E76-L79 PolarHBondContact O-N 2.82Å; E76-R80 WeakPolarHBondContact O-CB 3.04Å; E76-R80 WeakPolarHBondContact O-CG 3.07Å; E76-R80 PolarHBondContact O-N 2.84Å
77L38.8Very low38.4Very low109 Ų109128.7 Ų128.757%0.57167%0.667SS**Hα-helixtrans-68.3-32.1171-102.384.5000113.3E73 L79 R80 S81E73-L77 VanDerWaalsContact O-CD1 3.26Å; E73-L77 WeakPolarHBondContact O-CD1 3.31Å; E73-L77 PolarHBondContact O-N 2.93Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-R80 PolarHBondContact O-N 3.44Å; L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.93Å
78E33.8Very low38.4Very low155 Ų155125.2 Ų125.272%0.72465%0.654SS**Hα-helixtrans-73.4-21.8173.6-73.8-159.4121.400113.3
79L36.4Very low38.8Very low146 Ų146119.6 Ų119.676%0.76463%0.629SS**Hα-helixtrans-92.8-11.8169.4-86.1108.1000114.5E76 L77E76-L79 PolarHBondContact O-N 2.82Å; L77-L79 VanDerWaalsContact C-N 3.33Å
80R37.3Very low39.3Very low210 Ų210118.2 Ų118.279%0.79263%0.634SS**Hα-helixtrans-99.9-16.6172.9-74.7-177.7164.3-144.4-5114.6E76 L77 G82E76-R80 WeakPolarHBondContact O-CB 3.04Å; E76-R80 WeakPolarHBondContact O-CG 3.07Å; E76-R80 PolarHBondContact O-N 2.84Å; L77-R80 PolarHBondContact O-N 3.44Å; R80-G82 PolarHBondContact O-N 3.15Å
81S34.2Very low39.8Very low96 Ų96109.7 Ų109.767%0.67162%0.617SS**  trans-78.17.7166.7-57.60000113.2L77 G83L77-S81 WeakPolarHBondContact O-CB 3.27Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.93Å; S81-G83 PolarHBondContact O-N 3.24Å
82G27.6Very low39.7Very low58 Ų58113 Ų11360%0.59864%0.638SS**  trans-69.173162.300000111.2R80 G84R80-G82 PolarHBondContact O-N 3.15Å; G82-G84 PolarHBondContact O-N 3.36Å
83G36.1Very low40.1Very low73 Ų73107 Ų10775%0.75362%0.619SS**  trans-5694.7154.300000107.1S81S81-G83 PolarHBondContact O-N 3.24Å
84G28Very low40.4Very low53 Ų53102.7 Ų102.755%0.54661%0.614SS.*  trans-53.7133-173.300000108.7G82 Q86G82-G84 PolarHBondContact O-N 3.36Å; G84-Q86 PolarHBondContact O-N 3.2Å; G84-Q86 VanDerWaalsContact O-N 3.17Å
85P33.6Very low41.2Very low77 Ų7795.8 Ų95.850%0.558%0.583SS.*  trans-54.6130.3-171.924-34.7000108.6E87 Y97P85-E87 HydrophobicContact CB-CG 4.03Å; P85-E87 HydrophobicContact CG-CG 4.18Å; P85-E87 PolarHBondContact O-N 3.08Å; P85-Y97 PolarHBondContact O-OH 3.2Å
86Q45Very low42.7Very low151 Ų15190.8 Ų90.871%0.70656%0.56SS**  trans-69.775.7174.2-176.5170.5-2700107.7G84 D88G84-Q86 PolarHBondContact O-N 3.2Å; G84-Q86 VanDerWaalsContact O-N 3.17Å; Q86-D88 PolarHBondContact O-N 3.06Å
87E46.2Very low44.5Very low103 Ų10387.3 Ų87.348%0.48154%0.542SS..  trans-83.9104.6174.4-67.7-168112.800107.3P85 R128P85-E87 HydrophobicContact CB-CG 4.03Å; P85-E87 HydrophobicContact CG-CG 4.18Å; P85-E87 PolarHBondContact O-N 3.08Å; E87-R128 IonicContact OE2-CZ 3.22Å; E87-R128 IonicContact OE2-NH1 2.83Å; E87-R128 PolarHBondContact OE2-NH1 2.79Å; E87-R128 IonicContact OE2-NH2 3.73Å; E87-R128 PolarHBondContact OE2-NH2 2.88Å
88D53.2Low46.5Very low97 Ų9785.6 Ų85.652%0.51954%0.54SS..  trans-51.6139.1-176.6-62.1-69.1000112Q86 P90Q86-D88 PolarHBondContact O-N 3.06Å; D88-P90 WeakPolarHBondContact O-CD 3.27Å; D88-P90 VanDerWaalsContact O-N 3.16Å
89C58.1Low48.8Very low21 Ų2180.8 Ų80.814%0.14253%0.527CS..  trans-53.9122161.2-80.80000108.1G91 C135C89-G91 PolarHBondContact O-N 3.04Å; C89-C135 HydrophobicContact CB-CB 3.7Å; C89-C135 WeakPolarHBondContact CB-SG 3.45Å; C89-C135 WeakPolarHBondContact SG-CB 3.21Å; C89-C135 CovalentContact SG-SG 2.05Å; C89-C135 PolarHBondContact SG-SG 3.4Å
90P50Low51Low128 Ų12878 Ų7883%0.83151%0.511SS*.SBendtrans-70.492.6-17927.2-33.8000110.4D88D88-P90 WeakPolarHBondContact O-CD 3.27Å; D88-P90 VanDerWaalsContact O-N 3.16Å
91G46.3Very low53.2Low47 Ų4772.5 Ų72.549%0.48550%0.502SS..SBendtrans-170.2167.5179.900000112.1C89 G93C89-G91 PolarHBondContact O-N 3.04Å; G91-G93 PolarHBondContact O-N 2.93Å
92P35.6Very low55.5Low153 Ų15371 Ų7199%0.99449%0.487SS*.SBendtrans-69.9-2.3-163.7-22.134.9000117.2
93G46.7Very low58.2Low35 Ų3568.5 Ų68.536%0.36146%0.46SS..SBendtrans-138.581.1-178.900000110.1G91 G95G91-G93 PolarHBondContact O-N 2.93Å; G93-G95 PolarHBondContact O-N 2.91Å
94G49.4Very low60.7Low54 Ų5467 Ų6756%0.55743%0.434SS*.  trans-47.9107-172.500000113.1
95G55.1Low63.6Low8 Ų864.9 Ų64.98%0.08241%0.411CS..  trans-113.2131.8177.100000110G93 S187G93-G95 PolarHBondContact O-N 2.91Å; G95-S187 WeakPolarHBondContact CA-O 3.42Å
96G67.8Low66.3Low13 Ų1366.9 Ų66.913%0.13441%0.408CS..  trans-77165.5174.600000112.1S187G96-S187 PolarHBondContact O-N 2.87Å; G96-S187 PolarHBondContact O-OG 2.83Å
97Y75.4Confident68.3Low46 Ų4663 Ų6318%0.1840%0.395CS..EExtended strand (participates in β ladder)trans-114.8144165.562.4-95.9000110.2P85 W127 V131 Y184 S185P85-Y97 PolarHBondContact O-OH 3.2Å; Y97-W127 HydrophobicContact CE2-CH2 4.44Å; Y97-W127 HydrophobicContact CE2-CZ3 4.02Å; Y97-W127 AromaticContact CZ-CZ3 3.94Å; Y97-V131 HydrophobicContact CD1-CG1 4Å; Y97-V131 HydrophobicContact CG-CG1 4.2Å; Y97-Y184 HydrophobicContact CD2-CD1 4.16Å; Y97-S185 CarbonylContact C-O 3.57Å; Y97-S185 WeakPolarHBondContact CA-O 3.5Å
98S80.3Confident70.2Confident73 Ų7366.4 Ų66.451%0.5141%0.408SS..EExtended strand (participates in β ladder)trans-108.7125.4169.6178.10000109.5Y184 S185S98-Y184 WeakPolarHBondContact O-CA 3.47Å; S98-S185 PolarHBondContact N-O 3.49Å; S98-S185 PolarHBondContact O-N 2.8Å; S98-S185 PolarHBondContact O-OG 3.34Å
99A81.9Confident71.9Confident55 Ų5564.2 Ų64.246%0.45540%0.396SS..EExtended strand (participates in β ladder)trans-96.8130.3-176.800000111Y184A99-Y184 HydrophobicContact CB-CD1 3.67Å; A99-Y184 HydrophobicContact CB-CE1 3.64Å
100M83.7Confident73.5Confident88 Ų8863.2 Ų63.243%0.43339%0.39SS..EExtended strand (participates in β ladder)trans-116.997.7176.6-162.3-179.9-7300108.3A103 F175 S183M100-A103 HydrophobicContact CB-CB 4.1Å; M100-A103 HydrophobicContact CG-CB 3.53Å; M100-A103 HydrophobicContact SD-CB 3.73Å; M100-F175 HydrophobicContact SD-CB 4.17Å; M100-F175 HydrophobicContact SD-CD1 4.5Å; M100-F175 HydrophobicContact SD-CD2 4.38Å; M100-F175 HydrophobicContact SD-CG 4.1Å; M100-S183 PolarHBondContact N-O 3.21Å; M100-S183 PolarHBondContact O-N 3.06Å
101P82.2Confident75.3Confident93 Ų9361.2 Ų61.260%0.60437%0.371SS*.THydrogen-bonded Turntrans-73.1152.7-178.231-35000111.6A103P101-A103 PolarHBondContact O-N 2.92Å; P101-A103 VanDerWaalsContact O-N 3.14Å
102D82.5Confident77.3Confident65 Ų6563.2 Ų63.235%0.34838%0.384SS..THydrogen-bonded Turntrans50.633.4-177.5-71.7-33.7000113.5L177 H178 R179 G180 Y181D102-L177 HydrophobicContact CB-CD1 4.23Å; D102-L177 CarbonylContact O-C 3.48Å; D102-L177 WeakPolarHBondContact O-CA 3.42Å; D102-L177 WeakPolarHBondContact O-CD1 3.34Å; D102-H178 CarbonylContact C-O 3.56Å; D102-H178 CarbonylContact O-C 3.47Å; D102-H178 PolarHBondContact O-N 2.68Å; D102-R179 WeakPolarHBondContact OD1-CA 3.37Å; D102-G180 PolarHBondContact OD1-N 2.83Å; D102-Y181 CarbonylContact C-O 3.54Å; D102-Y181 WeakPolarHBondContact CA-O 3.37Å; D102-Y181 PolarHBondContact N-O 3.15Å; D102-Y181 VanDerWaalsContact N-O 3.14Å
103A84.8Confident79.8Confident5 Ų558 Ų584%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-127.8124.1-17700000112.2M100 P101 A176 Y181 S183M100-A103 HydrophobicContact CB-CB 4.1Å; M100-A103 HydrophobicContact CG-CB 3.53Å; M100-A103 HydrophobicContact SD-CB 3.73Å; P101-A103 PolarHBondContact O-N 2.92Å; P101-A103 VanDerWaalsContact O-N 3.14Å; A103-A176 WeakPolarHBondContact CA-O 3.41Å; A103-Y181 PolarHBondContact N-O 2.64Å; A103-S183 WeakPolarHBondContact O-CB 3.37Å; A103-S183 PolarHBondContact O-N 3.45Å; A103-S183 PolarHBondContact O-OG 2.71Å
104I89.1Confident81.7Confident42 Ų4258.4 Ų58.422%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-108.1146.8175.7-163.6174.2000110.7F175 A176 H178 Y181I104-F175 CarbonylContact O-C 3.59Å; I104-F175 VanDerWaalsContact O-CA 3.32Å; I104-F175 WeakPolarHBondContact O-CA 3.39Å; I104-A176 HydrophobicContact CG2-CB 4.38Å; I104-A176 PolarHBondContact N-O 3.07Å; I104-A176 PolarHBondContact O-N 2.93Å; I104-H178 HydrophobicContact CB-CB 4.17Å; I104-H178 HydrophobicContact CG2-CB 3.59Å; I104-Y181 HydrophobicContact CB-CG 4.19Å; I104-Y181 HydrophobicContact CD1-CD1 3.86Å; I104-Y181 HydrophobicContact CD1-CD2 3.86Å; I104-Y181 HydrophobicContact CD1-CE1 3.89Å; I104-Y181 HydrophobicContact CD1-CE2 3.92Å; I104-Y181 HydrophobicContact CD1-CG 3.83Å; I104-Y181 HydrophobicContact CG1-CD1 4.13Å; I104-Y181 HydrophobicContact CG1-CD2 4.48Å; I104-Y181 HydrophobicContact CG1-CG 4.05Å
105I89.6Confident83.8Confident9 Ų956.3 Ų56.35%0.04634%0.335CS..EExtended strand (participates in β ladder)trans-70.6129.5171.7-172.7175.5000110.8T107 S110 V144 F163 C173 F175I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 HydrophobicContact CG2-CG2 3.98Å; I105-T107 PolarHBondContact O-N 3.11Å; I105-S110 WeakPolarHBondContact CG1-OG 3.45Å; I105-V144 HydrophobicContact CB-CG2 4.3Å; I105-V144 HydrophobicContact CG2-CG2 3.86Å; I105-F163 HydrophobicContact CD1-CB 4.28Å; I105-F163 HydrophobicContact CD1-CD1 3.84Å; I105-F163 HydrophobicContact CD1-CD2 4.26Å; I105-F163 HydrophobicContact CD1-CE1 4.18Å; I105-F163 HydrophobicContact CD1-CG 3.87Å; I105-F163 HydrophobicContact CG2-CD2 4.25Å; I105-F163 HydrophobicContact CG2-CE1 4.32Å; I105-F163 HydrophobicContact CG2-CE2 3.71Å; I105-F163 HydrophobicContact CG2-CZ 3.75Å; I105-C173 HydrophobicContact CD1-CB 4.01Å; I105-C173 WeakPolarHBondContact CD1-SG 3.36Å; I105-C173 HydrophobicContact CG1-CB 4.35Å; I105-F175 HydrophobicContact CB-CD1 4.37Å; I105-F175 HydrophobicContact CB-CE1 4.24Å
106R89.3Confident85.5Confident119 Ų11958.2 Ų58.245%0.44935%0.347SS..  trans-73.187.2167.6-69.8179.359.1159-0108.3K108 D109 S110 K174 A176R106-K108 PolarHBondContact O-N 2.84Å; R106-D109 HydrophobicContact CB-CB 4.27Å; R106-D109 IonicContact CZ-OD2 2.71Å; R106-D109 IonicContact NE-OD2 3.14Å; R106-D109 PolarHBondContact NE-OD2 3.37Å; R106-D109 VanDerWaalsContact NH2-CG 3.27Å; R106-D109 IonicContact NH2-OD1 2.83Å; R106-D109 PolarHBondContact NH2-OD1 3.14Å; R106-D109 IonicContact NH2-OD2 3.93Å; R106-D109 PolarHBondContact NH2-OD2 3.02Å; R106-D109 PolarHBondContact O-N 3Å; R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.08Å; R106-S110 PolarHBondContact O-N 2.85Å; R106-S110 PolarHBondContact O-OG 3.05Å; R106-K174 HydrophobicContact CB-CB 4.32Å; R106-K174 WeakPolarHBondContact CB-O 3.44Å; R106-K174 PolarHBondContact N-O 2.72Å; R106-A176 HydrophobicContact CG-CB 3.81Å
107T86.4Confident86.7Confident70 Ų7062.4 Ų62.443%0.42936%0.362SS..Hα-helixtrans-54.4-53.4-172.151.60000112.3I105 D109 S110 L111 F163I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 HydrophobicContact CG2-CG2 3.98Å; I105-T107 PolarHBondContact O-N 3.11Å; T107-D109 PolarHBondContact O-N 3.04Å; T107-S110 PolarHBondContact O-N 2.84Å; T107-L111 WeakPolarHBondContact O-CB 2.95Å; T107-L111 WeakPolarHBondContact O-CG 3.02Å; T107-L111 PolarHBondContact O-N 2.63Å; T107-F163 HydrophobicContact CG2-CE1 4.16Å; T107-F163 HydrophobicContact CG2-CZ 4.02Å
108K87.3Confident87.3Confident173 Ų17362.6 Ų62.675%0.75237%0.366SS*.Hα-helixtrans-53.7-50.8-180-173.8179.9179.9-177.60112.6R106 A112R106-K108 PolarHBondContact O-N 2.84Å; K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å
109D88Confident87.8Confident51 Ų5166.3 Ų66.327%0.27337%0.368SS..Hα-helixtrans-73.9-32.7-176.6-52.2-74.2000112.8R106 T107 A113 K174R106-D109 HydrophobicContact CB-CB 4.27Å; R106-D109 IonicContact CZ-OD2 2.71Å; R106-D109 IonicContact NE-OD2 3.14Å; R106-D109 PolarHBondContact NE-OD2 3.37Å; R106-D109 VanDerWaalsContact NH2-CG 3.27Å; R106-D109 IonicContact NH2-OD1 2.83Å; R106-D109 PolarHBondContact NH2-OD1 3.14Å; R106-D109 IonicContact NH2-OD2 3.93Å; R106-D109 PolarHBondContact NH2-OD2 3.02Å; R106-D109 PolarHBondContact O-N 3Å; T107-D109 PolarHBondContact O-N 3.04Å; D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3Å; D109-K174 HydrophobicContact CB-CD 4.08Å
110S91.6Very high88Confident1 Ų166 Ų661%0.00737%0.366CS..Hα-helixtrans-70.9-43.7176.9-570000111.1I105 R106 T107 A113 G114 A115 C173 K174I105-S110 WeakPolarHBondContact CG1-OG 3.45Å; R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.08Å; R106-S110 PolarHBondContact O-N 2.85Å; R106-S110 PolarHBondContact O-OG 3.05Å; T107-S110 PolarHBondContact O-N 2.84Å; S110-A113 CarbonylContact O-C 3.58Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.17Å; S110-G114 PolarHBondContact O-N 3.02Å; S110-A115 WeakPolarHBondContact O-CB 3.11Å; S110-A115 PolarHBondContact O-N 3.49Å; S110-C173 WeakPolarHBondContact OG-CA 3.27Å; S110-K174 PolarHBondContact OG-N 3.42Å; S110-K174 PolarHBondContact OG-O 2.01Å
111L89.3Confident88Confident85 Ų8563.2 Ų63.245%0.44535%0.354SS..Hα-helixtrans-62.5-42.6174-67.6173.5000110.9T107 A113 G114 A115T107-L111 WeakPolarHBondContact O-CB 2.95Å; T107-L111 WeakPolarHBondContact O-CG 3.02Å; T107-L111 PolarHBondContact O-N 2.63Å; L111-A113 PolarHBondContact O-N 2.85Å; L111-G114 PolarHBondContact O-N 2.81Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.07Å
112A88.3Confident87.3Confident90 Ų9063.2 Ų63.274%0.74436%0.362SS*.Hα-helixtrans-62.4-30.7174.100000113.1K108 G114K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 3.22Å
113A86.6Confident86.5Confident44 Ų4463 Ų6336%0.36437%0.369SS..THydrogen-bonded Turntrans-81.1-0.3173.500000114.1D109 S110 L111 V172D109-A113 WeakPolarHBondContact O-CB 3.17Å; D109-A113 PolarHBondContact O-N 3Å; S110-A113 CarbonylContact O-C 3.58Å; S110-A113 PolarHBondContact O-N 3.34Å; S110-A113 VanDerWaalsContact O-N 3.17Å; L111-A113 PolarHBondContact O-N 2.85Å; A113-V172 HydrophobicContact CB-CB 3.98Å; A113-V172 HydrophobicContact CB-CG2 4.49Å
114G88.3Confident86.1Confident43 Ų4363 Ų6344%0.44337%0.369SS..THydrogen-bonded Turntrans98.710.5176.600000115.7S110 L111 A112S110-G114 PolarHBondContact O-N 3.02Å; L111-G114 PolarHBondContact O-N 2.81Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 3.22Å
115A92.1Very high85.4Confident9 Ų972 Ų727%0.07440%0.4CS..  trans-67.3162.4165.900000111S110 L111 N164 V172 C173S110-A115 WeakPolarHBondContact O-CB 3.11Å; S110-A115 PolarHBondContact O-N 3.49Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.07Å; A115-N164 CarbonylContact C-O 3.58Å; A115-N164 VanDerWaalsContact CA-O 3.28Å; A115-N164 WeakPolarHBondContact CA-O 3.24Å; A115-N164 WeakPolarHBondContact CB-O 3.4Å; A115-V172 HydrophobicContact CB-CG2 4.24Å; A115-C173 VanDerWaalsContact CB-SG 3.57Å
116S91.4Very high84.8Confident49 Ų4972.6 Ų72.634%0.34341%0.408SS..EExtended strand (participates in β ladder)trans-135.5142.3172.446.50000111.7F163 N164S116-F163 WeakPolarHBondContact O-CA 3.35Å; S116-N164 PolarHBondContact N-O 3.02Å; S116-N164 PolarHBondContact O-N 3.17Å
117F92.3Very high84.3Confident100 Ų10070.9 Ų70.944%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-81.1134169.5173.8-107.5000109.2R119 A120 Y161 L162 F163F117-R119 VanDerWaalsContact CZ-C 3.42Å; F117-A120 HydrophobicContact CZ-CB 4.1Å; F117-Y161 HydrophobicContact CE2-CD1 4.38Å; F117-L162 WeakPolarHBondContact CD2-O 3.48Å; F117-F163 HydrophobicContact CB-CD1 4.08Å; F117-F163 HydrophobicContact CB-CE1 3.92Å; F117-F163 HydrophobicContact CD2-CD1 4.06Å; F117-F163 AromaticContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE2 4.21Å; F117-F163 AromaticContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CE2-CZ 4.36Å; F117-F163 HydrophobicContact CG-CE1 4.24Å
118L89.5Confident84.1Confident50 Ų5073.2 Ų73.226%0.26240%0.403SS..EExtended strand (participates in β ladder)trans-99.2-62.7-176-60.3175000111.3E137 S139 C140 L162 N164L118-E137 HydrophobicContact CD1-CG 4.08Å; L118-S139 WeakPolarHBondContact CD2-OG 3.41Å; L118-C140 VanDerWaalsContact CD1-CA 3.49Å; L118-C140 HydrophobicContact CD1-CB 3.7Å; L118-L162 HydrophobicContact CB-CB 4.31Å; L118-L162 WeakPolarHBondContact CB-O 3.16Å; L118-L162 PolarHBondContact N-O 3.11Å; L118-N164 HydrophobicContact CD1-CB 4.2Å; L118-N164 HydrophobicContact CD2-CB 4.08Å; L118-N164 HydrophobicContact CG-CB 4.25Å
119R88.8Confident84Confident151 Ų15169.9 Ų69.957%0.5739%0.39SS*.EExtended strand (participates in β ladder)trans-164.9154-175.5-172.2172.6-74.9139.5-4.4110.3F117 E137 L162F117-R119 VanDerWaalsContact CZ-C 3.42Å; R119-E137 IonicContact NH1-OE2 3.43Å; R119-L162 WeakPolarHBondContact O-CB 3.42Å; R119-L162 PolarHBondContact O-N 3.16Å
120A87.6Confident83.9Confident48 Ų4867.5 Ų67.540%0.39738%0.377SS..  trans-104.5104.4159.500000108.8F117 C160 Y161F117-A120 HydrophobicContact CZ-CB 4.1Å; A120-C160 WeakPolarHBondContact CA-O 3.24Å; A120-C160 WeakPolarHBondContact CB-O 3.2Å; A120-Y161 HydrophobicContact CB-CD1 3.84Å; A120-Y161 HydrophobicContact CB-CE1 4.16Å
121P83Confident83.6Confident30 Ų3067.7 Ų67.720%0.19538%0.378CS..  trans-58.8144.1172-24.134.6000111.1A123 A133 C160 L162P121-A123 PolarHBondContact O-N 3.43Å; P121-A133 HydrophobicContact CG-CB 4.12Å; P121-C160 WeakPolarHBondContact CD-O 3.46Å; P121-L162 HydrophobicContact CG-CD1 3.76Å; P121-L162 HydrophobicContact CG-CG 4.03Å
122A67.9Low83.4Confident94 Ų9466 Ų6678%0.77738%0.377SS*.SBendtrans-61.9127.3178.300000111.1V124A122-V124 PolarHBondContact O-N 2.92Å
123A64.8Low83.3Confident59 Ų5962.9 Ų62.949%0.48835%0.351SS..  trans39.766.3151.500000116.6P121 V157P121-A123 PolarHBondContact O-N 3.43Å; A123-V157 HydrophobicContact CB-CB 4.37Å; A123-V157 HydrophobicContact CB-CG1 3.33Å; A123-V157 HydrophobicContact CB-CG2 4.1Å
124V77.4Confident83.3Confident5 Ų560.8 Ų60.83%0.0333%0.334CS..BIsolated β-bridgetrans-75.1145.2-178.6-57.60000111.5A122 G126 Q129 C130 L158 C160A122-V124 PolarHBondContact O-N 2.92Å; V124-G126 VanDerWaalsContact C-N 3.32Å; V124-Q129 HydrophobicContact CB-CB 4.2Å; V124-Q129 HydrophobicContact CB-CG 4.33Å; V124-Q129 HydrophobicContact CG1-CB 4.5Å; V124-Q129 HydrophobicContact CG1-CG 4.27Å; V124-C130 HydrophobicContact CG2-CB 4.22Å; V124-L158 HydrophobicContact CG2-CB 3.89Å; V124-L158 PolarHBondContact N-O 2.96Å; V124-L158 PolarHBondContact O-N 3.5Å; V124-C160 HydrophobicContact CG1-CB 3.9Å; V124-C160 HydrophobicContact CG2-CB 3.82Å
125R73.8Confident83.2Confident232 Ų23259.5 Ų59.588%0.87532%0.318SS*.SBendtrans-84.4-4.1-179.3-63.7-175.9-177.3170.81.2114
126G77.3Confident82.8Confident21 Ų2163.6 Ų63.622%0.21635%0.346CS..SBendtrans-175.2153.3-176.500000111.9V124 R128 Q129 L158V124-G126 VanDerWaalsContact C-N 3.32Å; G126-R128 PolarHBondContact O-N 2.79Å; G126-Q129 WeakPolarHBondContact O-CB 3.35Å; G126-Q129 PolarHBondContact O-N 2.57Å; G126-L158 VanDerWaalsContact CA-CD1 3.5Å
127W79Confident82.5Confident84 Ų8463.8 Ų63.832%0.31834%0.341SS..Hα-helixtrans-54.7-38.3179.263.5-93.3000112.7Y97 Q129 C130 V131 V145 Y184Y97-W127 HydrophobicContact CE2-CH2 4.44Å; Y97-W127 HydrophobicContact CE2-CZ3 4.02Å; Y97-W127 AromaticContact CZ-CZ3 3.94Å; W127-Q129 PolarHBondContact O-N 3.49Å; W127-C130 WeakPolarHBondContact O-CA 3.35Å; W127-C130 VanDerWaalsContact O-CB 3.32Å; W127-C130 WeakPolarHBondContact O-CB 3.08Å; W127-C130 PolarHBondContact O-N 2.87Å; W127-V131 HydrophobicContact CE3-CG2 4.17Å; W127-V131 PolarHBondContact O-N 3Å; W127-V145 HydrophobicContact CB-CG1 4.21Å; W127-V145 HydrophobicContact CB-CG2 4.07Å; W127-Y184 HydrophobicContact CB-CE2 4.09Å; W127-Y184 WeakPolarHBondContact CB-OH 3.35Å; W127-Y184 HydrophobicContact CD2-CE1 4.25Å; W127-Y184 HydrophobicContact CE3-CD1 4.31Å; W127-Y184 AromaticContact CE3-CE1 3.58Å; W127-Y184 HydrophobicContact CE3-CE1 3.58Å; W127-Y184 AromaticContact CE3-CZ 3.75Å; W127-Y184 AromaticContact CZ3-CE1 4Å; W127-Y184 HydrophobicContact CZ3-CE1 4Å
128R82.8Confident82Confident118 Ų11864 Ų6445%0.44535%0.353SS..Hα-helixtrans-53.4-38.4176-65.7179.4166.3-84.416.6112.9E87 G126 V131 A132E87-R128 IonicContact OE2-CZ 3.22Å; E87-R128 IonicContact OE2-NH1 2.83Å; E87-R128 PolarHBondContact OE2-NH1 2.79Å; E87-R128 IonicContact OE2-NH2 3.73Å; E87-R128 PolarHBondContact OE2-NH2 2.88Å; G126-R128 PolarHBondContact O-N 2.79Å; R128-V131 PolarHBondContact O-N 3.44Å; R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 2.87Å
129Q84.1Confident81.8Confident104 Ų10463.8 Ų63.849%0.48636%0.355SS..Hα-helixtrans-74.6-28.9179.8-170.2174.128.800111.9V124 G126 W127 A133V124-Q129 HydrophobicContact CB-CB 4.2Å; V124-Q129 HydrophobicContact CB-CG 4.33Å; V124-Q129 HydrophobicContact CG1-CB 4.5Å; V124-Q129 HydrophobicContact CG1-CG 4.27Å; G126-Q129 WeakPolarHBondContact O-CB 3.35Å; G126-Q129 PolarHBondContact O-N 2.57Å; W127-Q129 PolarHBondContact O-N 3.49Å; Q129-A133 WeakPolarHBondContact O-CB 3.47Å; Q129-A133 PolarHBondContact O-N 2.8Å; Q129-A133 VanDerWaalsContact O-N 3.08Å
130C86.5Confident81.8Confident0 Ų056.9 Ų56.90%033%0.33CS..Hα-helixtrans-69.8-44.1171-166.20000111.8V124 W127 A133 C134 V145 C160V124-C130 HydrophobicContact CG2-CB 4.22Å; W127-C130 WeakPolarHBondContact O-CA 3.35Å; W127-C130 VanDerWaalsContact O-CB 3.32Å; W127-C130 WeakPolarHBondContact O-CB 3.08Å; W127-C130 PolarHBondContact O-N 2.87Å; C130-A133 WeakPolarHBondContact O-CB 3.33Å; C130-A133 PolarHBondContact O-N 2.87Å; C130-C134 PolarHBondContact O-N 2.9Å; C130-V145 HydrophobicContact CB-CG2 3.67Å; C130-C160 WeakPolarHBondContact CA-SG 3.31Å; C130-C160 HydrophobicContact CB-CB 3.84Å; C130-C160 WeakPolarHBondContact CB-SG 3.19Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 3.04Å
131V86Confident81.9Confident6 Ų655.1 Ų55.14%0.03632%0.315CS..Hα-helixtrans-62.9-43.8175.4179.10000110.7Y97 W127 R128 A133 C134 C135 Y184Y97-V131 HydrophobicContact CD1-CG1 4Å; Y97-V131 HydrophobicContact CG-CG1 4.2Å; W127-V131 HydrophobicContact CE3-CG2 4.17Å; W127-V131 PolarHBondContact O-N 3Å; R128-V131 PolarHBondContact O-N 3.44Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 3.3Å; V131-C134 CarbonylContact O-C 3.49Å; V131-C134 WeakPolarHBondContact O-CA 3.32Å; V131-C134 WeakPolarHBondContact O-CB 3.46Å; V131-C134 PolarHBondContact O-N 3.38Å; V131-C135 PolarHBondContact O-N 2.79Å; V131-C135 PolarHBondContact O-SG 2.84Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; V131-Y184 HydrophobicContact CG2-CD1 3.93Å; V131-Y184 HydrophobicContact CG2-CD2 4.09Å; V131-Y184 HydrophobicContact CG2-CG 3.68Å
132A84.6Confident82.3Confident50 Ų5053.9 Ų53.941%0.41331%0.307SS..Hα-helixtrans-60.3-39.817500000112.9R128 C134 C135 S136R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 2.87Å; A132-C134 VanDerWaalsContact C-N 3.3Å; A132-C134 PolarHBondContact O-N 3.36Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 2.76Å; A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 VanDerWaalsContact O-N 3.1Å
133A85.4Confident83.4Confident24 Ų2449.4 Ų49.420%0.19827%0.27CS..Hα-helixtrans-61.2-39.417300000111.7P121 Q129 C130 V131 S136 E137 L162P121-A133 HydrophobicContact CG-CB 4.12Å; Q129-A133 WeakPolarHBondContact O-CB 3.47Å; Q129-A133 PolarHBondContact O-N 2.8Å; Q129-A133 VanDerWaalsContact O-N 3.08Å; C130-A133 WeakPolarHBondContact O-CB 3.33Å; C130-A133 PolarHBondContact O-N 2.87Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-A133 PolarHBondContact O-N 3.3Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.95Å; A133-E137 PolarHBondContact O-N 3.48Å; A133-L162 HydrophobicContact CB-CD1 4.23Å
134C87.3Confident84.6Confident0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-66.6-41.8172.8-164.50000112.8C130 V131 A132 S136 E137 C140 A143 L162 L186C130-C134 PolarHBondContact O-N 2.9Å; V131-C134 CarbonylContact O-C 3.49Å; V131-C134 WeakPolarHBondContact O-CA 3.32Å; V131-C134 WeakPolarHBondContact O-CB 3.46Å; V131-C134 PolarHBondContact O-N 3.38Å; A132-C134 VanDerWaalsContact C-N 3.3Å; A132-C134 PolarHBondContact O-N 3.36Å; C134-S136 PolarHBondContact O-N 2.9Å; C134-E137 PolarHBondContact O-N 3.01Å; C134-E137 VanDerWaalsContact O-N 3.14Å; C134-E137 VanDerWaalsContact O-O 3.09Å; C134-C140 WeakPolarHBondContact CA-SG 3.25Å; C134-C140 HydrophobicContact CB-CB 4.02Å; C134-C140 WeakPolarHBondContact CB-SG 3.33Å; C134-C140 WeakPolarHBondContact SG-CB 3.36Å; C134-C140 CovalentContact SG-SG 2.04Å; C134-C140 PolarHBondContact SG-SG 3.17Å; C134-A143 HydrophobicContact CB-CB 3.97Å; C134-L162 HydrophobicContact CB-CD2 3.87Å; C134-L186 HydrophobicContact CB-CD1 4.1Å; C134-L186 HydrophobicContact CB-CD2 4.14Å; C134-L186 VanDerWaalsContact SG-CD1 3.53Å
135C85.7Confident85.2Confident16 Ų1646.6 Ų46.611%0.10825%0.247CC..Hα-helixtrans-55.2-39.3174.5-61.20000111.8C89 V131 A132 R188C89-C135 HydrophobicContact CB-CB 3.7Å; C89-C135 WeakPolarHBondContact CB-SG 3.45Å; C89-C135 WeakPolarHBondContact SG-CB 3.21Å; C89-C135 CovalentContact SG-SG 2.05Å; C89-C135 PolarHBondContact SG-SG 3.4Å; V131-C135 PolarHBondContact O-N 2.79Å; V131-C135 PolarHBondContact O-SG 2.84Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; A132-C135 WeakPolarHBondContact O-CB 3.49Å; A132-C135 PolarHBondContact O-N 2.76Å; C135-R188 PolarHBondContact O-NH2 2.76Å; C135-R188 VanDerWaalsContact O-NH2 3.1Å
136S83.9Confident85.9Confident95 Ų9538.3 Ų38.366%0.66422%0.218SC*.Hα-helixtrans-75.4-19.6-179.1730000114.9A132 A133 C134A132-S136 PolarHBondContact O-N 2.89Å; A132-S136 VanDerWaalsContact O-N 3.1Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.95Å; C134-S136 PolarHBondContact O-N 2.9Å
137E84.8Confident85.9Confident53 Ų5340.7 Ų40.725%0.24823%0.225CC..SBendtrans-97.2112.4-179.1-17569.5-109.900108.8L118 R119 A133 C134 S139 C140L118-E137 HydrophobicContact CD1-CG 4.08Å; R119-E137 IonicContact NH1-OE2 3.43Å; A133-E137 PolarHBondContact O-N 3.48Å; C134-E137 PolarHBondContact O-N 3.01Å; C134-E137 VanDerWaalsContact O-N 3.14Å; C134-E137 VanDerWaalsContact O-O 3.09Å; E137-S139 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact O-N 3.13Å; E137-C140 HydrophobicContact CB-CB 3.77Å; E137-C140 HydrophobicContact CG-CB 3.97Å; E137-C140 WeakPolarHBondContact O-CB 3.22Å; E137-C140 PolarHBondContact O-N 3.13Å
138P81.6Confident85.5Confident105 Ų10539.2 Ų39.268%0.68223%0.226SC*.THydrogen-bonded Turntrans-65.3-24-16825.1-35.4000113.9
139S86.4Confident84.6Confident44 Ų4443 Ų4331%0.30824%0.241SC..THydrogen-bonded Turntrans-91.7-5.6176.759.70000113.8L118 E137 N164L118-S139 WeakPolarHBondContact CD2-OG 3.41Å; E137-S139 PolarHBondContact O-N 3.13Å; E137-S139 VanDerWaalsContact O-N 3.13Å; S139-N164 WeakPolarHBondContact O-CB 3.36Å; S139-N164 PolarHBondContact O-OD1 2.81Å
140C88.2Confident83.5Confident6 Ų649.5 Ų49.54%0.04126%0.261CS..  trans-80.4129.6-178.2-170.80000111.3L118 C134 E137L118-C140 VanDerWaalsContact CD1-CA 3.49Å; L118-C140 HydrophobicContact CD1-CB 3.7Å; C134-C140 WeakPolarHBondContact CA-SG 3.25Å; C134-C140 HydrophobicContact CB-CB 4.02Å; C134-C140 WeakPolarHBondContact CB-SG 3.33Å; C134-C140 WeakPolarHBondContact SG-CB 3.36Å; C134-C140 CovalentContact SG-SG 2.04Å; C134-C140 PolarHBondContact SG-SG 3.17Å; E137-C140 HydrophobicContact CB-CB 3.77Å; E137-C140 HydrophobicContact CG-CB 3.97Å; E137-C140 WeakPolarHBondContact O-CB 3.22Å; E137-C140 PolarHBondContact O-N 3.13Å
141S88.8Confident81.9Confident11 Ų1155.8 Ų55.88%0.07730%0.302CS..  trans-125.2-19.1176.972.40000112.9F163 C165 S185 L186S141-F163 PolarHBondContact N-O 2.86Å; S141-C165 WeakPolarHBondContact OG-CB 3.38Å; S141-C165 PolarHBondContact OG-N 2.74Å; S141-S185 CarbonylContact O-C 3.48Å; S141-S185 WeakPolarHBondContact O-CA 3.05Å; S141-L186 PolarHBondContact O-N 2.92Å
142V91.3Very high80.1Confident5 Ų558 Ų583%0.0332%0.318CS..EExtended strand (participates in β ladder)trans-137.8131.4176.1175.50000110.4V144 F163 C165 F175 Y184V142-V144 HydrophobicContact CG1-CG2 4.16Å; V142-F163 HydrophobicContact CB-CB 4.48Å; V142-F163 PolarHBondContact N-O 3.36Å; V142-F163 PolarHBondContact O-N 3.05Å; V142-C165 HydrophobicContact CG2-CB 4Å; V142-C165 WeakPolarHBondContact CG2-SG 3.37Å; V142-F175 HydrophobicContact CG1-CE1 4.19Å; V142-F175 HydrophobicContact CG1-CZ 4.2Å; V142-F175 HydrophobicContact CG2-CZ 4.28Å; V142-Y184 CarbonylContact C-O 3.58Å; V142-Y184 VanDerWaalsContact CA-O 3.28Å; V142-Y184 WeakPolarHBondContact CA-O 3.38Å
143A91.1Very high78.6Confident0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans-112.6127.4170.700000109.7C134 L162 S183 Y184C134-A143 HydrophobicContact CB-CB 3.97Å; A143-L162 HydrophobicContact CB-CD2 3.73Å; A143-S183 CarbonylContact O-C 3.58Å; A143-S183 WeakPolarHBondContact O-CA 3.45Å; A143-Y184 PolarHBondContact N-O 2.75Å; A143-Y184 PolarHBondContact O-N 3.47Å
144V91.3Very high77.1Confident2 Ų266.2 Ų66.21%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-108.5128.9175.9-174.90000108.9I105 V142 C160 Y161 F163 Y181I105-V144 HydrophobicContact CB-CG2 4.3Å; I105-V144 HydrophobicContact CG2-CG2 3.86Å; V142-V144 HydrophobicContact CG1-CG2 4.16Å; V144-C160 WeakPolarHBondContact O-CA 3.21Å; V144-Y161 PolarHBondContact N-O 2.91Å; V144-Y161 PolarHBondContact O-N 2.86Å; V144-F163 HydrophobicContact CG2-CD2 4.11Å; V144-F163 HydrophobicContact CG2-CE2 4.06Å; V144-Y181 HydrophobicContact CG1-CD1 4.12Å
145V89.6Confident75.5Confident3 Ų370.2 Ų70.22%0.01840%0.398CS..EExtended strand (participates in β ladder)trans-113.1126-179.4-177.60000109.1W127 C130 L158 G159 Y181 S182 Y184W127-V145 HydrophobicContact CB-CG1 4.21Å; W127-V145 HydrophobicContact CB-CG2 4.07Å; C130-V145 HydrophobicContact CB-CG2 3.67Å; V145-L158 HydrophobicContact CG1-CB 4.13Å; V145-L158 HydrophobicContact CG1-CD1 3.94Å; V145-G159 WeakPolarHBondContact CA-O 3.25Å; V145-Y181 WeakPolarHBondContact O-CA 3.31Å; V145-S182 PolarHBondContact N-O 3.44Å; V145-S182 PolarHBondContact O-N 2.65Å; V145-Y184 HydrophobicContact CB-CE2 4.17Å; V145-Y184 HydrophobicContact CG2-CD2 3.99Å; V145-Y184 HydrophobicContact CG2-CE2 3.7Å
146E87.4Confident74.2Confident57 Ų5771.1 Ų71.127%0.26641%0.406SS..EExtended strand (participates in β ladder)trans-89.2125.2171.9-174.7176.1-173.700109.6L158 G159 Y161 Y181E146-L158 VanDerWaalsContact O-CD2 3.31Å; E146-L158 WeakPolarHBondContact O-CD2 3.28Å; E146-G159 PolarHBondContact N-O 2.86Å; E146-Y161 HydrophobicContact CB-CE2 4.33Å; E146-Y161 PolarHBondContact OE2-OH 3.05Å; E146-Y181 HydrophobicContact CB-CD1 3.97Å; E146-Y181 HydrophobicContact CB-CE1 3.66Å; E146-Y181 HydrophobicContact CG-CD1 4.19Å; E146-Y181 HydrophobicContact CG-CE1 3.62Å; E146-Y181 PolarHBondContact OE1-OH 2.87Å
147L78.6Confident73.2Confident71 Ų7171 Ų7137%0.37240%0.401SS..PPolyproline II helixtrans-89.2147.5179.6-69.187.9000110.8R149 G180L147-R149 PolarHBondContact O-N 3.22Å; L147-G180 PolarHBondContact N-O 2.81Å
148P71.1Confident72.8Confident53 Ų5369.5 Ų69.534%0.34440%0.395SS..PPolyproline II helixtrans-72128.7-174.7-9.827.5000110.3R150 A156 L158P148-R150 PolarHBondContact O-N 2.87Å; P148-A156 HydrophobicContact CB-CB 3.82Å; P148-A156 HydrophobicContact CG-CB 3.57Å; P148-L158 VanDerWaalsContact CD-CD2 3.44Å; P148-L158 HydrophobicContact CG-CD2 3.61Å
149R62.7Low72.9Confident198 Ų19865.4 Ų65.475%0.74737%0.371SS*.PPolyproline II helixtrans-67.5116.3167.4-62.9-175-178.8-165.5-0.9108.3L147L147-R149 PolarHBondContact O-N 3.22Å
150R62.5Low73Confident240 Ų24063.4 Ų63.491%0.90636%0.357SS*.SBendtrans-59.9146.4175.3-72.7-172.2-177.7-177.23.1110.2P148P148-R150 PolarHBondContact O-N 2.87Å
151P52.6Low73.2Confident133 Ų13366.8 Ų66.886%0.86437%0.37SS*.SBendcis-96.1117.72.334.3-28.5000112.5
152S47.4Very low73.3Confident53 Ų5366.5 Ų66.537%0.37137%0.367SS..  trans-109143.4177.357.30000111.7A156S152-A156 WeakPolarHBondContact OG-CB 3.19Å
153P53.6Low73.4Confident99 Ų9966.9 Ų66.964%0.64337%0.369SS*.  trans-61.8166177.524.8-33.8000113.3A155 A156P153-A155 PolarHBondContact O-N 2.89Å; P153-A156 PolarHBondContact O-N 2.82Å
154P53.8Low73.4Confident146 Ų14668.1 Ų68.195%0.94838%0.376SS*.THydrogen-bonded Turntrans-67.311.6-167.927.2-37.4000117
155A53.8Low73.4Confident85 Ų8568.1 Ų68.170%0.70238%0.375SS*.THydrogen-bonded Turntrans-134.248.5173.200000110P153 V157P153-A155 PolarHBondContact O-N 2.89Å; A155-V157 PolarHBondContact O-N 3.32Å
156A57.2Low73.3Confident35 Ų3571.1 Ų71.129%0.28939%0.394SS..  trans-63.9102.6179.200000110.6P148 S152 P153P148-A156 HydrophobicContact CB-CB 3.82Å; P148-A156 HydrophobicContact CG-CB 3.57Å; S152-A156 WeakPolarHBondContact OG-CB 3.19Å; P153-A156 PolarHBondContact O-N 2.82Å
157V63.6Low73.1Confident92 Ų9269.5 Ų69.556%0.55839%0.39SS*.PPolyproline II helixtrans-60.5129.6172.51650000109.6A123 A155A123-V157 HydrophobicContact CB-CB 4.37Å; A123-V157 HydrophobicContact CB-CG1 3.33Å; A123-V157 HydrophobicContact CB-CG2 4.1Å; A155-V157 PolarHBondContact O-N 3.32Å
158L76Confident73.1Confident21 Ų2178.5 Ų78.511%0.1142%0.419CS..BIsolated β-bridgetrans-92.8140.3174.5-55.8173.6000110.4V124 G126 V145 E146 P148V124-L158 HydrophobicContact CG2-CB 3.89Å; V124-L158 PolarHBondContact N-O 2.96Å; V124-L158 PolarHBondContact O-N 3.5Å; G126-L158 VanDerWaalsContact CA-CD1 3.5Å; V145-L158 HydrophobicContact CG1-CB 4.13Å; V145-L158 HydrophobicContact CG1-CD1 3.94Å; E146-L158 VanDerWaalsContact O-CD2 3.31Å; E146-L158 WeakPolarHBondContact O-CD2 3.28Å; P148-L158 VanDerWaalsContact CD-CD2 3.44Å; P148-L158 HydrophobicContact CG-CD2 3.61Å
159G84.2Confident73.3Confident19 Ų1979.7 Ų79.720%0.19644%0.441CS..EExtended strand (participates in β ladder)trans-69.1138.116500000110V145 E146V145-G159 WeakPolarHBondContact CA-O 3.25Å; E146-G159 PolarHBondContact N-O 2.86Å
160C89.2Confident74.1Confident2 Ų279.7 Ų79.71%0.01444%0.441CS..EExtended strand (participates in β ladder)trans-134.1126.3177.7173.90000109.2A120 P121 V124 C130 V144A120-C160 WeakPolarHBondContact CA-O 3.24Å; A120-C160 WeakPolarHBondContact CB-O 3.2Å; P121-C160 WeakPolarHBondContact CD-O 3.46Å; V124-C160 HydrophobicContact CG1-CB 3.9Å; V124-C160 HydrophobicContact CG2-CB 3.82Å; C130-C160 WeakPolarHBondContact CA-SG 3.31Å; C130-C160 HydrophobicContact CB-CB 3.84Å; C130-C160 WeakPolarHBondContact CB-SG 3.19Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 3.04Å; V144-C160 WeakPolarHBondContact O-CA 3.21Å
161Y91.1Very high75.2Confident78 Ų7874.6 Ų74.631%0.30643%0.432SS..EExtended strand (participates in β ladder)trans-132.2122.6-174.9-53.4-85.8000109.8F117 A120 V144 E146F117-Y161 HydrophobicContact CE2-CD1 4.38Å; A120-Y161 HydrophobicContact CB-CD1 3.84Å; A120-Y161 HydrophobicContact CB-CE1 4.16Å; V144-Y161 PolarHBondContact N-O 2.91Å; V144-Y161 PolarHBondContact O-N 2.86Å; E146-Y161 HydrophobicContact CB-CE2 4.33Å; E146-Y161 PolarHBondContact OE2-OH 3.05Å
162L91.6Very high77Confident4 Ų469.9 Ų69.92%0.02140%0.4CS..EExtended strand (participates in β ladder)trans-104.8132-175.5-56.9-173.9000111.1F117 L118 R119 P121 A133 C134 A143F117-L162 WeakPolarHBondContact CD2-O 3.48Å; L118-L162 HydrophobicContact CB-CB 4.31Å; L118-L162 WeakPolarHBondContact CB-O 3.16Å; L118-L162 PolarHBondContact N-O 3.11Å; R119-L162 WeakPolarHBondContact O-CB 3.42Å; R119-L162 PolarHBondContact O-N 3.16Å; P121-L162 HydrophobicContact CG-CD1 3.76Å; P121-L162 HydrophobicContact CG-CG 4.03Å; A133-L162 HydrophobicContact CB-CD1 4.23Å; C134-L162 HydrophobicContact CB-CD2 3.87Å; A143-L162 HydrophobicContact CB-CD2 3.73Å
163F92.3Very high79Confident13 Ų1368.3 Ų68.36%0.05739%0.389CS..EExtended strand (participates in β ladder)trans-129.3144-178-65.9-93.6000111.4I105 T107 S116 F117 S141 V142 V144I105-F163 HydrophobicContact CD1-CB 4.28Å; I105-F163 HydrophobicContact CD1-CD1 3.84Å; I105-F163 HydrophobicContact CD1-CD2 4.26Å; I105-F163 HydrophobicContact CD1-CE1 4.18Å; I105-F163 HydrophobicContact CD1-CG 3.87Å; I105-F163 HydrophobicContact CG2-CD2 4.25Å; I105-F163 HydrophobicContact CG2-CE1 4.32Å; I105-F163 HydrophobicContact CG2-CE2 3.71Å; I105-F163 HydrophobicContact CG2-CZ 3.75Å; T107-F163 HydrophobicContact CG2-CE1 4.16Å; T107-F163 HydrophobicContact CG2-CZ 4.02Å; S116-F163 WeakPolarHBondContact O-CA 3.35Å; F117-F163 HydrophobicContact CB-CD1 4.08Å; F117-F163 HydrophobicContact CB-CE1 3.92Å; F117-F163 HydrophobicContact CD2-CD1 4.06Å; F117-F163 AromaticContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE1 3.64Å; F117-F163 HydrophobicContact CD2-CE2 4.21Å; F117-F163 AromaticContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CD2-CZ 3.73Å; F117-F163 HydrophobicContact CE2-CZ 4.36Å; F117-F163 HydrophobicContact CG-CE1 4.24Å; S141-F163 PolarHBondContact N-O 2.86Å; V142-F163 HydrophobicContact CB-CB 4.48Å; V142-F163 PolarHBondContact N-O 3.36Å; V142-F163 PolarHBondContact O-N 3.05Å; V144-F163 HydrophobicContact CG2-CD2 4.11Å; V144-F163 HydrophobicContact CG2-CE2 4.06Å
164N92.4Very high80.7Confident27 Ų2769 Ų6914%0.14438%0.382CS..EExtended strand (participates in β ladder)trans-95.3111.4160.7-177.10.5000108.5A115 S116 L118 S139 T166A115-N164 CarbonylContact C-O 3.58Å; A115-N164 VanDerWaalsContact CA-O 3.28Å; A115-N164 WeakPolarHBondContact CA-O 3.24Å; A115-N164 WeakPolarHBondContact CB-O 3.4Å; S116-N164 PolarHBondContact N-O 3.02Å; S116-N164 PolarHBondContact O-N 3.17Å; L118-N164 HydrophobicContact CD1-CB 4.2Å; L118-N164 HydrophobicContact CD2-CB 4.08Å; L118-N164 HydrophobicContact CG-CB 4.25Å; S139-N164 WeakPolarHBondContact O-CB 3.36Å; S139-N164 PolarHBondContact O-OD1 2.81Å; N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 PolarHBondContact OD1-OG1 2.8Å
165C90Very high82.4Confident1 Ų165.3 Ų65.31%0.00735%0.351CS..  trans-99.45.8178.3-670000113S141 V142 N171 V172 C173S141-C165 WeakPolarHBondContact OG-CB 3.38Å; S141-C165 PolarHBondContact OG-N 2.74Å; V142-C165 HydrophobicContact CG2-CB 4Å; V142-C165 WeakPolarHBondContact CG2-SG 3.37Å; C165-N171 CarbonylContact O-C 3.54Å; C165-N171 WeakPolarHBondContact O-CA 3.37Å; C165-V172 WeakPolarHBondContact O-CG2 3.43Å; C165-V172 PolarHBondContact O-N 2.96Å; C165-C173 WeakPolarHBondContact CA-SG 3.28Å; C165-C173 HydrophobicContact CB-CB 3.62Å; C165-C173 WeakPolarHBondContact CB-SG 3.15Å; C165-C173 WeakPolarHBondContact SG-CB 3.34Å; C165-C173 CovalentContact SG-SG 2.01Å; C165-C173 PolarHBondContact SG-SG 2.84Å
166T87.9Confident84Confident67 Ų6763.1 Ų63.141%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-94.9114.2-178.766.70000110.7N164 R170N164-T166 PolarHBondContact OD1-N 2.96Å; N164-T166 PolarHBondContact OD1-OG1 2.8Å; T166-R170 WeakPolarHBondContact CA-O 3.4Å
167A83.4Confident85.5Confident22 Ų2268.7 Ų68.718%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-125.6126.9171.400000108.9G169 R170 V172A167-G169 PolarHBondContact O-N 3.13Å; A167-G169 VanDerWaalsContact O-N 3.13Å; A167-R170 PolarHBondContact N-O 3.5Å; A167-R170 PolarHBondContact O-N 2.99Å; A167-V172 HydrophobicContact CB-CB 4.42Å; A167-V172 HydrophobicContact CB-CG1 3.85Å; A167-V172 HydrophobicContact CB-CG2 3.69Å
168R79.1Confident86.3Confident260 Ų26066.7 Ų66.798%0.98134%0.342SS*.THydrogen-bonded Turntrans50.835.6-177.3-54.2-178.6-179.7-175.3-0.1113.7
169G75.4Confident86.6Confident78 Ų7875.5 Ų75.580%0.80437%0.374SS*.THydrogen-bonded Turntrans76.114.9-179.800000115.6A167A167-G169 PolarHBondContact O-N 3.13Å; A167-G169 VanDerWaalsContact O-N 3.13Å
170R79.4Confident86.5Confident198 Ų19875.7 Ų75.775%0.74738%0.376SS*.EExtended strand (participates in β ladder)trans-126.1152.5175.6-61.5-173.4-179.1-158.6-0.4111.4T166 A167 V172T166-R170 WeakPolarHBondContact CA-O 3.4Å; A167-R170 PolarHBondContact N-O 3.5Å; A167-R170 PolarHBondContact O-N 2.99Å; R170-V172 PolarHBondContact O-N 2.91Å
171N85.1Confident86.3Confident133 Ų13377.6 Ų77.671%0.71138%0.383SS*.EExtended strand (participates in β ladder)trans-75.2119171.8-67.9-34000109.7C165C165-N171 CarbonylContact O-C 3.54Å; C165-N171 WeakPolarHBondContact O-CA 3.37Å
172V89.6Confident86.2Confident34 Ų3474.5 Ų74.521%0.20637%0.373CS..  trans-112.7-4.1-177.3-65.60000114.6A113 A115 C165 A167 R170A113-V172 HydrophobicContact CB-CB 3.98Å; A113-V172 HydrophobicContact CB-CG2 4.49Å; A115-V172 HydrophobicContact CB-CG2 4.24Å; C165-V172 WeakPolarHBondContact O-CG2 3.43Å; C165-V172 PolarHBondContact O-N 2.96Å; A167-V172 HydrophobicContact CB-CB 4.42Å; A167-V172 HydrophobicContact CB-CG1 3.85Å; A167-V172 HydrophobicContact CB-CG2 3.69Å; R170-V172 PolarHBondContact O-N 2.91Å
173C89.4Confident86.1Confident20 Ų2074.5 Ų74.514%0.13537%0.373CS..  trans-70136.7177.4-74.50000112.2I105 S110 A115 C165 F175I105-C173 HydrophobicContact CD1-CB 4.01Å; I105-C173 WeakPolarHBondContact CD1-SG 3.36Å; I105-C173 HydrophobicContact CG1-CB 4.35Å; S110-C173 WeakPolarHBondContact OG-CA 3.27Å; A115-C173 VanDerWaalsContact CB-SG 3.57Å; C165-C173 WeakPolarHBondContact CA-SG 3.28Å; C165-C173 HydrophobicContact CB-CB 3.62Å; C165-C173 WeakPolarHBondContact CB-SG 3.15Å; C165-C173 WeakPolarHBondContact SG-CB 3.34Å; C165-C173 CovalentContact SG-SG 2.01Å; C165-C173 PolarHBondContact SG-SG 2.84Å; C173-F175 HydrophobicContact CB-CE2 4.14Å; C173-F175 HydrophobicContact CB-CZ 4.15Å
174K90.1Very high85.9Confident113 Ų11375 Ų7549%0.49138%0.375SS..  trans-105.7139.6174.3-61.1-174.7-176.5-179.50109R106 D109 S110R106-K174 HydrophobicContact CB-CB 4.32Å; R106-K174 WeakPolarHBondContact CB-O 3.44Å; R106-K174 PolarHBondContact N-O 2.72Å; D109-K174 HydrophobicContact CB-CD 4.08Å; S110-K174 PolarHBondContact OG-N 3.42Å; S110-K174 PolarHBondContact OG-O 2.01Å
175F90.6Very high85.7Confident69 Ų6975.8 Ų75.830%0.30338%0.383SS..EExtended strand (participates in β ladder)trans-112.3159.5-179.7-61.6-87.2000111M100 I104 I105 V142 C173M100-F175 HydrophobicContact SD-CB 4.17Å; M100-F175 HydrophobicContact SD-CD1 4.5Å; M100-F175 HydrophobicContact SD-CD2 4.38Å; M100-F175 HydrophobicContact SD-CG 4.1Å; I104-F175 CarbonylContact O-C 3.59Å; I104-F175 VanDerWaalsContact O-CA 3.32Å; I104-F175 WeakPolarHBondContact O-CA 3.39Å; I105-F175 HydrophobicContact CB-CD1 4.37Å; I105-F175 HydrophobicContact CB-CE1 4.24Å; V142-F175 HydrophobicContact CG1-CE1 4.19Å; V142-F175 HydrophobicContact CG1-CZ 4.2Å; V142-F175 HydrophobicContact CG2-CZ 4.28Å; C173-F175 HydrophobicContact CB-CE2 4.14Å; C173-F175 HydrophobicContact CB-CZ 4.15Å
176A86.7Confident85.4Confident39 Ų3977 Ų7732%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-135.1147.2170.700000109.1A103 I104 R106 H178A103-A176 WeakPolarHBondContact CA-O 3.41Å; I104-A176 HydrophobicContact CG2-CB 4.38Å; I104-A176 PolarHBondContact N-O 3.07Å; I104-A176 PolarHBondContact O-N 2.93Å; R106-A176 HydrophobicContact CG-CB 3.81Å; A176-H178 PolarHBondContact O-N 3.22Å
177L87.9Confident84.6Confident153 Ų15377.4 Ų77.480%0.80140%0.395SS*.EExtended strand (participates in β ladder)trans-71.9116.9175.4-168.279.4000109.1D102D102-L177 HydrophobicContact CB-CD1 4.23Å; D102-L177 CarbonylContact O-C 3.48Å; D102-L177 WeakPolarHBondContact O-CA 3.42Å; D102-L177 WeakPolarHBondContact O-CD1 3.34Å
178H81.7Confident83.8Confident49 Ų4983.2 Ų83.223%0.22741%0.412CS..  trans-145.9117175.1-165.8-55.1000110.7D102 I104 A176 Y181D102-H178 CarbonylContact C-O 3.56Å; D102-H178 CarbonylContact O-C 3.47Å; D102-H178 PolarHBondContact O-N 2.68Å; I104-H178 HydrophobicContact CB-CB 4.17Å; I104-H178 HydrophobicContact CG2-CB 3.59Å; A176-H178 PolarHBondContact O-N 3.22Å; H178-Y181 AromaticContact ND1-CD2 3.83Å; H178-Y181 PolarHBondContact O-N 3.04Å
179R81.1Confident82.6Confident206 Ų20673.8 Ų73.878%0.77739%0.389SS*.THydrogen-bonded Turntrans-61.7139.5177.9-69-177.7177.6175.60.4111.8D102D102-R179 WeakPolarHBondContact OD1-CA 3.37Å
180G82.1Confident81.4Confident24 Ų2474.9 Ų74.925%0.24738%0.382CS..THydrogen-bonded Turntrans88.17.6-17800000114.9D102 L147D102-G180 PolarHBondContact OD1-N 2.83Å; L147-G180 PolarHBondContact N-O 2.81Å
181Y86.3Confident79.7Confident41 Ų4173 Ų7316%0.16139%0.387CS..EExtended strand (participates in β ladder)trans-128.8140.5167.3-70.3-91.5000109.8D102 A103 I104 V144 V145 E146 H178D102-Y181 CarbonylContact C-O 3.54Å; D102-Y181 WeakPolarHBondContact CA-O 3.37Å; D102-Y181 PolarHBondContact N-O 3.15Å; D102-Y181 VanDerWaalsContact N-O 3.14Å; A103-Y181 PolarHBondContact N-O 2.64Å; I104-Y181 HydrophobicContact CB-CG 4.19Å; I104-Y181 HydrophobicContact CD1-CD1 3.86Å; I104-Y181 HydrophobicContact CD1-CD2 3.86Å; I104-Y181 HydrophobicContact CD1-CE1 3.89Å; I104-Y181 HydrophobicContact CD1-CE2 3.92Å; I104-Y181 HydrophobicContact CD1-CG 3.83Å; I104-Y181 HydrophobicContact CG1-CD1 4.13Å; I104-Y181 HydrophobicContact CG1-CD2 4.48Å; I104-Y181 HydrophobicContact CG1-CG 4.05Å; V144-Y181 HydrophobicContact CG1-CD1 4.12Å; V145-Y181 WeakPolarHBondContact O-CA 3.31Å; E146-Y181 HydrophobicContact CB-CD1 3.97Å; E146-Y181 HydrophobicContact CB-CE1 3.66Å; E146-Y181 HydrophobicContact CG-CD1 4.19Å; E146-Y181 HydrophobicContact CG-CE1 3.62Å; E146-Y181 PolarHBondContact OE1-OH 2.87Å; H178-Y181 AromaticContact ND1-CD2 3.83Å; H178-Y181 PolarHBondContact O-N 3.04Å
182S87.8Confident78Confident14 Ų1470.4 Ų70.410%0.09839%0.392CS..EExtended strand (participates in β ladder)trans-127.2134.7170.3-67.60000109.3V145V145-S182 PolarHBondContact N-O 3.44Å; V145-S182 PolarHBondContact O-N 2.65Å
183S90.4Very high75.7Confident3 Ų372.8 Ų72.82%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-110.6144177.747.90000111.3M100 A103 A143M100-S183 PolarHBondContact N-O 3.21Å; M100-S183 PolarHBondContact O-N 3.06Å; A103-S183 WeakPolarHBondContact O-CB 3.37Å; A103-S183 PolarHBondContact O-N 3.45Å; A103-S183 PolarHBondContact O-OG 2.71Å; A143-S183 CarbonylContact O-C 3.58Å; A143-S183 WeakPolarHBondContact O-CA 3.45Å
184Y88.8Confident73.4Confident23 Ų2376.3 Ų76.39%0.0945%0.445CS..EExtended strand (participates in β ladder)trans-128117.9-176.6-60.6-93.8000108Y97 S98 A99 W127 V131 V142 A143 V145Y97-Y184 HydrophobicContact CD2-CD1 4.16Å; S98-Y184 WeakPolarHBondContact O-CA 3.47Å; A99-Y184 HydrophobicContact CB-CD1 3.67Å; A99-Y184 HydrophobicContact CB-CE1 3.64Å; W127-Y184 HydrophobicContact CB-CE2 4.09Å; W127-Y184 WeakPolarHBondContact CB-OH 3.35Å; W127-Y184 HydrophobicContact CD2-CE1 4.25Å; W127-Y184 HydrophobicContact CE3-CD1 4.31Å; W127-Y184 AromaticContact CE3-CE1 3.58Å; W127-Y184 HydrophobicContact CE3-CE1 3.58Å; W127-Y184 AromaticContact CE3-CZ 3.75Å; W127-Y184 AromaticContact CZ3-CE1 4Å; W127-Y184 HydrophobicContact CZ3-CE1 4Å; V131-Y184 HydrophobicContact CG2-CD1 3.93Å; V131-Y184 HydrophobicContact CG2-CD2 4.09Å; V131-Y184 HydrophobicContact CG2-CG 3.68Å; V142-Y184 CarbonylContact C-O 3.58Å; V142-Y184 VanDerWaalsContact CA-O 3.28Å; V142-Y184 WeakPolarHBondContact CA-O 3.38Å; A143-Y184 PolarHBondContact N-O 2.75Å; A143-Y184 PolarHBondContact O-N 3.47Å; V145-Y184 HydrophobicContact CB-CE2 4.17Å; V145-Y184 HydrophobicContact CG2-CD2 3.99Å; V145-Y184 HydrophobicContact CG2-CE2 3.7Å
185S88.3Confident71.4Confident45 Ų4578.2 Ų78.232%0.31546%0.46SS..EExtended strand (participates in β ladder)trans-99.9135.817859.50000110.6Y97 S98 S141Y97-S185 CarbonylContact C-O 3.57Å; Y97-S185 WeakPolarHBondContact CA-O 3.5Å; S98-S185 PolarHBondContact N-O 3.49Å; S98-S185 PolarHBondContact O-N 2.8Å; S98-S185 PolarHBondContact O-OG 3.34Å; S141-S185 CarbonylContact O-C 3.48Å; S141-S185 WeakPolarHBondContact O-CA 3.05Å
186L83.3Confident68.9Low26 Ų2679.3 Ų79.314%0.13648%0.481CS..EExtended strand (participates in β ladder)trans-100129-179.4-77.270.3000110C134 S141C134-L186 HydrophobicContact CB-CD1 4.1Å; C134-L186 HydrophobicContact CB-CD2 4.14Å; C134-L186 VanDerWaalsContact SG-CD1 3.53Å; S141-L186 PolarHBondContact O-N 2.92Å
187S70.1Confident66.9Low76 Ų7682.9 Ų82.953%0.53150%0.5SS..  trans-97.988.9171.650.30000110.2G95 G96 A189G95-S187 WeakPolarHBondContact CA-O 3.42Å; G96-S187 PolarHBondContact O-N 2.87Å; G96-S187 PolarHBondContact O-OG 2.83Å; S187-A189 PolarHBondContact O-N 2.87Å
188R66.1Low64.7Low144 Ų14479.3 Ų79.354%0.54349%0.492SS..  trans-78.9110.5172.4-139.1174.9-157.3116.27.5108.8C135C135-R188 PolarHBondContact O-NH2 2.76Å; C135-R188 VanDerWaalsContact O-NH2 3.1Å
189A53.9Low62.8Low61 Ų6188.3 Ų88.350%0.50452%0.524SS..  trans-64.4130.4171.500000109S187 D191S187-A189 PolarHBondContact O-N 2.87Å; A189-D191 PolarHBondContact O-N 3.3Å
190P50.2Low61Low101 Ų10183.4 Ų83.466%0.65653%0.528SS*.  trans-70.9130.4174.528.2-32.6000110G192 A193P190-G192 PolarHBondContact O-N 3.09Å; P190-G192 VanDerWaalsContact O-N 3.08Å; P190-A193 PolarHBondContact O-N 3.49Å
191D44.8Very low59.2Low160 Ų16086.4 Ų86.486%0.85655%0.545SS*.THydrogen-bonded Turntrans-56113.7175.9-63-52.4000110.2A189A189-D191 PolarHBondContact O-N 3.3Å
192G48.8Very low57.2Low78 Ų7890.4 Ų90.480%0.80458%0.576SS**THydrogen-bonded Turntrans124.7-4.7177.400000116.6P190 A194P190-G192 PolarHBondContact O-N 3.09Å; P190-G192 VanDerWaalsContact O-N 3.08Å; G192-A194 PolarHBondContact O-N 2.95Å; G192-A194 VanDerWaalsContact O-N 3.12Å
193A42Very low55.4Low84 Ų84100.6 Ų100.669%0.69461%0.612SS**  trans-73.8100.8168.500000110.4P190P190-A193 PolarHBondContact O-N 3.49Å
194A40.4Very low53.7Low93 Ų93108.2 Ų108.277%0.76965%0.652SS**  trans-56.4149.4-178.200000113.1G192 A196G192-A194 PolarHBondContact O-N 2.95Å; G192-A194 VanDerWaalsContact O-N 3.12Å; A194-A196 PolarHBondContact O-N 3.47Å
195L48.5Very low52.4Low154 Ų154115.6 Ų115.681%0.80669%0.687SS**  trans-57.985.2-174.7-170.181.9000113.4T197L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 HydrophobicContact CD1-CG2 4.42Å; L195-T197 HydrophobicContact CD2-CG2 3.73Å; L195-T197 HydrophobicContact CG-CG2 3.83Å; L195-T197 PolarHBondContact O-N 3.24Å
196A38.5Very low52Low91 Ų91122.6 Ų122.675%0.75271%0.712SS**  trans-75.487.516100000108.6A194 A198A194-A196 PolarHBondContact O-N 3.47Å; A196-A198 PolarHBondContact O-N 3.35Å
197T43.7Very low52.1Low115 Ų115122.7 Ų122.771%0.70671%0.713SS**  trans-6672.4165.147.10000110.2L195 R199L195-T197 VanDerWaalsContact C-N 3.32Å; L195-T197 HydrophobicContact CD1-CG2 4.42Å; L195-T197 HydrophobicContact CD2-CG2 3.73Å; L195-T197 HydrophobicContact CG-CG2 3.83Å; L195-T197 PolarHBondContact O-N 3.24Å; T197-R199 VanDerWaalsContact C-N 3.32Å; T197-R199 PolarHBondContact O-N 3.17Å
198A41.8Very low52.9Low78 Ų78121.1 Ų121.165%0.64570%0.704SS**  trans-67.697.2160.700000107A196 A200A196-A198 PolarHBondContact O-N 3.35Å; A198-A200 PolarHBondContact O-N 2.82Å; A198-A200 VanDerWaalsContact O-N 3.09Å
199R41.2Very low54Low237 Ų237118.1 Ų118.189%0.89470%0.704SS**  trans-44.9120.1164.9-108.3175.4170.8154.6-4.1107.7T197 S201T197-R199 VanDerWaalsContact C-N 3.32Å; T197-R199 PolarHBondContact O-N 3.17Å; R199-S201 PolarHBondContact O-N 2.89Å
200A43.3Very low55.9Low103 Ų103115.4 Ų115.485%0.85168%0.68SS**  trans-70.880.7172.900000109.2A198A198-A200 PolarHBondContact O-N 2.82Å; A198-A200 VanDerWaalsContact O-N 3.09Å
201S44.9Very low58Low88 Ų88115.2 Ų115.262%0.61567%0.673SS**  trans-55.3146143-59.50000107.4R199 R203R199-S201 PolarHBondContact O-N 2.89Å; S201-R203 PolarHBondContact O-N 2.9Å
202P45.4Very low60.4Low124 Ų124108 Ų10881%0.80564%0.636SS**  trans-55.6116.5170.325.1-32.9000107.3L204P202-L204 PolarHBondContact O-N 2.78Å
203R49.4Very low62.7Low228 Ų228107.5 Ų107.586%0.8661%0.611SS**  trans-66.7107.7167.4-71.4-177.7-179.8164.71104.6S201 E205S201-R203 PolarHBondContact O-N 2.9Å; R203-E205 PolarHBondContact O-N 3.34Å
204L53.7Low65.1Low164 Ų164103.5 Ų103.586%0.85958%0.578SS**  trans-51.3113.2152.5-74.1161.6000104.9P202 K206P202-L204 PolarHBondContact O-N 2.78Å; L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.94Å
205E63Low67.6Low177 Ų177101.4 Ų101.483%0.82757%0.566SS**  trans-59.1104.6168.4-89.7173.4139.900105.9R203 D207R203-E205 PolarHBondContact O-N 3.34Å; E205-D207 PolarHBondContact O-N 3.34Å
206K78.1Confident69.7Low192 Ų192102.4 Ų102.484%0.83557%0.566SS**  trans-88.297.1-179.8-173.7-171.8175.7-169.90105.8L204L204-K206 VanDerWaalsContact C-N 3.31Å; L204-K206 PolarHBondContact O-N 2.94Å
207D85.3Confident72.3Confident29 Ų29103.3 Ų103.316%0.15556%0.559CS.*  trans-41.1134.3171.8-163.911.8000111.2E205 H238 A284 Q286E205-D207 PolarHBondContact O-N 3.34Å; D207-H238 VanDerWaalsContact CG-ND1 3.33Å; D207-H238 IonicContact OD1-CE1 2.68Å; D207-H238 PolarHBondContact OD1-CE1 2.04Å; D207-H238 IonicContact OD1-CG 3.59Å; D207-H238 IonicContact OD1-ND1 3.36Å; D207-H238 PolarHBondContact OD1-ND1 3.23Å; D207-H238 IonicContact OD2-ND1 3.81Å; D207-A284 WeakPolarHBondContact OD2-CB 3.45Å; D207-Q286 VanDerWaalsContact CG-NE2 3.29Å; D207-Q286 PolarHBondContact OD2-NE2 2.96Å
208A87.4Confident74.7Confident43 Ų4399.7 Ų99.736%0.35554%0.537SS..PPolyproline II helixtrans-99.4148.3178.800000109.7D237 Q286A208-D237 WeakPolarHBondContact CB-OD1 3.31Å; A208-D237 PolarHBondContact N-OD1 3.38Å; A208-D237 PolarHBondContact N-OD2 3.1Å; A208-Q286 PolarHBondContact O-NE2 3.38Å
209P89.7Confident77.2Confident81 Ų81100.2 Ų100.253%0.52653%0.531SS..PPolyproline II helixtrans-66.6147.517728.5-35.1000110.2Q286P209-Q286 HydrophobicContact CB-CB 4.18Å
210P94.4Very high79.5Confident3 Ų389.8 Ų89.82%0.01949%0.493CS..PPolyproline II helixtrans-60.5153.7-175.419.1-30.2000111.9D236 V280 D282 S288P210-D236 WeakPolarHBondContact CA-OD1 3.48Å; P210-D236 HydrophobicContact CB-CB 4.27Å; P210-D236 WeakPolarHBondContact CB-OD1 3.5Å; P210-V280 HydrophobicContact CB-CG1 4.08Å; P210-V280 HydrophobicContact CG-CG1 4.37Å; P210-D282 HydrophobicContact CG-CB 4.24Å; P210-S288 WeakPolarHBondContact O-CB 3.14Å; P210-S288 PolarHBondContact O-OG 2.89Å
211L94.6Very high81.7Confident97 Ų9788.9 Ų88.951%0.50847%0.471SS..BIsolated β-bridgetrans-96.995.2169.4-178.862.8000109.3K213 S234 T235L211-K213 HydrophobicContact CG-CG 4.48Å; L211-S234 CarbonylContact O-C 3.51Å; L211-S234 WeakPolarHBondContact O-CA 3.32Å; L211-S234 WeakPolarHBondContact O-CB 2.91Å; L211-T235 WeakPolarHBondContact CA-O 3.48Å; L211-T235 WeakPolarHBondContact CB-O 3.44Å; L211-T235 PolarHBondContact N-O 3.27Å; L211-T235 PolarHBondContact O-N 2.88Å
212S95.1Very high83.6Confident9 Ų987.4 Ų87.46%0.06346%0.456CS..  trans-65.8137.2171.149.80000111.2S288 S289 D290S212-S288 PolarHBondContact OG-OG 3.3Å; S212-S289 WeakPolarHBondContact OG-CA 3.43Å; S212-S289 PolarHBondContact OG-N 2.86Å; S212-S289 PolarHBondContact OG-O 3.33Å; S212-D290 PolarHBondContact OG-N 3.45Å
213K95.4Very high85.6Confident67 Ų6787.2 Ų87.229%0.29146%0.455SS..  trans-136.2110.8170.2-54.2-166.8-163.586.60108.9L211 G231 E233 S234 T235 L278 D290L211-K213 HydrophobicContact CG-CG 4.48Å; K213-G231 VanDerWaalsContact O-CA 3.27Å; K213-G231 WeakPolarHBondContact O-CA 3.46Å; K213-E233 HydrophobicContact CB-CB 4.38Å; K213-E233 HydrophobicContact CD-CB 4.35Å; K213-E233 WeakPolarHBondContact CD-O 3.39Å; K213-E233 PolarHBondContact NZ-O 3.21Å; K213-S234 PolarHBondContact N-OG 3.3Å; K213-S234 PolarHBondContact O-OG 2.83Å; K213-T235 PolarHBondContact NZ-OG1 3.03Å; K213-T235 VanDerWaalsContact NZ-OG1 3.09Å; K213-L278 WeakPolarHBondContact O-CD2 2.99Å; K213-D290 WeakPolarHBondContact CA-OD2 3.38Å
214A93.3Very high87.5Confident0 Ų080.2 Ų80.20%044%0.438CS..  trans-83.5-15-177.200000113.5W245 L278 D290 V292A214-W245 HydrophobicContact CB-CH2 4.13Å; A214-W245 HydrophobicContact CB-CZ3 4.23Å; A214-L278 HydrophobicContact CB-CB 3.87Å; A214-L278 HydrophobicContact CB-CD2 4.4Å; A214-D290 HydrophobicContact CB-CB 4.11Å; A214-D290 PolarHBondContact N-OD2 3.43Å; A214-V292 HydrophobicContact CB-CB 3.86Å; A214-V292 HydrophobicContact CB-CG1 3.87Å
215G92.4Very high89.2Confident50 Ų5075.4 Ų75.452%0.51541%0.413SS..  trans120.4-159-18000000112.3
216Q93.1Very high90.6Very high174 Ų17468.2 Ų68.281%0.81339%0.386SS*.  trans-103153.3168.7-73.3172.388.200109.4V292Q216-V292 WeakPolarHBondContact O-CG2 3.39Å
217D93.9Very high91.4Very high110 Ų11060 Ų6059%0.58835%0.352SS*.  trans-56.5139173.1-64.4-47.8000111.4S293D217-S293 CarbonylContact C-O 3.56Å; D217-S293 VanDerWaalsContact CA-O 3.31Å; D217-S293 WeakPolarHBondContact CA-O 3.2Å; D217-S293 WeakPolarHBondContact OD1-CA 3.24Å; D217-S293 WeakPolarHBondContact OD1-CB 3.16Å; D217-S293 PolarHBondContact OD1-N 2.96Å; D217-S293 PolarHBondContact OD1-OG 3.06Å
218V93.8Very high91.9Very high40 Ų4062.9 Ų62.924%0.24237%0.37CS..EExtended strand (participates in β ladder)trans-112.9133.3-177.4-173.20000110.4L220 V227 L229 S293 V294 T295V218-L220 HydrophobicContact CG1-CD2 3.87Å; V218-L220 HydrophobicContact CG1-CG 4.27Å; V218-V227 HydrophobicContact CG1-CG2 4.06Å; V218-V227 HydrophobicContact CG2-CG2 4.3Å; V218-L229 HydrophobicContact CG2-CD2 4Å; V218-S293 PolarHBondContact N-O 3.47Å; V218-V294 HydrophobicContact CB-CG2 4.44Å; V218-V294 CarbonylContact O-C 3.56Å; V218-V294 WeakPolarHBondContact O-CA 3.11Å; V218-T295 PolarHBondContact O-N 2.9Å
219V93.5Very high92.3Very high88 Ų8861.1 Ų61.153%0.53336%0.355SS..EExtended strand (participates in β ladder)trans-106.4122.1167.6-1760000108.6T295 L297V219-T295 CarbonylContact C-O 3.37Å; V219-T295 WeakPolarHBondContact CA-O 3.36Å; V219-L297 HydrophobicContact CG1-CD1 3.69Å; V219-L297 HydrophobicContact CG1-CG 4.08Å
220L90.9Very high92.4Very high18 Ų1860.1 Ų60.19%0.09435%0.345CS..EExtended strand (participates in β ladder)trans-105.8150.6172.4-59.2-179.6000109.6V218 T224 V227 L269 V294 T295 V296 L297V218-L220 HydrophobicContact CG1-CD2 3.87Å; V218-L220 HydrophobicContact CG1-CG 4.27Å; L220-T224 HydrophobicContact CD2-CG2 4.48Å; L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CB 4.29Å; L220-L269 HydrophobicContact CD1-CD2 4.4Å; L220-V294 HydrophobicContact CD1-CG1 4.02Å; L220-V294 HydrophobicContact CG-CG1 4.23Å; L220-T295 PolarHBondContact N-O 3.25Å; L220-V296 HydrophobicContact CB-CG1 4.46Å; L220-V296 HydrophobicContact CB-CG2 4.24Å; L220-V296 HydrophobicContact CD1-CG2 4.16Å; L220-L297 PolarHBondContact O-N 2.82Å
221H87.6Confident92.4Very high84 Ų8460 Ų6039%0.38935%0.345SS..EExtended strand (participates in β ladder)trans-119.3131166.5-73.6-86.5000108.8T224 L297 R298H221-T224 VanDerWaalsContact O-CB 3.31Å; H221-T224 WeakPolarHBondContact O-CB 3.35Å; H221-T224 PolarHBondContact O-N 3.23Å; H221-L297 WeakPolarHBondContact CA-O 3.36Å; H221-R298 PolarHBondContact ND1-O 3.48Å; H221-R298 VanDerWaalsContact ND1-O 3.11Å
222L86.5Confident92.2Very high57 Ų5761.5 Ų61.530%0.29834%0.344SS..THydrogen-bonded Turntrans-54.6141.7167.7-65176.9000109.7V296 L297 A299L222-V296 HydrophobicContact CD2-CG1 4.04Å; L222-V296 HydrophobicContact CG-CG1 4.13Å; L222-L297 PolarHBondContact N-O 2.94Å; L222-L297 VanDerWaalsContact N-O 3.07Å; L222-A299 VanDerWaalsContact O-CA 3.24Å; L222-A299 WeakPolarHBondContact O-CA 3.39Å; L222-A299 WeakPolarHBondContact O-CB 3.27Å
223P86.1Confident92.1Very high121 Ų12168 Ų6879%0.78637%0.373SS*.THydrogen-bonded Turncis-83.89.511.835-38.1000115.6D225P223-D225 PolarHBondContact O-N 3.43Å; P223-D225 VanDerWaalsContact O-N 3.14Å
224T89.1Confident92Very high80 Ų8065.2 Ų65.249%0.49136%0.362SS..  trans-77.5100.4176.8-51.30000110.5L220 H221L220-T224 HydrophobicContact CD2-CG2 4.48Å; H221-T224 VanDerWaalsContact O-CB 3.31Å; H221-T224 WeakPolarHBondContact O-CB 3.35Å; H221-T224 PolarHBondContact O-N 3.23Å
225D90.7Very high91.9Very high63 Ų6368.6 Ų68.634%0.33738%0.382SS..  trans-103.616.4-173.475.3-42.1000113.7P223 S267 H268 L269P223-D225 PolarHBondContact O-N 3.43Å; P223-D225 VanDerWaalsContact O-N 3.14Å; D225-S267 CarbonylContact O-C 3.54Å; D225-H268 PolarHBondContact O-N 3.42Å; D225-H268 VanDerWaalsContact OD2-CA 3.25Å; D225-H268 WeakPolarHBondContact OD2-CA 3.47Å; D225-H268 IonicContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-N 2.97Å; D225-H268 VanDerWaalsContact OD2-N 3.16Å; D225-L269 WeakPolarHBondContact O-CD1 3.45Å; D225-L269 PolarHBondContact O-N 3.26Å
226G92.3Very high91.9Very high26 Ų2668.1 Ų68.127%0.26837%0.368SS..  trans-149.9145.2-174.200000113.9L266G226-L266 VanDerWaalsContact CA-O 3.22Å; G226-L266 WeakPolarHBondContact CA-O 3.3Å
227V95.2Very high91.7Very high21 Ų2164.2 Ų64.213%0.12735%0.353CS..EExtended strand (participates in β ladder)trans-147.4157.2-177.260.90000110.4V218 L220 L229 L266 L269 V294V218-V227 HydrophobicContact CG1-CG2 4.06Å; V218-V227 HydrophobicContact CG2-CG2 4.3Å; L220-V227 HydrophobicContact CD1-CB 4.05Å; L220-V227 HydrophobicContact CD1-CG1 4.15Å; L220-V227 HydrophobicContact CD2-CB 4.29Å; V227-L229 HydrophobicContact CG2-CD2 4.42Å; V227-L266 HydrophobicContact CG1-CB 4Å; V227-L266 HydrophobicContact CG1-CD1 3.81Å; V227-L266 HydrophobicContact CG1-CG 4.35Å; V227-L266 PolarHBondContact N-O 3.28Å; V227-L266 VanDerWaalsContact N-O 3.11Å; V227-L266 PolarHBondContact O-N 3.44Å; V227-L269 HydrophobicContact CG1-CD1 4.49Å; V227-V294 HydrophobicContact CG1-CG1 4.16Å; V227-V294 HydrophobicContact CG1-CG2 4.39Å
228V95.1Very high91.1Very high88 Ų8863.7 Ų63.753%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-116.2121.8167.9-176.30000108.5L264 K265V228-L264 CarbonylContact C-O 3.55Å; V228-L264 WeakPolarHBondContact CA-O 3.28Å; V228-K265 HydrophobicContact CG2-CB 4.16Å; V228-K265 HydrophobicContact CG2-CD 4.44Å; V228-K265 HydrophobicContact CG2-CG 4.07Å
229L94.9Very high90.8Very high6 Ų663.9 Ų63.93%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-93.4139.1171.9-58.1173.1000108.8V218 V227 W245 T263 L264 L266 F276 V292 V294V218-L229 HydrophobicContact CG2-CD2 4Å; V227-L229 HydrophobicContact CG2-CD2 4.42Å; L229-W245 HydrophobicContact CB-CH2 3.93Å; L229-W245 HydrophobicContact CB-CZ2 4.35Å; L229-W245 HydrophobicContact CB-CZ3 4.43Å; L229-W245 HydrophobicContact CD1-CZ3 4.36Å; L229-T263 WeakPolarHBondContact O-CA 3.06Å; L229-L264 HydrophobicContact CB-CB 4.41Å; L229-L264 HydrophobicContact CD1-CD2 4.24Å; L229-L264 PolarHBondContact N-O 3.33Å; L229-L264 PolarHBondContact O-N 3.08Å; L229-L266 HydrophobicContact CD1-CD1 3.82Å; L229-L266 HydrophobicContact CG-CD1 4.38Å; L229-F276 HydrophobicContact CD1-CB 4.29Å; L229-F276 HydrophobicContact CD1-CD2 3.88Å; L229-F276 HydrophobicContact CD1-CG 4.14Å; L229-V292 HydrophobicContact CD1-CG1 3.8Å; L229-V292 HydrophobicContact CD2-CG1 4.37Å; L229-V292 HydrophobicContact CD2-CG2 4.27Å; L229-V294 HydrophobicContact CD1-CG2 4.11Å; L229-V294 HydrophobicContact CD2-CG2 4.02Å
230D93.3Very high90.7Very high61 Ų6161.3 Ų61.333%0.32634%0.336SS..EExtended strand (participates in β ladder)trans-124.3107-174.3-166.3-6.2000111.1R232D230-R232 VanDerWaalsContact OD1-CB 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å; D230-R232 IonicContact OD1-CZ 2.71Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.96Å; D230-R232 PolarHBondContact OD1-NE 3.01Å; D230-R232 IonicContact OD1-NH2 3.18Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 3.49Å; D230-R232 IonicContact OD2-NH2 2.79Å; D230-R232 PolarHBondContact OD2-NH2 3.05Å
231G93Very high90.8Very high0 Ų064.3 Ų64.30%035%0.354CS..  trans-91.31.4178.700000114.5K213 E233 S234 G262K213-G231 VanDerWaalsContact O-CA 3.27Å; K213-G231 WeakPolarHBondContact O-CA 3.46Å; G231-E233 PolarHBondContact O-N 2.83Å; G231-S234 VanDerWaalsContact O-CB 3.3Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 3.28Å; G231-S234 PolarHBondContact O-OG 3.28Å; G231-G262 VanDerWaalsContact CA-O 3.28Å; G231-G262 WeakPolarHBondContact CA-O 3.5Å; G231-G262 PolarHBondContact N-O 3.49Å
232R91.8Very high91Very high129 Ų12964.2 Ų64.249%0.48735%0.354SS..THydrogen-bonded Turntrans-73.2-5.6-173.2-61.1175.4-61.7169.57.4114.1D230 S234 T263D230-R232 VanDerWaalsContact OD1-CB 3.24Å; D230-R232 WeakPolarHBondContact OD1-CB 3.27Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å; D230-R232 IonicContact OD1-CZ 2.71Å; D230-R232 PolarHBondContact OD1-N 2.98Å; D230-R232 IonicContact OD1-NE 3.96Å; D230-R232 PolarHBondContact OD1-NE 3.01Å; D230-R232 IonicContact OD1-NH2 3.18Å; D230-R232 IonicContact OD2-CZ 2.63Å; D230-R232 IonicContact OD2-NE 3.72Å; D230-R232 PolarHBondContact OD2-NE 3.49Å; D230-R232 IonicContact OD2-NH2 2.79Å; D230-R232 PolarHBondContact OD2-NH2 3.05Å; R232-S234 PolarHBondContact O-N 3.41Å; R232-T263 HydrophobicContact CG-CG2 4.25Å
233E92.3Very high91.4Very high145 Ų14564 Ų6468%0.67835%0.35SS*.THydrogen-bonded Turntrans-77.2-0.7166.6-65.7-158.5178.400113K213 G231K213-E233 HydrophobicContact CB-CB 4.38Å; K213-E233 HydrophobicContact CD-CB 4.35Å; K213-E233 WeakPolarHBondContact CD-O 3.39Å; K213-E233 PolarHBondContact NZ-O 3.21Å; G231-E233 PolarHBondContact O-N 2.83Å
234S93.8Very high91.8Very high8 Ų863 Ų636%0.05633%0.334CS..  trans-61.2142.7169.2-56.30000111.2L211 K213 G231 R232L211-S234 CarbonylContact O-C 3.51Å; L211-S234 WeakPolarHBondContact O-CA 3.32Å; L211-S234 WeakPolarHBondContact O-CB 2.91Å; K213-S234 PolarHBondContact N-OG 3.3Å; K213-S234 PolarHBondContact O-OG 2.83Å; G231-S234 VanDerWaalsContact O-CB 3.3Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 3.28Å; G231-S234 PolarHBondContact O-OG 3.28Å; R232-S234 PolarHBondContact O-N 3.41Å
235T90.6Very high92.1Very high71 Ų7160.5 Ų60.544%0.43632%0.316SS..BIsolated β-bridgetrans-139.5144.4-170.546.40000111.8L211 K213L211-T235 WeakPolarHBondContact CA-O 3.48Å; L211-T235 WeakPolarHBondContact CB-O 3.44Å; L211-T235 PolarHBondContact N-O 3.27Å; L211-T235 PolarHBondContact O-N 2.88Å; K213-T235 PolarHBondContact NZ-OG1 3.03Å; K213-T235 VanDerWaalsContact NZ-OG1 3.09Å
236D92.3Very high92.3Very high40 Ų4059.5 Ų59.521%0.21432%0.316CS..  trans-144158.2-174.3-172.173.1000109.5P210 H238 A239 I240 D282P210-D236 WeakPolarHBondContact CA-OD1 3.48Å; P210-D236 HydrophobicContact CB-CB 4.27Å; P210-D236 WeakPolarHBondContact CB-OD1 3.5Å; D236-H238 PolarHBondContact OD2-N 3.14Å; D236-A239 PolarHBondContact OD2-N 2.73Å; D236-I240 HydrophobicContact CB-CD1 4.29Å; D236-I240 HydrophobicContact CB-CG1 3.67Å; D236-D282 WeakPolarHBondContact OD1-CB 3.17Å
237D88.8Confident92.5Very high93 Ų9360.6 Ų60.650%0.49732%0.316SS..SBendtrans-81.7-25.5177.748.3-56000114.2A208A208-D237 WeakPolarHBondContact CB-OD1 3.31Å; A208-D237 PolarHBondContact N-OD1 3.38Å; A208-D237 PolarHBondContact N-OD2 3.1Å
238H81.9Confident92.5Very high98 Ų9864.1 Ų64.145%0.45433%0.334SS..SBendtrans-105.6-72.9177.7-68.887.3000111.9D207 D236 T283D207-H238 VanDerWaalsContact CG-ND1 3.33Å; D207-H238 IonicContact OD1-CE1 2.68Å; D207-H238 PolarHBondContact OD1-CE1 2.04Å; D207-H238 IonicContact OD1-CG 3.59Å; D207-H238 IonicContact OD1-ND1 3.36Å; D207-H238 PolarHBondContact OD1-ND1 3.23Å; D207-H238 IonicContact OD2-ND1 3.81Å; D236-H238 PolarHBondContact OD2-N 3.14Å; H238-T283 WeakPolarHBondContact CB-OG1 3.47Å
239A86.8Confident92.4Very high45 Ų4565.8 Ų65.837%0.37234%0.335SS..  trans-174.3139.617300000111.6D236 D282 T283D236-A239 PolarHBondContact OD2-N 2.73Å; A239-D282 CarbonylContact O-C 3.57Å; A239-D282 WeakPolarHBondContact O-CA 3.27Å; A239-T283 HydrophobicContact CB-CG2 3.96Å; A239-T283 PolarHBondContact O-N 3.06Å
240I92.6Very high92.3Very high34 Ų3467.2 Ų67.217%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-78.5123.7168.7-62.9166.6000109.8D236 Y243 V280D236-I240 HydrophobicContact CB-CD1 4.29Å; D236-I240 HydrophobicContact CB-CG1 3.67Å; I240-Y243 HydrophobicContact CB-CE2 4.25Å; I240-Y243 HydrophobicContact CD1-CE1 4.5Å; I240-Y243 WeakPolarHBondContact CD1-OH 3.37Å; I240-Y243 HydrophobicContact CG2-CD2 3.89Å; I240-Y243 HydrophobicContact CG2-CE1 4.18Å; I240-Y243 HydrophobicContact CG2-CE2 3.34Å; I240-V280 HydrophobicContact CB-CG1 4.17Å; I240-V280 HydrophobicContact CD1-CG1 3.67Å; I240-V280 HydrophobicContact CG1-CG1 3.7Å; I240-V280 HydrophobicContact CG2-CG1 3.38Å
241V91.6Very high92.1Very high80 Ų8067.5 Ų67.549%0.48535%0.353SS..EExtended strand (participates in β ladder)trans-98.1-28.9178.3-56.20000113.5M281 D282 T283V241-M281 HydrophobicContact CG2-CB 4.47Å; V241-M281 HydrophobicContact CG2-CE 3.74Å; V241-M281 HydrophobicContact CG2-CG 4.48Å; V241-M281 PolarHBondContact N-O 3.35Å; V241-D282 WeakPolarHBondContact CG2-O 3.36Å; V241-T283 HydrophobicContact CG1-CG2 3.48Å; V241-T283 VanDerWaalsContact CG1-CG2 3.48Å
242Q92.6Very high91.9Very high83 Ų8373 Ų7339%0.38839%0.389SS..EExtended strand (participates in β ladder)trans-142.3141.1-174.1-169.2176.7200112.1V280 M281Q242-V280 WeakPolarHBondContact O-CA 3.48Å; Q242-M281 HydrophobicContact CB-CB 4.15Å; Q242-M281 HydrophobicContact CB-CE 4.1Å; Q242-M281 PolarHBondContact N-O 2.9Å; Q242-M281 PolarHBondContact O-N 3.05Å; Q242-M281 VanDerWaalsContact OE1-CE 3.26Å
243Y95.2Very high91.7Very high53 Ų5370.1 Ų70.121%0.20839%0.389CS..EExtended strand (participates in β ladder)trans-122.1130.7168.8-62.3-104.4000107.8I240 S261 G262 L278 V280I240-Y243 HydrophobicContact CB-CE2 4.25Å; I240-Y243 HydrophobicContact CD1-CE1 4.5Å; I240-Y243 WeakPolarHBondContact CD1-OH 3.37Å; I240-Y243 HydrophobicContact CG2-CD2 3.89Å; I240-Y243 HydrophobicContact CG2-CE1 4.18Å; I240-Y243 HydrophobicContact CG2-CE2 3.34Å; Y243-S261 WeakPolarHBondContact CD2-OG 3.4Å; Y243-G262 VanDerWaalsContact CD1-CA 3.46Å; Y243-G262 VanDerWaalsContact CG-CA 3.46Å; Y243-L278 HydrophobicContact CD1-CD1 4.12Å; Y243-V280 HydrophobicContact CD1-CG2 4.11Å; Y243-V280 HydrophobicContact CE1-CG1 4.5Å; Y243-V280 HydrophobicContact CE1-CG2 4.4Å
244E94.9Very high91.7Very high98 Ų9863.8 Ų63.846%0.45836%0.36SS..EExtended strand (participates in β ladder)trans-129.9133.6-178.7-178.9170.2-161.900108.8L278 T279E244-L278 CarbonylContact O-C 3.34Å; E244-T279 PolarHBondContact N-O 3.45Å; E244-T279 PolarHBondContact O-N 3.43Å
245W95.8Very high91.6Very high29 Ų2965.5 Ų65.511%0.1137%0.368CS..EExtended strand (participates in β ladder)trans-118.9130.2-179.2-75.499.3000110.4A214 L229 G262 L264 F276 Q277 L278 V292A214-W245 HydrophobicContact CB-CH2 4.13Å; A214-W245 HydrophobicContact CB-CZ3 4.23Å; L229-W245 HydrophobicContact CB-CH2 3.93Å; L229-W245 HydrophobicContact CB-CZ2 4.35Å; L229-W245 HydrophobicContact CB-CZ3 4.43Å; L229-W245 HydrophobicContact CD1-CZ3 4.36Å; W245-G262 PolarHBondContact NE1-O 2.78Å; W245-L264 HydrophobicContact CB-CD1 4.44Å; W245-L264 HydrophobicContact CB-CD2 3.95Å; W245-L264 HydrophobicContact CD2-CB 3.8Å; W245-L264 HydrophobicContact CD2-CD2 3.79Å; W245-L264 HydrophobicContact CD2-CG 4.41Å; W245-L264 HydrophobicContact CE3-CB 4.42Å; W245-L264 HydrophobicContact CE3-CD2 3.77Å; W245-L264 HydrophobicContact CG-CB 3.88Å; W245-L264 HydrophobicContact CG-CD2 3.92Å; W245-L264 HydrophobicContact CG-CG 4.35Å; W245-L264 HydrophobicContact CZ2-CB 4.28Å; W245-L264 HydrophobicContact CZ3-CD2 4.47Å; W245-F276 HydrophobicContact CE3-CB 4.28Å; W245-F276 HydrophobicContact CZ3-CB 4.34Å; W245-Q277 WeakPolarHBondContact CA-O 3.3Å; W245-L278 HydrophobicContact CD2-CB 4.26Å; W245-L278 HydrophobicContact CD2-CD1 4.01Å; W245-L278 HydrophobicContact CE3-CB 3.93Å; W245-L278 HydrophobicContact CG-CD1 4.41Å; W245-L278 HydrophobicContact CH2-CB 3.91Å; W245-L278 HydrophobicContact CH2-CD2 4.44Å; W245-L278 HydrophobicContact CZ2-CB 4.22Å; W245-L278 HydrophobicContact CZ2-CD1 3.97Å; W245-L278 HydrophobicContact CZ2-CD2 4.31Å; W245-L278 HydrophobicContact CZ2-CG 4.39Å; W245-L278 HydrophobicContact CZ3-CB 3.75Å; W245-V292 HydrophobicContact CH2-CG1 4.4Å; W245-V292 HydrophobicContact CZ3-CG1 3.93Å
246A94.6Very high91.8Very high41 Ų4165.3 Ų65.334%0.33936%0.363SS..EExtended strand (participates in β ladder)trans-127.4138.817800000111.5F276 Q277A246-F276 CarbonylContact O-C 3.58Å; A246-F276 WeakPolarHBondContact O-CA 3.28Å; A246-Q277 PolarHBondContact N-O 3.4Å; A246-Q277 PolarHBondContact O-N 2.97Å
247L95.6Very high91.8Very high49 Ų4968.8 Ų68.826%0.25738%0.377SS..EExtended strand (participates in β ladder)trans-79.2118166.4178.371.1000108.5Q249 V254 M256 Y274 F276L247-Q249 WeakPolarHBondContact CD1-O 3.41Å; L247-V254 HydrophobicContact CD2-CG1 3.97Å; L247-M256 HydrophobicContact CB-SD 3.99Å; L247-Y274 HydrophobicContact CD1-CD1 4.18Å; L247-F276 HydrophobicContact CB-CD1 4.32Å; L247-F276 HydrophobicContact CB-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CD1 3.94Å; L247-F276 HydrophobicContact CD1-CE1 3.46Å; L247-F276 VanDerWaalsContact CD1-CE1 3.46Å; L247-F276 HydrophobicContact CD1-CE2 4.45Å; L247-F276 HydrophobicContact CD1-CZ 3.73Å; L247-F276 HydrophobicContact CG-CE1 4.41Å
248L94.8Very high92Very high96 Ų9668.8 Ų68.850%0.50338%0.38SS..EExtended strand (participates in β ladder)trans-92.2-36.5175.5-65.5-174.1000112.5T275 Q277L248-T275 PolarHBondContact N-O 2.97Å; L248-Q277 HydrophobicContact CD1-CB 3.77Å; L248-Q277 HydrophobicContact CD2-CB 4.25Å; L248-Q277 HydrophobicContact CG-CB 3.82Å
249Q94Very high92.2Very high122 Ų12268.1 Ų68.157%0.5738%0.384SS*.EExtended strand (participates in β ladder)trans-148.2140.4-176.2-174.417931.700109.7L247 Y274 T275L247-Q249 WeakPolarHBondContact CD1-O 3.41Å; Q249-Y274 CarbonylContact O-C 3.54Å; Q249-Y274 VanDerWaalsContact O-CA 3.25Å; Q249-Y274 WeakPolarHBondContact O-CA 3.41Å; Q249-T275 PolarHBondContact N-O 3.4Å; Q249-T275 PolarHBondContact O-N 2.96Å; Q249-T275 PolarHBondContact OE1-OG1 3.17Å
250G92.2Very high92.3Very high36 Ų3671.7 Ų71.737%0.37139%0.393SS..SBendtrans133.3-179.8-179.100000111
251D90.1Very high92.1Very high68 Ų6873.8 Ų73.836%0.36441%0.411SS..  trans-73.4125.9174.1-167.6-54.6000110.4S253 V254 Y274D251-S253 VanDerWaalsContact CG-OG 3.29Å; D251-S253 PolarHBondContact O-N 2.85Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.86Å; D251-S253 PolarHBondContact OD1-OG 2.91Å; D251-V254 WeakPolarHBondContact O-CG1 3.48Å; D251-V254 PolarHBondContact O-N 3.1Å; D251-Y274 HydrophobicContact CB-CE1 4.08Å
252P88.6Confident92Very high114 Ų11470 Ų7074%0.7439%0.388SS*.THydrogen-bonded Turntrans-72.5-3.4-178.731.7-37.2000114.5V254P252-V254 PolarHBondContact O-N 2.84Å
253S86.1Confident92Very high70 Ų7066.3 Ų66.349%0.4937%0.371SS..THydrogen-bonded Turntrans-76-5.1173.864.20000114.4D251D251-S253 VanDerWaalsContact CG-OG 3.29Å; D251-S253 PolarHBondContact O-N 2.85Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.86Å; D251-S253 PolarHBondContact OD1-OG 2.91Å
254V92.3Very high92Very high12 Ų1263.9 Ų63.97%0.07336%0.362CS..SBendtrans-61.3132.2175.964.90000112L247 D251 P252 M256 L266 L269 Y274L247-V254 HydrophobicContact CD2-CG1 3.97Å; D251-V254 WeakPolarHBondContact O-CG1 3.48Å; D251-V254 PolarHBondContact O-N 3.1Å; P252-V254 PolarHBondContact O-N 2.84Å; V254-M256 HydrophobicContact CG1-CG 4.2Å; V254-M256 PolarHBondContact O-N 3.26Å; V254-L266 HydrophobicContact CG2-CB 4.43Å; V254-L266 HydrophobicContact CG2-CD2 4.17Å; V254-L269 HydrophobicContact CG2-CD1 4.42Å; V254-L269 HydrophobicContact CG2-CG 3.99Å; V254-Y274 HydrophobicContact CB-CE1 4.21Å; V254-Y274 HydrophobicContact CG1-CE1 4.45Å
255D92.4Very high92Very high43 Ų4364.1 Ų64.123%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-83.2104.8-179.5174.839.1000110.5K257 L266 S267D255-K257 VanDerWaalsContact CG-NZ 3.29Å; D255-K257 WeakPolarHBondContact OD1-CE 3.2Å; D255-K257 IonicContact OD1-NZ 2.76Å; D255-K257 PolarHBondContact OD1-NZ 2.79Å; D255-K257 VanDerWaalsContact OD1-NZ 3.15Å; D255-K257 WeakPolarHBondContact OD2-CE 3.39Å; D255-K257 IonicContact OD2-NZ 3.4Å; D255-K257 PolarHBondContact OD2-NZ 3.35Å; D255-L266 WeakPolarHBondContact O-CA 3.35Å; D255-S267 PolarHBondContact N-O 2.83Å; D255-S267 VanDerWaalsContact N-O 3.13Å; D255-S267 PolarHBondContact O-N 2.81Å; D255-S267 VanDerWaalsContact O-N 3.17Å; D255-S267 PolarHBondContact OD2-OG 3.12Å
256M94.4Very high92Very high68 Ų6862.8 Ų62.834%0.33536%0.356SS..EExtended strand (participates in β ladder)trans-97.1115-178.8-66-179.970.700111.4L247 V254 L264 L266 F276L247-M256 HydrophobicContact CB-SD 3.99Å; V254-M256 HydrophobicContact CG1-CG 4.2Å; V254-M256 PolarHBondContact O-N 3.26Å; M256-L264 HydrophobicContact CB-CD1 4.07Å; M256-L264 HydrophobicContact CE-CD1 4.04Å; M256-L264 HydrophobicContact CE-CD2 3.93Å; M256-L264 HydrophobicContact CG-CD1 4.5Å; M256-L266 HydrophobicContact CB-CD2 4.44Å; M256-L266 HydrophobicContact CG-CD2 3.73Å; M256-F276 HydrophobicContact CE-CD1 4Å; M256-F276 HydrophobicContact CE-CE1 4.09Å; M256-F276 HydrophobicContact CG-CE1 4.48Å; M256-F276 HydrophobicContact SD-CE1 4.18Å
257K92.9Very high92Very high113 Ų11361.8 Ų61.849%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-125.9131.8179.1-77165.4178150.80111.2D255 P259 K265D255-K257 VanDerWaalsContact CG-NZ 3.29Å; D255-K257 WeakPolarHBondContact OD1-CE 3.2Å; D255-K257 IonicContact OD1-NZ 2.76Å; D255-K257 PolarHBondContact OD1-NZ 2.79Å; D255-K257 VanDerWaalsContact OD1-NZ 3.15Å; D255-K257 WeakPolarHBondContact OD2-CE 3.39Å; D255-K257 IonicContact OD2-NZ 3.4Å; D255-K257 PolarHBondContact OD2-NZ 3.35Å; K257-P259 WeakPolarHBondContact O-CD 3.45Å; K257-K265 HydrophobicContact CB-CB 4.49Å; K257-K265 PolarHBondContact N-O 2.99Å; K257-K265 PolarHBondContact O-N 2.72Å
258V92.4Very high91.7Very high93 Ų9365.4 Ų65.456%0.56436%0.362SS*.  trans-102.794.6176.41770000108.5Q260 T263 L264V258-Q260 WeakPolarHBondContact CG1-O 3.08Å; V258-T263 WeakPolarHBondContact CG1-O 3.46Å; V258-L264 HydrophobicContact CG2-CD1 4.31Å
259P86.8Confident91.6Very high84 Ų8461 Ų6155%0.54534%0.339SS..SBendtrans-75.9-28.9-177.930.5-35.2000112.6K257 K265K257-P259 WeakPolarHBondContact O-CD 3.45Å; P259-K265 HydrophobicContact CG-CB 4.46Å
260Q88.4Confident91.5Very high120 Ų12060.4 Ų60.456%0.56134%0.336SS*.SBendtrans-144.8152.5175.5-57-171.2-62.800109.4V258 G262 T263V258-Q260 WeakPolarHBondContact CG1-O 3.08Å; Q260-G262 PolarHBondContact O-N 2.98Å; Q260-T263 PolarHBondContact N-OG1 2.82Å; Q260-T263 PolarHBondContact O-N 2.96Å; Q260-T263 PolarHBondContact O-OG1 3.46Å
261S89Confident91.5Very high78 Ų7863.7 Ų63.755%0.54534%0.342SS..THydrogen-bonded Turntrans-53.8132.1175.1-161.80000110.8Y243 T263Y243-S261 WeakPolarHBondContact CD2-OG 3.4Å; S261-T263 VanDerWaalsContact C-N 3.33Å; S261-T263 PolarHBondContact O-N 3.46Å
262G88.3Confident91.6Very high1 Ų161.8 Ų61.81%0.0134%0.339CS..THydrogen-bonded Turntrans82.3-9.2-175.100000116.2G231 Y243 W245 Q260G231-G262 VanDerWaalsContact CA-O 3.28Å; G231-G262 WeakPolarHBondContact CA-O 3.5Å; G231-G262 PolarHBondContact N-O 3.49Å; Y243-G262 VanDerWaalsContact CD1-CA 3.46Å; Y243-G262 VanDerWaalsContact CG-CA 3.46Å; W245-G262 PolarHBondContact NE1-O 2.78Å; Q260-G262 PolarHBondContact O-N 2.98Å
263T93.6Very high91.9Very high5 Ų559.7 Ų59.73%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-111.9142178.861.20000112.4L229 R232 V258 Q260 S261L229-T263 WeakPolarHBondContact O-CA 3.06Å; R232-T263 HydrophobicContact CG-CG2 4.25Å; V258-T263 WeakPolarHBondContact CG1-O 3.46Å; Q260-T263 PolarHBondContact N-OG1 2.82Å; Q260-T263 PolarHBondContact O-N 2.96Å; Q260-T263 PolarHBondContact O-OG1 3.46Å; S261-T263 VanDerWaalsContact C-N 3.33Å; S261-T263 PolarHBondContact O-N 3.46Å
264L94.8Very high92.4Very high2 Ų256.6 Ų56.61%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-126115.9177.3174.565.6000109.7V228 L229 W245 M256 V258 L266 F276V228-L264 CarbonylContact C-O 3.55Å; V228-L264 WeakPolarHBondContact CA-O 3.28Å; L229-L264 HydrophobicContact CB-CB 4.41Å; L229-L264 HydrophobicContact CD1-CD2 4.24Å; L229-L264 PolarHBondContact N-O 3.33Å; L229-L264 PolarHBondContact O-N 3.08Å; W245-L264 HydrophobicContact CB-CD1 4.44Å; W245-L264 HydrophobicContact CB-CD2 3.95Å; W245-L264 HydrophobicContact CD2-CB 3.8Å; W245-L264 HydrophobicContact CD2-CD2 3.79Å; W245-L264 HydrophobicContact CD2-CG 4.41Å; W245-L264 HydrophobicContact CE3-CB 4.42Å; W245-L264 HydrophobicContact CE3-CD2 3.77Å; W245-L264 HydrophobicContact CG-CB 3.88Å; W245-L264 HydrophobicContact CG-CD2 3.92Å; W245-L264 HydrophobicContact CG-CG 4.35Å; W245-L264 HydrophobicContact CZ2-CB 4.28Å; W245-L264 HydrophobicContact CZ3-CD2 4.47Å; M256-L264 HydrophobicContact CB-CD1 4.07Å; M256-L264 HydrophobicContact CE-CD1 4.04Å; M256-L264 HydrophobicContact CE-CD2 3.93Å; M256-L264 HydrophobicContact CG-CD1 4.5Å; V258-L264 HydrophobicContact CG2-CD1 4.31Å; L264-L266 HydrophobicContact CD1-CD2 4.18Å; L264-L266 HydrophobicContact CD2-CD2 3.93Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 3.91Å; L264-L266 HydrophobicContact CG-CG 4.18Å; L264-F276 HydrophobicContact CD2-CD1 3.95Å; L264-F276 HydrophobicContact CD2-CE1 4.45Å; L264-F276 HydrophobicContact CD2-CG 4.36Å
265K95.3Very high92.6Very high103 Ų10357.2 Ų57.245%0.44831%0.305SS..EExtended strand (participates in β ladder)trans-92.2129169.2-179.5170.7-179.7176.60109.4V228 K257 P259V228-K265 HydrophobicContact CG2-CB 4.16Å; V228-K265 HydrophobicContact CG2-CD 4.44Å; V228-K265 HydrophobicContact CG2-CG 4.07Å; K257-K265 HydrophobicContact CB-CB 4.49Å; K257-K265 PolarHBondContact N-O 2.99Å; K257-K265 PolarHBondContact O-N 2.72Å; P259-K265 HydrophobicContact CG-CB 4.46Å
266L95.4Very high92.8Very high0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-112.6142.2175.4-58172.2000109.5G226 V227 L229 V254 D255 M256 L264 L269 F276 V294G226-L266 VanDerWaalsContact CA-O 3.22Å; G226-L266 WeakPolarHBondContact CA-O 3.3Å; V227-L266 HydrophobicContact CG1-CB 4Å; V227-L266 HydrophobicContact CG1-CD1 3.81Å; V227-L266 HydrophobicContact CG1-CG 4.35Å; V227-L266 PolarHBondContact N-O 3.28Å; V227-L266 VanDerWaalsContact N-O 3.11Å; V227-L266 PolarHBondContact O-N 3.44Å; L229-L266 HydrophobicContact CD1-CD1 3.82Å; L229-L266 HydrophobicContact CG-CD1 4.38Å; V254-L266 HydrophobicContact CG2-CB 4.43Å; V254-L266 HydrophobicContact CG2-CD2 4.17Å; D255-L266 WeakPolarHBondContact O-CA 3.35Å; M256-L266 HydrophobicContact CB-CD2 4.44Å; M256-L266 HydrophobicContact CG-CD2 3.73Å; L264-L266 HydrophobicContact CD1-CD2 4.18Å; L264-L266 HydrophobicContact CD2-CD2 3.93Å; L264-L266 HydrophobicContact CD2-CG 4.35Å; L264-L266 HydrophobicContact CG-CD2 3.91Å; L264-L266 HydrophobicContact CG-CG 4.18Å; L266-L269 HydrophobicContact CB-CD1 3.7Å; L266-F276 HydrophobicContact CD1-CD2 3.99Å; L266-F276 HydrophobicContact CD1-CE1 3.93Å; L266-F276 HydrophobicContact CD1-CE2 3.32Å; L266-F276 HydrophobicContact CD1-CZ 3.3Å; L266-F276 HydrophobicContact CD2-CD1 4.43Å; L266-F276 HydrophobicContact CD2-CE1 3.62Å; L266-F276 HydrophobicContact CD2-CZ 3.69Å; L266-F276 HydrophobicContact CG-CE1 4.44Å; L266-F276 HydrophobicContact CG-CZ 4.14Å; L266-V294 HydrophobicContact CD1-CG2 4.41Å
267S94.1Very high92.9Very high21 Ų2154.3 Ų54.315%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-143.5158.717418.50000111.6D225 D255 L269D225-S267 CarbonylContact O-C 3.54Å; D255-S267 PolarHBondContact N-O 2.83Å; D255-S267 VanDerWaalsContact N-O 3.13Å; D255-S267 PolarHBondContact O-N 2.81Å; D255-S267 VanDerWaalsContact O-N 3.17Å; D255-S267 PolarHBondContact OD2-OG 3.12Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.49Å
268H90.7Very high93Very high125 Ų12549 Ų4958%0.57927%0.266SS*.SBendtrans59.637.6-176.9-48.2166.1000113.5D225D225-H268 PolarHBondContact O-N 3.42Å; D225-H268 VanDerWaalsContact OD2-CA 3.25Å; D225-H268 WeakPolarHBondContact OD2-CA 3.47Å; D225-H268 IonicContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-CD2 3.4Å; D225-H268 PolarHBondContact OD2-N 2.97Å; D225-H268 VanDerWaalsContact OD2-N 3.16Å
269L92.5Very high93.2Very high4 Ų445.6 Ų45.62%0.02125%0.246CC..PPolyproline II helixtrans-69.8139.1170.7-62.288.7000110.5L220 D225 V227 V254 L266 S267 Y274 V294 V296L220-L269 HydrophobicContact CD1-CD2 4.4Å; D225-L269 WeakPolarHBondContact O-CD1 3.45Å; D225-L269 PolarHBondContact O-N 3.26Å; V227-L269 HydrophobicContact CG1-CD1 4.49Å; V254-L269 HydrophobicContact CG2-CD1 4.42Å; V254-L269 HydrophobicContact CG2-CG 3.99Å; L266-L269 HydrophobicContact CB-CD1 3.7Å; S267-L269 VanDerWaalsContact C-N 3.33Å; S267-L269 PolarHBondContact O-N 3.49Å; L269-Y274 HydrophobicContact CB-CE2 4.16Å; L269-Y274 HydrophobicContact CD2-CD2 3.95Å; L269-Y274 HydrophobicContact CD2-CE2 4.13Å; L269-Y274 HydrophobicContact CD2-CG 4.36Å; L269-Y274 HydrophobicContact CG-CE2 4.49Å; L269-V294 HydrophobicContact CD2-CB 4.39Å; L269-V294 HydrophobicContact CD2-CG1 3.69Å; L269-V296 HydrophobicContact CB-CG2 3.74Å; L269-V296 HydrophobicContact CD2-CG2 3.76Å; L269-V296 HydrophobicContact CG-CG2 4.4Å
270Q92.1Very high93.6Very high108 Ų10841.6 Ų41.651%0.50522%0.22SC..PPolyproline II helixtrans-102.7173.3176.3-58.3-175.926.400110.5G272 Y274 V296Q270-G272 PolarHBondContact O-N 3Å; Q270-Y274 PolarHBondContact N-OH 3.29Å; Q270-Y274 WeakPolarHBondContact O-CE2 3.32Å; Q270-V296 WeakPolarHBondContact O-CB 3.32Å; Q270-V296 WeakPolarHBondContact O-CG1 3.48Å
271E91.4Very high93.9Very high105 Ų10537.5 Ų37.549%0.49120%0.201SC..SBendtrans-56.1124.9174.2-178.6-175.1175.100110.8V296 R298E271-V296 WeakPolarHBondContact CA-O 3.31Å; E271-R298 HydrophobicContact CG-CG 4.14Å; E271-R298 IonicContact OE1-CZ 3.31Å; E271-R298 VanDerWaalsContact OE1-CZ 3.31Å; E271-R298 IonicContact OE1-NE 2.83Å; E271-R298 PolarHBondContact OE1-NE 2.03Å; E271-R298 IonicContact OE1-NH2 2.91Å; E271-R298 PolarHBondContact OE1-NH2 3.08Å; E271-R298 WeakPolarHBondContact OE2-CD 3.39Å; E271-R298 WeakPolarHBondContact OE2-CG 3.44Å; E271-R298 IonicContact OE2-CZ 3.91Å; E271-R298 IonicContact OE2-NE 2.87Å; E271-R298 PolarHBondContact OE2-NE 2.98Å
272G91.8Very high94.1Very high29 Ų2933.8 Ų33.830%0.29918%0.175SC..EExtended strand (participates in β ladder)trans153.4178.8-179.100000114Q270 V296Q270-G272 PolarHBondContact O-N 3Å; G272-V296 PolarHBondContact N-O 2.91Å; G272-V296 PolarHBondContact O-N 3.37Å
273T95Very high94.2Very high70 Ų7037.7 Ų37.743%0.42920%0.199SC..EExtended strand (participates in β ladder)trans-107.6124.1173.9-54.70000109.8
274Y96.3Very high93.9Very high4 Ų440.8 Ų40.82%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-108.8137.6174.8-60.5-102.8000109L247 Q249 D251 V254 L269 Q270 F276 S293 V294 V296L247-Y274 HydrophobicContact CD1-CD1 4.18Å; Q249-Y274 CarbonylContact O-C 3.54Å; Q249-Y274 VanDerWaalsContact O-CA 3.25Å; Q249-Y274 WeakPolarHBondContact O-CA 3.41Å; D251-Y274 HydrophobicContact CB-CE1 4.08Å; V254-Y274 HydrophobicContact CB-CE1 4.21Å; V254-Y274 HydrophobicContact CG1-CE1 4.45Å; L269-Y274 HydrophobicContact CB-CE2 4.16Å; L269-Y274 HydrophobicContact CD2-CD2 3.95Å; L269-Y274 HydrophobicContact CD2-CE2 4.13Å; L269-Y274 HydrophobicContact CD2-CG 4.36Å; L269-Y274 HydrophobicContact CG-CE2 4.49Å; Q270-Y274 PolarHBondContact N-OH 3.29Å; Q270-Y274 WeakPolarHBondContact O-CE2 3.32Å; Y274-F276 VanDerWaalsContact CB-CE2 3.47Å; Y274-F276 HydrophobicContact CD1-CZ 4.39Å; Y274-F276 HydrophobicContact CG-CE2 4.39Å; Y274-F276 HydrophobicContact CG-CZ 4.44Å; Y274-S293 CarbonylContact O-C 3.55Å; Y274-S293 VanDerWaalsContact O-CA 3.28Å; Y274-S293 WeakPolarHBondContact O-CA 3.38Å; Y274-V294 PolarHBondContact N-O 2.89Å; Y274-V294 PolarHBondContact O-N 2.84Å; Y274-V296 HydrophobicContact CD2-CG2 4.35Å; Y274-V296 HydrophobicContact CE2-CG2 4.19Å
275T96.4Very high93.6Very high25 Ų2542.7 Ų42.715%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-119.9119.9174.8-560000108.9L248 Q249 N291L248-T275 PolarHBondContact N-O 2.97Å; Q249-T275 PolarHBondContact N-O 3.4Å; Q249-T275 PolarHBondContact O-N 2.96Å; Q249-T275 PolarHBondContact OE1-OG1 3.17Å; T275-N291 HydrophobicContact CG2-CB 4.46Å
276F96.4Very high93.4Very high0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-109139.1178-60.2-86.8000109.9L229 W245 A246 L247 M256 L264 L266 Y274 N291 V292 V294L229-F276 HydrophobicContact CD1-CB 4.29Å; L229-F276 HydrophobicContact CD1-CD2 3.88Å; L229-F276 HydrophobicContact CD1-CG 4.14Å; W245-F276 HydrophobicContact CE3-CB 4.28Å; W245-F276 HydrophobicContact CZ3-CB 4.34Å; A246-F276 CarbonylContact O-C 3.58Å; A246-F276 WeakPolarHBondContact O-CA 3.28Å; L247-F276 HydrophobicContact CB-CD1 4.32Å; L247-F276 HydrophobicContact CB-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CD1 3.94Å; L247-F276 HydrophobicContact CD1-CE1 3.46Å; L247-F276 VanDerWaalsContact CD1-CE1 3.46Å; L247-F276 HydrophobicContact CD1-CE2 4.45Å; L247-F276 HydrophobicContact CD1-CZ 3.73Å; L247-F276 HydrophobicContact CG-CE1 4.41Å; M256-F276 HydrophobicContact CE-CD1 4Å; M256-F276 HydrophobicContact CE-CE1 4.09Å; M256-F276 HydrophobicContact CG-CE1 4.48Å; M256-F276 HydrophobicContact SD-CE1 4.18Å; L264-F276 HydrophobicContact CD2-CD1 3.95Å; L264-F276 HydrophobicContact CD2-CE1 4.45Å; L264-F276 HydrophobicContact CD2-CG 4.36Å; L266-F276 HydrophobicContact CD1-CD2 3.99Å; L266-F276 HydrophobicContact CD1-CE1 3.93Å; L266-F276 HydrophobicContact CD1-CE2 3.32Å; L266-F276 HydrophobicContact CD1-CZ 3.3Å; L266-F276 HydrophobicContact CD2-CD1 4.43Å; L266-F276 HydrophobicContact CD2-CE1 3.62Å; L266-F276 HydrophobicContact CD2-CZ 3.69Å; L266-F276 HydrophobicContact CG-CE1 4.44Å; L266-F276 HydrophobicContact CG-CZ 4.14Å; Y274-F276 VanDerWaalsContact CB-CE2 3.47Å; Y274-F276 HydrophobicContact CD1-CZ 4.39Å; Y274-F276 HydrophobicContact CG-CE2 4.39Å; Y274-F276 HydrophobicContact CG-CZ 4.44Å; F276-N291 CarbonylContact O-C 3.57Å; F276-N291 WeakPolarHBondContact O-CA 3.38Å; F276-V292 HydrophobicContact CB-CG1 4.12Å; F276-V292 PolarHBondContact N-O 3.13Å; F276-V292 PolarHBondContact O-N 3.02Å; F276-V294 HydrophobicContact CD2-CG2 4.07Å; F276-V294 HydrophobicContact CE2-CB 4.27Å; F276-V294 HydrophobicContact CE2-CG2 3.98Å
277Q96.6Very high93.4Very high51 Ų5147.4 Ų47.424%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-107.1124.8172.5176.4163.790.300109.5W245 A246 L248 D290 N291W245-Q277 WeakPolarHBondContact CA-O 3.3Å; A246-Q277 PolarHBondContact N-O 3.4Å; A246-Q277 PolarHBondContact O-N 2.97Å; L248-Q277 HydrophobicContact CD1-CB 3.77Å; L248-Q277 HydrophobicContact CD2-CB 4.25Å; L248-Q277 HydrophobicContact CG-CB 3.82Å; Q277-D290 WeakPolarHBondContact CA-O 3.32Å; Q277-N291 WeakPolarHBondContact CB-OD1 3.27Å; Q277-N291 WeakPolarHBondContact CG-OD1 3.4Å; Q277-N291 PolarHBondContact NE2-OD1 2.97Å
278L96.5Very high93.5Very high0 Ų047.8 Ų47.80%027%0.265CS..EExtended strand (participates in β ladder)trans-88129.2162.5173.962.9000108.2K213 A214 Y243 E244 W245 V280 S289 D290K213-L278 WeakPolarHBondContact O-CD2 2.99Å; A214-L278 HydrophobicContact CB-CB 3.87Å; A214-L278 HydrophobicContact CB-CD2 4.4Å; Y243-L278 HydrophobicContact CD1-CD1 4.12Å; E244-L278 CarbonylContact O-C 3.34Å; W245-L278 HydrophobicContact CD2-CB 4.26Å; W245-L278 HydrophobicContact CD2-CD1 4.01Å; W245-L278 HydrophobicContact CE3-CB 3.93Å; W245-L278 HydrophobicContact CG-CD1 4.41Å; W245-L278 HydrophobicContact CH2-CB 3.91Å; W245-L278 HydrophobicContact CH2-CD2 4.44Å; W245-L278 HydrophobicContact CZ2-CB 4.22Å; W245-L278 HydrophobicContact CZ2-CD1 3.97Å; W245-L278 HydrophobicContact CZ2-CD2 4.31Å; W245-L278 HydrophobicContact CZ2-CG 4.39Å; W245-L278 HydrophobicContact CZ3-CB 3.75Å; L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CD2-CG2 3.89Å; L278-V280 HydrophobicContact CG-CG2 3.77Å; L278-S289 CarbonylContact O-C 3.32Å; L278-S289 WeakPolarHBondContact O-CA 2.82Å; L278-D290 PolarHBondContact N-O 2.98Å; L278-D290 PolarHBondContact O-N 2.88Å
279T96Very high93.7Very high22 Ų2244.7 Ų44.714%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-116.3133.5166.3-62.80000109.5E244 R287 S288 S289E244-T279 PolarHBondContact N-O 3.45Å; E244-T279 PolarHBondContact O-N 3.43Å; T279-R287 HydrophobicContact CG2-CB 4.47Å; T279-S288 CarbonylContact C-O 3.48Å; T279-S288 WeakPolarHBondContact CA-O 3.21Å; T279-S289 PolarHBondContact OG1-OG 2.9Å
280V95.7Very high93.9Very high0 Ų047.2 Ų47.20%027%0.271CS..EExtended strand (participates in β ladder)trans-121.7137.5-174.7-175.70000108.5P210 I240 Q242 Y243 L278 R287 S288P210-V280 HydrophobicContact CB-CG1 4.08Å; P210-V280 HydrophobicContact CG-CG1 4.37Å; I240-V280 HydrophobicContact CB-CG1 4.17Å; I240-V280 HydrophobicContact CD1-CG1 3.67Å; I240-V280 HydrophobicContact CG1-CG1 3.7Å; I240-V280 HydrophobicContact CG2-CG1 3.38Å; Q242-V280 WeakPolarHBondContact O-CA 3.48Å; Y243-V280 HydrophobicContact CD1-CG2 4.11Å; Y243-V280 HydrophobicContact CE1-CG1 4.5Å; Y243-V280 HydrophobicContact CE1-CG2 4.4Å; L278-V280 HydrophobicContact CD1-CG2 4.13Å; L278-V280 HydrophobicContact CD2-CG2 3.89Å; L278-V280 HydrophobicContact CG-CG2 3.77Å; V280-R287 VanDerWaalsContact O-CA 3.27Å; V280-R287 WeakPolarHBondContact O-CA 3.42Å; V280-S288 PolarHBondContact N-O 3.42Å; V280-S288 PolarHBondContact O-N 3.24Å
281M93.5Very high94.2Very high34 Ų3445.9 Ų45.917%0.16727%0.268CS..EExtended strand (participates in β ladder)trans-125.6137.3178.7-167.9173.471.700111.4V241 Q242 Q286 R287V241-M281 HydrophobicContact CG2-CB 4.47Å; V241-M281 HydrophobicContact CG2-CE 3.74Å; V241-M281 HydrophobicContact CG2-CG 4.48Å; V241-M281 PolarHBondContact N-O 3.35Å; Q242-M281 HydrophobicContact CB-CB 4.15Å; Q242-M281 HydrophobicContact CB-CE 4.1Å; Q242-M281 PolarHBondContact N-O 2.9Å; Q242-M281 PolarHBondContact O-N 3.05Å; Q242-M281 VanDerWaalsContact OE1-CE 3.26Å; M281-Q286 VanDerWaalsContact CA-O 3.31Å; M281-Q286 WeakPolarHBondContact CA-O 3.49Å; M281-Q286 WeakPolarHBondContact CG-O 3.46Å; M281-R287 HydrophobicContact CB-CG 4.04Å; M281-R287 HydrophobicContact CG-CG 3.79Å; M281-R287 HydrophobicContact SD-CG 4.22Å; M281-R287 PolarHBondContact SD-NE 3.14Å; M281-R287 PolarHBondContact SD-NH2 3.25Å
282D93.9Very high94.4Very high1 Ų141 Ų411%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-88.6-177.6178.568.122.6000113.2P210 D236 A239 V241 A284 G285 Q286P210-D282 HydrophobicContact CG-CB 4.24Å; D236-D282 WeakPolarHBondContact OD1-CB 3.17Å; A239-D282 CarbonylContact O-C 3.57Å; A239-D282 WeakPolarHBondContact O-CA 3.27Å; V241-D282 WeakPolarHBondContact CG2-O 3.36Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 2.91Å; D282-A284 VanDerWaalsContact OD1-C 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.43Å; D282-A284 PolarHBondContact OD1-N 3.42Å; D282-G285 PolarHBondContact O-N 3.34Å; D282-G285 PolarHBondContact OD1-N 2.91Å; D282-Q286 PolarHBondContact N-O 2.9Å; D282-Q286 VanDerWaalsContact N-O 3.12Å; D282-Q286 PolarHBondContact OD1-N 3.4Å; D282-Q286 WeakPolarHBondContact OD2-CB 3.49Å; D282-Q286 WeakPolarHBondContact OD2-CG 3.43Å; D282-Q286 PolarHBondContact OD2-NE2 2.88Å
283T89.5Confident94.6Very high82 Ų8241 Ų4150%0.50324%0.24SC..THydrogen-bonded Turntrans-67.7-22.117539.10000115.5H238 A239 V241H238-T283 WeakPolarHBondContact CB-OG1 3.47Å; A239-T283 HydrophobicContact CB-CG2 3.96Å; A239-T283 PolarHBondContact O-N 3.06Å; V241-T283 HydrophobicContact CG1-CG2 3.48Å; V241-T283 VanDerWaalsContact CG1-CG2 3.48Å
284A87.8Confident94.7Very high70 Ų7037.6 Ų37.658%0.57922%0.22SC*.THydrogen-bonded Turntrans-91-4.8176.100000113.6D207 D282 Q286D207-A284 WeakPolarHBondContact OD2-CB 3.45Å; D282-A284 VanDerWaalsContact C-N 3.33Å; D282-A284 PolarHBondContact O-N 2.91Å; D282-A284 VanDerWaalsContact OD1-C 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.43Å; D282-A284 PolarHBondContact OD1-N 3.42Å; A284-Q286 HydrophobicContact CB-CG 4.41Å
285G88.6Confident94.6Very high42 Ų4239.2 Ų39.243%0.43323%0.23SC..SBendtrans85.59.3-177.200000114.9D282D282-G285 PolarHBondContact O-N 3.34Å; D282-G285 PolarHBondContact OD1-N 2.91Å
286Q92Very high94.5Very high59 Ų5938 Ų3828%0.27622%0.223SC..  trans-72.4154.1170.6-34.117286.800109.5D207 A208 P209 M281 D282 A284D207-Q286 VanDerWaalsContact CG-NE2 3.29Å; D207-Q286 PolarHBondContact OD2-NE2 2.96Å; A208-Q286 PolarHBondContact O-NE2 3.38Å; P209-Q286 HydrophobicContact CB-CB 4.18Å; M281-Q286 VanDerWaalsContact CA-O 3.31Å; M281-Q286 WeakPolarHBondContact CA-O 3.49Å; M281-Q286 WeakPolarHBondContact CG-O 3.46Å; D282-Q286 PolarHBondContact N-O 2.9Å; D282-Q286 VanDerWaalsContact N-O 3.12Å; D282-Q286 PolarHBondContact OD1-N 3.4Å; D282-Q286 WeakPolarHBondContact OD2-CB 3.49Å; D282-Q286 WeakPolarHBondContact OD2-CG 3.43Å; D282-Q286 PolarHBondContact OD2-NE2 2.88Å; A284-Q286 HydrophobicContact CB-CG 4.41Å
287R94.4Very high94.2Very high144 Ų14441.5 Ų41.554%0.54324%0.241SC..EExtended strand (participates in β ladder)trans-134.4149.8-171.7-65.2-178.3-178.7-155.3-5.7112T279 V280 M281T279-R287 HydrophobicContact CG2-CB 4.47Å; V280-R287 VanDerWaalsContact O-CA 3.27Å; V280-R287 WeakPolarHBondContact O-CA 3.42Å; M281-R287 HydrophobicContact CB-CG 4.04Å; M281-R287 HydrophobicContact CG-CG 3.79Å; M281-R287 HydrophobicContact SD-CG 4.22Å; M281-R287 PolarHBondContact SD-NE 3.14Å; M281-R287 PolarHBondContact SD-NH2 3.25Å
288S95.7Very high93.7Very high29 Ų2947 Ų4720%0.20326%0.259CS..EExtended strand (participates in β ladder)trans-143.6143.6178.6-163.40000109.6P210 S212 T279 V280P210-S288 WeakPolarHBondContact O-CB 3.14Å; P210-S288 PolarHBondContact O-OG 2.89Å; S212-S288 PolarHBondContact OG-OG 3.3Å; T279-S288 CarbonylContact C-O 3.48Å; T279-S288 WeakPolarHBondContact CA-O 3.21Å; V280-S288 PolarHBondContact N-O 3.42Å; V280-S288 PolarHBondContact O-N 3.24Å
289S96.4Very high92.7Very high60 Ų6048.1 Ų48.142%0.4227%0.269SS..EExtended strand (participates in β ladder)trans-131.8137.9-175.7-55.30000111.4S212 L278 T279S212-S289 WeakPolarHBondContact OG-CA 3.43Å; S212-S289 PolarHBondContact OG-N 2.86Å; S212-S289 PolarHBondContact OG-O 3.33Å; L278-S289 CarbonylContact O-C 3.32Å; L278-S289 WeakPolarHBondContact O-CA 2.82Å; T279-S289 PolarHBondContact OG1-OG 2.9Å
290D96.8Very high91.1Very high57 Ų5750.3 Ų50.331%0.30529%0.289SS..EExtended strand (participates in β ladder)trans-133149.8176.8-17329.8000110.2S212 K213 A214 Q277 L278S212-D290 PolarHBondContact OG-N 3.45Å; K213-D290 WeakPolarHBondContact CA-OD2 3.38Å; A214-D290 HydrophobicContact CB-CB 4.11Å; A214-D290 PolarHBondContact N-OD2 3.43Å; Q277-D290 WeakPolarHBondContact CA-O 3.32Å; L278-D290 PolarHBondContact N-O 2.98Å; L278-D290 PolarHBondContact O-N 2.88Å
291N96.7Very high89.3Confident79 Ų7955.5 Ų55.542%0.42231%0.31SS..EExtended strand (participates in β ladder)trans-117.3138.6-172.8-63.9-17.2000110.7T275 F276 Q277T275-N291 HydrophobicContact CG2-CB 4.46Å; F276-N291 CarbonylContact O-C 3.57Å; F276-N291 WeakPolarHBondContact O-CA 3.38Å; Q277-N291 WeakPolarHBondContact CB-OD1 3.27Å; Q277-N291 WeakPolarHBondContact CG-OD1 3.4Å; Q277-N291 PolarHBondContact NE2-OD1 2.97Å
292V96.5Very high87.2Confident2 Ų259.3 Ų59.31%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-129136.717461.20000110A214 Q216 L229 W245 F276A214-V292 HydrophobicContact CB-CB 3.86Å; A214-V292 HydrophobicContact CB-CG1 3.87Å; Q216-V292 WeakPolarHBondContact O-CG2 3.39Å; L229-V292 HydrophobicContact CD1-CG1 3.8Å; L229-V292 HydrophobicContact CD2-CG1 4.37Å; L229-V292 HydrophobicContact CD2-CG2 4.27Å; W245-V292 HydrophobicContact CH2-CG1 4.4Å; W245-V292 HydrophobicContact CZ3-CG1 3.93Å; F276-V292 HydrophobicContact CB-CG1 4.12Å; F276-V292 PolarHBondContact N-O 3.13Å; F276-V292 PolarHBondContact O-N 3.02Å
293S95.9Very high85.3Confident29 Ų2966.3 Ų66.320%0.20338%0.382CS..EExtended strand (participates in β ladder)trans-101.3141175.670.80000112.1D217 V218 Y274D217-S293 CarbonylContact C-O 3.56Å; D217-S293 VanDerWaalsContact CA-O 3.31Å; D217-S293 WeakPolarHBondContact CA-O 3.2Å; D217-S293 WeakPolarHBondContact OD1-CA 3.24Å; D217-S293 WeakPolarHBondContact OD1-CB 3.16Å; D217-S293 PolarHBondContact OD1-N 2.96Å; D217-S293 PolarHBondContact OD1-OG 3.06Å; V218-S293 PolarHBondContact N-O 3.47Å; Y274-S293 CarbonylContact O-C 3.55Å; Y274-S293 VanDerWaalsContact O-CA 3.28Å; Y274-S293 WeakPolarHBondContact O-CA 3.38Å
294V96.3Very high83.3Confident0 Ų065.4 Ų65.40%039%0.389CS..EExtended strand (participates in β ladder)trans-119.5109.9172.6-1770000107.3V218 L220 V227 L229 L266 L269 Y274 F276 V296V218-V294 HydrophobicContact CB-CG2 4.44Å; V218-V294 CarbonylContact O-C 3.56Å; V218-V294 WeakPolarHBondContact O-CA 3.11Å; L220-V294 HydrophobicContact CD1-CG1 4.02Å; L220-V294 HydrophobicContact CG-CG1 4.23Å; V227-V294 HydrophobicContact CG1-CG1 4.16Å; V227-V294 HydrophobicContact CG1-CG2 4.39Å; L229-V294 HydrophobicContact CD1-CG2 4.11Å; L229-V294 HydrophobicContact CD2-CG2 4.02Å; L266-V294 HydrophobicContact CD1-CG2 4.41Å; L269-V294 HydrophobicContact CD2-CB 4.39Å; L269-V294 HydrophobicContact CD2-CG1 3.69Å; Y274-V294 PolarHBondContact N-O 2.89Å; Y274-V294 PolarHBondContact O-N 2.84Å; F276-V294 HydrophobicContact CD2-CG2 4.07Å; F276-V294 HydrophobicContact CE2-CB 4.27Å; F276-V294 HydrophobicContact CE2-CG2 3.98Å; V294-V296 HydrophobicContact CG1-CG2 4.36Å
295T94.5Very high81.9Confident37 Ų3765.2 Ų65.223%0.22740%0.395CS..EExtended strand (participates in β ladder)trans-99.3114.2177.1-59.50000109.2V218 V219 L220 L297V218-T295 PolarHBondContact O-N 2.9Å; V219-T295 CarbonylContact C-O 3.37Å; V219-T295 WeakPolarHBondContact CA-O 3.36Å; L220-T295 PolarHBondContact N-O 3.25Å; T295-L297 HydrophobicContact CG2-CD2 3.88Å; T295-L297 HydrophobicContact CG2-CG 4.21Å
296V94.8Very high80.7Confident1 Ų165.7 Ų65.71%0.00639%0.391CS..EExtended strand (participates in β ladder)trans-97.3110.8174.7-173.40000108.6L220 L222 L269 Q270 E271 G272 Y274 V294L220-V296 HydrophobicContact CB-CG1 4.46Å; L220-V296 HydrophobicContact CB-CG2 4.24Å; L220-V296 HydrophobicContact CD1-CG2 4.16Å; L222-V296 HydrophobicContact CD2-CG1 4.04Å; L222-V296 HydrophobicContact CG-CG1 4.13Å; L269-V296 HydrophobicContact CB-CG2 3.74Å; L269-V296 HydrophobicContact CD2-CG2 3.76Å; L269-V296 HydrophobicContact CG-CG2 4.4Å; Q270-V296 WeakPolarHBondContact O-CB 3.32Å; Q270-V296 WeakPolarHBondContact O-CG1 3.48Å; E271-V296 WeakPolarHBondContact CA-O 3.31Å; G272-V296 PolarHBondContact N-O 2.91Å; G272-V296 PolarHBondContact O-N 3.37Å; Y274-V296 HydrophobicContact CD2-CG2 4.35Å; Y274-V296 HydrophobicContact CE2-CG2 4.19Å; V294-V296 HydrophobicContact CG1-CG2 4.36Å
297L90.8Very high79.3Confident73 Ų7368.9 Ų68.938%0.38241%0.409SS..EExtended strand (participates in β ladder)trans-91.2156.8173-60178.2000109.7V219 L220 H221 L222 T295V219-L297 HydrophobicContact CG1-CD1 3.69Å; V219-L297 HydrophobicContact CG1-CG 4.08Å; L220-L297 PolarHBondContact O-N 2.82Å; H221-L297 WeakPolarHBondContact CA-O 3.36Å; L222-L297 PolarHBondContact N-O 2.94Å; L222-L297 VanDerWaalsContact N-O 3.07Å; T295-L297 HydrophobicContact CG2-CD2 3.88Å; T295-L297 HydrophobicContact CG2-CG 4.21Å
298R84.7Confident77.9Confident165 Ų16568.7 Ų68.762%0.62341%0.414SS*.  trans-55.9163.5167.6-59-176.3-145.5132.223110.9H221 E271 A300H221-R298 PolarHBondContact ND1-O 3.48Å; H221-R298 VanDerWaalsContact ND1-O 3.11Å; E271-R298 HydrophobicContact CG-CG 4.14Å; E271-R298 IonicContact OE1-CZ 3.31Å; E271-R298 VanDerWaalsContact OE1-CZ 3.31Å; E271-R298 IonicContact OE1-NE 2.83Å; E271-R298 PolarHBondContact OE1-NE 2.03Å; E271-R298 IonicContact OE1-NH2 2.91Å; E271-R298 PolarHBondContact OE1-NH2 3.08Å; E271-R298 WeakPolarHBondContact OE2-CD 3.39Å; E271-R298 WeakPolarHBondContact OE2-CG 3.44Å; E271-R298 IonicContact OE2-CZ 3.91Å; E271-R298 IonicContact OE2-NE 2.87Å; E271-R298 PolarHBondContact OE2-NE 2.98Å; R298-A300 PolarHBondContact O-N 2.91Å
299A76.1Confident76.8Confident25 Ų2572.7 Ų72.721%0.20744%0.437CS..  trans-51.7109.3164.200000108.6L222 Y301L222-A299 VanDerWaalsContact O-CA 3.24Å; L222-A299 WeakPolarHBondContact O-CA 3.39Å; L222-A299 WeakPolarHBondContact O-CB 3.27Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 HydrophobicContact CB-CE1 4.15Å; A299-Y301 HydrophobicContact CB-CE2 3.98Å; A299-Y301 PolarHBondContact O-N 2.82Å
300A61.7Low75.9Confident68 Ų6871.5 Ų71.556%0.56243%0.428SS*.  trans-81.386.3178.500000107.7R298 S302R298-A300 PolarHBondContact O-N 2.91Å; A300-S302 PolarHBondContact O-N 3.14Å
301Y58.2Low74.9Confident109 Ų10972.5 Ų72.543%0.42744%0.44SS..  trans-60.3107.3169.9-60-63.2000108.3A299 T303 L327 Q334A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 HydrophobicContact CB-CE1 4.15Å; A299-Y301 HydrophobicContact CB-CE2 3.98Å; A299-Y301 PolarHBondContact O-N 2.82Å; Y301-T303 PolarHBondContact O-N 3Å; Y301-L327 HydrophobicContact CE1-CD1 3.46Å; Y301-L327 VanDerWaalsContact CE1-CD1 3.46Å; Y301-L327 WeakPolarHBondContact OH-CD1 3.37Å; Y301-L327 WeakPolarHBondContact OH-CD2 3.36Å; Y301-Q334 HydrophobicContact CD2-CG 4.37Å; Y301-Q334 HydrophobicContact CE2-CB 4.49Å; Y301-Q334 HydrophobicContact CE2-CG 3.85Å
302S50Low74Confident114 Ų11479.5 Ų79.580%0.79746%0.461SS*.  trans-64.4103.6169.4-76.80000107.9A300 G304A300-S302 PolarHBondContact O-N 3.14Å; S302-G304 PolarHBondContact O-N 3.4Å
303T53.5Low73.2Confident147 Ų14787.7 Ų87.790%0.90249%0.493SS*.  trans-69.152.1160.544.10000110Y301Y301-T303 PolarHBondContact O-N 3Å
304G48.8Very low72.6Confident63 Ų6390.2 Ų90.265%0.64950%0.501SS*.SBendtrans-126.757.4-16400000111.9S302S302-G304 PolarHBondContact O-N 3.4Å
305G57.8Low72Confident67 Ų6792.6 Ų92.669%0.69151%0.511SS*.  trans86.4109.5172.100000114.2L307G305-L307 PolarHBondContact O-N 3.32Å
306C62.6Low71.4Confident52 Ų5295.6 Ų95.635%0.35152%0.521SS..  trans-61.5120.5168.1-57.90000110.1C321C306-C321 WeakPolarHBondContact CA-SG 3.49Å; C306-C321 HydrophobicContact CB-CB 3.86Å; C306-C321 WeakPolarHBondContact CB-SG 3.35Å; C306-C321 WeakPolarHBondContact SG-CB 3.34Å; C306-C321 CovalentContact SG-SG 2.04Å; C306-C321 PolarHBondContact SG-SG 2.75Å
307L63.9Low70.9Confident126 Ų12695.5 Ų95.566%0.6652%0.521SS*.  trans-98108.9171.1-172.675.5000107.6G305 T309 G320 C322G305-L307 PolarHBondContact O-N 3.32Å; L307-T309 PolarHBondContact O-N 2.85Å; L307-G320 CarbonylContact C-O 3.52Å; L307-C322 PolarHBondContact O-SG 3.25Å
308H63.4Low70.5Confident140 Ų14098.1 Ų98.165%0.64854%0.535SS*.SBendtrans-61.919.9-178.1-60-70.8000115.8
309T73.7Confident69.9Low113 Ų11394.7 Ų94.769%0.69353%0.529SS*.  trans-134.585.5177.1-55.20000109.2L307L307-T309 PolarHBondContact O-N 2.85Å
310C76.6Confident69.9Low34 Ų3493.5 Ų93.523%0.2352%0.52CS..  trans-74.4143.4175.3-55.60000111.5H314 F316 C322C310-H314 HydrophobicContact CB-CB 4.1Å; C310-F316 VanDerWaalsContact SG-CD2 3.55Å; C310-C322 WeakPolarHBondContact CA-SG 3.25Å; C310-C322 HydrophobicContact CB-CB 3.93Å; C310-C322 WeakPolarHBondContact CB-SG 3.5Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.34Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.41Å
311S77.3Confident70.8Confident78 Ų7891.4 Ų91.455%0.54550%0.5SS..  trans-74.7157.9168-67.80000110.5Y313 H314S311-Y313 PolarHBondContact O-N 3.28Å; S311-H314 PolarHBondContact O-N 2.93Å
312R77.8Confident72.1Confident227 Ų22788.3 Ų88.386%0.85749%0.494SS*.THydrogen-bonded Turntrans-53-16.2-176.8-175.6173.5-179.2-173.91.8116.3
313Y79Confident73.5Confident174 Ų17483.4 Ų83.468%0.68246%0.459SS*.THydrogen-bonded Turntrans-103.28.2-179.1-57.8-74.5000113.7S311 I325S311-Y313 PolarHBondContact O-N 3.28Å; Y313-I325 WeakPolarHBondContact O-CB 3.45Å; Y313-I325 WeakPolarHBondContact O-CG2 3.32Å; Y313-I325 PolarHBondContact O-N 2.99Å
314H83.6Confident74.8Confident82 Ų8279.7 Ų79.738%0.3843%0.434SS..EExtended strand (participates in β ladder)trans-112144.9175.6-64.592.5000110.1C310 S311 C322 I323C310-H314 HydrophobicContact CB-CB 4.1Å; S311-H314 PolarHBondContact O-N 2.93Å; H314-C322 HydrophobicContact CB-CB 4.17Å; H314-I323 CarbonylContact C-O 3.58Å; H314-I323 WeakPolarHBondContact CA-O 3.49Å; H314-I323 WeakPolarHBondContact CB-O 3.04Å; H314-I323 PolarHBondContact CD2-O 2.85Å
315F82.8Confident76.3Confident49 Ų4981.4 Ų81.422%0.21543%0.427CS..EExtended strand (participates in β ladder)trans-76.2146.8163.5-179.5-95.6000109.6C322 I323 A328 D340F315-C322 WeakPolarHBondContact O-CA 3.49Å; F315-I323 HydrophobicContact CB-CD1 4.46Å; F315-I323 HydrophobicContact CB-CG1 3.84Å; F315-I323 HydrophobicContact CD1-CD1 4.03Å; F315-I323 HydrophobicContact CD1-CG1 3.98Å; F315-I323 HydrophobicContact CG-CG1 4.39Å; F315-I323 PolarHBondContact N-O 3.35Å; F315-I323 PolarHBondContact O-N 2.82Å; F315-I323 VanDerWaalsContact O-N 3.1Å; F315-A328 HydrophobicContact CB-CB 4.1Å; F315-A328 HydrophobicContact CD1-CB 4.3Å; F315-A328 HydrophobicContact CD2-CB 3.69Å; F315-A328 HydrophobicContact CE2-CB 4.14Å; F315-A328 HydrophobicContact CG-CB 3.78Å; F315-D340 HydrophobicContact CD1-CB 4.24Å; F315-D340 HydrophobicContact CE1-CB 3.97Å
316F83.4Confident77.4Confident100 Ų10083.2 Ų83.244%0.43943%0.425SS..EExtended strand (participates in β ladder)trans-107.2111.8-179.2178.6-83.1000107.6C310C310-F316 VanDerWaalsContact SG-CD2 3.55Å
317C83.9Confident78.2Confident0 Ų081.7 Ų81.70%041%0.413CS..  trans-67.7154.6170.4-490000109.9D319 G320 C321 C335 D337C317-D319 VanDerWaalsContact C-N 3.27Å; C317-D319 PolarHBondContact O-N 2.78Å; C317-G320 WeakPolarHBondContact O-CA 3.31Å; C317-G320 PolarHBondContact O-N 3Å; C317-C321 HydrophobicContact CB-CB 4.06Å; C317-C321 PolarHBondContact N-O 2.05Å; C317-C335 HydrophobicContact CB-CB 3.78Å; C317-C335 WeakPolarHBondContact CB-SG 3.47Å; C317-C335 VanDerWaalsContact SG-CA 3.54Å; C317-C335 WeakPolarHBondContact SG-CB 3.42Å; C317-C335 CovalentContact SG-SG 2.04Å; C317-C335 PolarHBondContact SG-SG 3.47Å; C317-D337 WeakPolarHBondContact CB-OD1 3.35Å
318D81Confident79.2Confident127 Ų12776.8 Ų76.868%0.67939%0.391SS*.THydrogen-bonded Turntrans-68.4-28.2179.3-68.6-50.3000112G320 D337 S339D318-G320 PolarHBondContact O-N 3.14Å; D318-G320 VanDerWaalsContact O-N 3.08Å; D318-D337 WeakPolarHBondContact CA-OD2 3.42Å; D318-D337 PolarHBondContact N-OD2 2.79Å; D318-S339 VanDerWaalsContact OD2-CB 3.24Å; D318-S339 WeakPolarHBondContact OD2-CB 3.35Å; D318-S339 PolarHBondContact OD2-OG 3Å
319D72.8Confident80.2Confident93 Ų9372.8 Ų72.850%0.49738%0.378SS..THydrogen-bonded Turntrans-64-4.3166.7-86.4-9000113.7C317 C321 D337C317-D319 VanDerWaalsContact C-N 3.27Å; C317-D319 PolarHBondContact O-N 2.78Å; D319-C321 VanDerWaalsContact C-N 3.32Å; D319-D337 HydrophobicContact CB-CB 4.25Å; D319-D337 PolarHBondContact N-OD2 3.37Å
320G75.8Confident80.6Confident1 Ų171 Ų711%0.0136%0.364CS..SBendtrans78.115.7179.700000114.4L307 C317 D318L307-G320 CarbonylContact C-O 3.52Å; C317-G320 WeakPolarHBondContact O-CA 3.31Å; C317-G320 PolarHBondContact O-N 3Å; D318-G320 PolarHBondContact O-N 3.14Å; D318-G320 VanDerWaalsContact O-N 3.08Å
321C81.8Confident80.7Confident23 Ų2372.3 Ų72.316%0.15538%0.383CS..  trans-78.8158.4168.5-105.70000111.6C306 C317 D319C306-C321 WeakPolarHBondContact CA-SG 3.49Å; C306-C321 HydrophobicContact CB-CB 3.86Å; C306-C321 WeakPolarHBondContact CB-SG 3.35Å; C306-C321 WeakPolarHBondContact SG-CB 3.34Å; C306-C321 CovalentContact SG-SG 2.04Å; C306-C321 PolarHBondContact SG-SG 2.75Å; C317-C321 HydrophobicContact CB-CB 4.06Å; C317-C321 PolarHBondContact N-O 2.05Å; D319-C321 VanDerWaalsContact C-N 3.32Å
322C84.5Confident80.8Confident44 Ų4472.7 Ų72.730%0.29738%0.382SS..EExtended strand (participates in β ladder)trans-119.8122.4179.1-53.50000110.1L307 C310 H314 F315L307-C322 PolarHBondContact O-SG 3.25Å; C310-C322 WeakPolarHBondContact CA-SG 3.25Å; C310-C322 HydrophobicContact CB-CB 3.93Å; C310-C322 WeakPolarHBondContact CB-SG 3.5Å; C310-C322 VanDerWaalsContact SG-CA 3.54Å; C310-C322 WeakPolarHBondContact SG-CB 3.34Å; C310-C322 CovalentContact SG-SG 2.03Å; C310-C322 PolarHBondContact SG-SG 3.41Å; H314-C322 HydrophobicContact CB-CB 4.17Å; F315-C322 WeakPolarHBondContact O-CA 3.49Å
323I79.1Confident81.2Confident12 Ų1268.8 Ų68.86%0.06237%0.373CS..EExtended strand (participates in β ladder)trans-115.3164.8170.967.9172.3000109.5H314 F315 L327 Q334 D340H314-I323 CarbonylContact C-O 3.58Å; H314-I323 WeakPolarHBondContact CA-O 3.49Å; H314-I323 WeakPolarHBondContact CB-O 3.04Å; H314-I323 PolarHBondContact CD2-O 2.85Å; F315-I323 HydrophobicContact CB-CD1 4.46Å; F315-I323 HydrophobicContact CB-CG1 3.84Å; F315-I323 HydrophobicContact CD1-CD1 4.03Å; F315-I323 HydrophobicContact CD1-CG1 3.98Å; F315-I323 HydrophobicContact CG-CG1 4.39Å; F315-I323 PolarHBondContact N-O 3.35Å; F315-I323 PolarHBondContact O-N 2.82Å; F315-I323 VanDerWaalsContact O-N 3.1Å; I323-L327 HydrophobicContact CB-CD1 4.4Å; I323-L327 HydrophobicContact CD1-CB 4.12Å; I323-Q334 HydrophobicContact CD1-CB 4.26Å; I323-Q334 HydrophobicContact CG2-CB 4.12Å; I323-D340 HydrophobicContact CD1-CB 3.55Å; I323-D340 WeakPolarHBondContact CD1-OD2 3.11Å
324D81.3Confident81.3Confident69 Ų6961.8 Ų61.837%0.36935%0.347SS..EExtended strand (participates in β ladder)trans-64.2142.4174.2-162.3-59.3000110.4T326 L327D324-T326 PolarHBondContact O-N 3.01Å; D324-T326 VanDerWaalsContact O-N 3.15Å; D324-T326 PolarHBondContact OD1-N 3.36Å; D324-T326 PolarHBondContact OD1-OG1 3.28Å; D324-L327 HydrophobicContact CB-CD1 3.81Å; D324-L327 HydrophobicContact CB-CG 4.11Å; D324-L327 WeakPolarHBondContact O-CB 3.48Å; D324-L327 PolarHBondContact O-N 3.02Å; D324-L327 VanDerWaalsContact O-N 3.08Å
325I81Confident81.2Confident98 Ų9858.1 Ų58.150%0.50333%0.33SS..THydrogen-bonded Turntrans-60.9-21.2178.4-165.6169.8000113.3Y313 L327Y313-I325 WeakPolarHBondContact O-CB 3.45Å; Y313-I325 WeakPolarHBondContact O-CG2 3.32Å; Y313-I325 PolarHBondContact O-N 2.99Å; I325-L327 PolarHBondContact O-N 2.83Å
326T79.7Confident81.1Confident106 Ų10660 Ų6065%0.6535%0.347SS*.THydrogen-bonded Turntrans-73.2-11176.362.30000114.4D324D324-T326 PolarHBondContact O-N 3.01Å; D324-T326 VanDerWaalsContact O-N 3.15Å; D324-T326 PolarHBondContact OD1-N 3.36Å; D324-T326 PolarHBondContact OD1-OG1 3.28Å
327L80Confident80.9Confident20 Ų2057.2 Ų57.211%0.10534%0.337CS..THydrogen-bonded Turntrans-98.3-24.3-173.7-58.7169.9000112.4Y301 I323 D324 I325 C329 D330 Q334Y301-L327 HydrophobicContact CE1-CD1 3.46Å; Y301-L327 VanDerWaalsContact CE1-CD1 3.46Å; Y301-L327 WeakPolarHBondContact OH-CD1 3.37Å; Y301-L327 WeakPolarHBondContact OH-CD2 3.36Å; I323-L327 HydrophobicContact CB-CD1 4.4Å; I323-L327 HydrophobicContact CD1-CB 4.12Å; D324-L327 HydrophobicContact CB-CD1 3.81Å; D324-L327 HydrophobicContact CB-CG 4.11Å; D324-L327 WeakPolarHBondContact O-CB 3.48Å; D324-L327 PolarHBondContact O-N 3.02Å; D324-L327 VanDerWaalsContact O-N 3.08Å; I325-L327 PolarHBondContact O-N 2.83Å; L327-C329 PolarHBondContact O-N 2.99Å; L327-D330 WeakPolarHBondContact O-CB 3.07Å; L327-D330 PolarHBondContact O-N 2.93Å; L327-Q334 HydrophobicContact CB-CG 4.48Å; L327-Q334 PolarHBondContact O-OE1 2.81Å
328A84Confident80.7Confident23 Ų2357.3 Ų57.319%0.1934%0.338CS..THydrogen-bonded Turntrans-61.3127.3171.700000110.8F315F315-A328 HydrophobicContact CB-CB 4.1Å; F315-A328 HydrophobicContact CD1-CB 4.3Å; F315-A328 HydrophobicContact CD2-CB 3.69Å; F315-A328 HydrophobicContact CE2-CB 4.14Å; F315-A328 HydrophobicContact CG-CB 3.78Å
329C85.6Confident80.9Confident55 Ų5552 Ų5237%0.37231%0.311SS..THydrogen-bonded Turntrans63.633.7-175.3-47.70000115L327 D340 E341 C344L327-C329 PolarHBondContact O-N 2.99Å; C329-D340 PolarHBondContact N-O 3.36Å; C329-E341 VanDerWaalsContact C-OE1 3.24Å; C329-E341 WeakPolarHBondContact CA-OE1 3.08Å; C329-E341 PolarHBondContact N-OE1 2.86Å; C329-E341 VanDerWaalsContact N-OE1 3.08Å; C329-C344 WeakPolarHBondContact CA-SG 3.35Å; C329-C344 HydrophobicContact CB-CB 3.78Å; C329-C344 WeakPolarHBondContact CB-SG 3.36Å; C329-C344 VanDerWaalsContact SG-CA 3.6Å; C329-C344 WeakPolarHBondContact SG-CB 3.21Å; C329-C344 CovalentContact SG-SG 2.02Å; C329-C344 PolarHBondContact SG-SG 2.83Å
330D81.8Confident81.5Confident77 Ų7747.7 Ų47.741%0.41229%0.288SS..SBendtrans-90.5-6.6173.689.3-5000114.1L327 V332 Q334 E341L327-D330 WeakPolarHBondContact O-CB 3.07Å; L327-D330 PolarHBondContact O-N 2.93Å; D330-V332 WeakPolarHBondContact OD1-CB 3.46Å; D330-V332 PolarHBondContact OD1-N 3.32Å; D330-Q334 VanDerWaalsContact CG-NE2 3.25Å; D330-Q334 PolarHBondContact OD1-NE2 3.42Å; D330-Q334 PolarHBondContact OD2-NE2 3.45Å; D330-Q334 VanDerWaalsContact OD2-NE2 3.15Å; D330-E341 PolarHBondContact N-OE1 3.47Å
331G78.1Confident82.2Confident60 Ų6049.7 Ų49.762%0.61930%0.297SS*.SBendtrans92.54.8179.700000114.3E341G331-E341 WeakPolarHBondContact CA-OE2 3.45Å; G331-E341 PolarHBondContact N-OE1 3.37Å; G331-E341 PolarHBondContact N-OE2 3.05Å; G331-E341 VanDerWaalsContact N-OE2 3.08Å
332V80.7Confident82.3Confident86 Ų8653.8 Ų53.852%0.52132%0.318SS..SBendtrans-125137.7177.31780000108.8D330 Q334 E341D330-V332 WeakPolarHBondContact OD1-CB 3.46Å; D330-V332 PolarHBondContact OD1-N 3.32Å; V332-Q334 PolarHBondContact O-N 2.96Å; V332-Q334 PolarHBondContact O-NE2 2.99Å; V332-Q334 PolarHBondContact O-OE1 3.12Å; V332-E341 WeakPolarHBondContact O-CG 3.37Å
333Q84.3Confident81.6Confident145 Ų14559.1 Ų59.168%0.67834%0.336SS*.  trans-80115.1174.8-69.6164.859.800109.7E341Q333-E341 HydrophobicContact CG-CB 4.5Å; Q333-E341 HydrophobicContact CG-CG 4.3Å
334Q81.5Confident81.5Confident27 Ų2759.8 Ų59.813%0.12634%0.342CS..  trans-107.1-28.1169-50.690.321.500112.5Y301 I323 L327 D330 V332 D340Y301-Q334 HydrophobicContact CD2-CG 4.37Å; Y301-Q334 HydrophobicContact CE2-CB 4.49Å; Y301-Q334 HydrophobicContact CE2-CG 3.85Å; I323-Q334 HydrophobicContact CD1-CB 4.26Å; I323-Q334 HydrophobicContact CG2-CB 4.12Å; L327-Q334 HydrophobicContact CB-CG 4.48Å; L327-Q334 PolarHBondContact O-OE1 2.81Å; D330-Q334 VanDerWaalsContact CG-NE2 3.25Å; D330-Q334 PolarHBondContact OD1-NE2 3.42Å; D330-Q334 PolarHBondContact OD2-NE2 3.45Å; D330-Q334 VanDerWaalsContact OD2-NE2 3.15Å; V332-Q334 PolarHBondContact O-N 2.96Å; V332-Q334 PolarHBondContact O-NE2 2.99Å; V332-Q334 PolarHBondContact O-OE1 3.12Å; Q334-D340 WeakPolarHBondContact CA-OD2 3.11Å; Q334-D340 PolarHBondContact N-OD2 3.21Å; Q334-D340 PolarHBondContact OE1-OD2 3.03Å
335C81.5Confident80.7Confident5 Ų564.6 Ų64.63%0.03436%0.362CS..SBendtrans-65.2132.8166.2-76.10000109.5C317 D337 G338 D340C317-C335 HydrophobicContact CB-CB 3.78Å; C317-C335 WeakPolarHBondContact CB-SG 3.47Å; C317-C335 VanDerWaalsContact SG-CA 3.54Å; C317-C335 WeakPolarHBondContact SG-CB 3.42Å; C317-C335 CovalentContact SG-SG 2.04Å; C317-C335 PolarHBondContact SG-SG 3.47Å; C335-D337 VanDerWaalsContact CB-OD1 3.31Å; C335-D337 WeakPolarHBondContact CB-OD1 3.47Å; C335-D337 PolarHBondContact O-N 3.33Å; C335-D337 VanDerWaalsContact O-N 3.17Å; C335-G338 PolarHBondContact O-N 2.8Å; C335-D340 HydrophobicContact CB-CB 4.14Å; C335-D340 WeakPolarHBondContact CB-OD1 3.36Å; C335-D340 PolarHBondContact N-OD2 2.79Å; C335-D340 VanDerWaalsContact SG-CB 3.58Å
336P80.4Confident79.5Confident88 Ų8867.4 Ų67.457%0.57138%0.378SS*.THydrogen-bonded Turntrans-58-27.7176.8-2434.6000114.2
337D79.1Confident78.5Confident42 Ų4268.5 Ų68.523%0.22538%0.379CS..THydrogen-bonded Turntrans-88.4-16.5177.342.4-32.9000114.2C317 D318 D319 C335 S339C317-D337 WeakPolarHBondContact CB-OD1 3.35Å; D318-D337 WeakPolarHBondContact CA-OD2 3.42Å; D318-D337 PolarHBondContact N-OD2 2.79Å; D319-D337 HydrophobicContact CB-CB 4.25Å; D319-D337 PolarHBondContact N-OD2 3.37Å; C335-D337 VanDerWaalsContact CB-OD1 3.31Å; C335-D337 WeakPolarHBondContact CB-OD1 3.47Å; C335-D337 PolarHBondContact O-N 3.33Å; C335-D337 VanDerWaalsContact O-N 3.17Å; D337-S339 VanDerWaalsContact C-N 3.26Å; D337-S339 PolarHBondContact O-N 3.31Å; D337-S339 WeakPolarHBondContact OD2-CB 3.46Å; D337-S339 PolarHBondContact OD2-OG 2.96Å
338G79.8Confident77.3Confident3 Ų370.9 Ų70.93%0.03141%0.408CS..  trans73.86.8-176.200000115.7C335 D340 E341 D342C335-G338 PolarHBondContact O-N 2.8Å; G338-D340 WeakPolarHBondContact CA-OD1 3.34Å; G338-D340 PolarHBondContact O-N 3.22Å; G338-D340 VanDerWaalsContact O-N 3.14Å; G338-E341 PolarHBondContact O-N 3.22Å; G338-D342 PolarHBondContact O-N 3.4Å; G338-D342 VanDerWaalsContact O-N 3.13Å
339S86.1Confident75.8Confident16 Ų1677.3 Ų77.311%0.11244%0.439CS..Hα-helixtrans-63.7-14.7-180-71.80000115D318 D337 E341D318-S339 VanDerWaalsContact OD2-CB 3.24Å; D318-S339 WeakPolarHBondContact OD2-CB 3.35Å; D318-S339 PolarHBondContact OD2-OG 3Å; D337-S339 VanDerWaalsContact C-N 3.26Å; D337-S339 PolarHBondContact O-N 3.31Å; D337-S339 WeakPolarHBondContact OD2-CB 3.46Å; D337-S339 PolarHBondContact OD2-OG 2.96Å; S339-E341 VanDerWaalsContact C-N 3.29Å
340D86.3Confident74Confident1 Ų182.6 Ų82.61%0.00546%0.463CS..Hα-helixtrans-67.2-26.1169.848-4000113.9F315 I323 C329 Q334 C335 G338 C344F315-D340 HydrophobicContact CD1-CB 4.24Å; F315-D340 HydrophobicContact CE1-CB 3.97Å; I323-D340 HydrophobicContact CD1-CB 3.55Å; I323-D340 WeakPolarHBondContact CD1-OD2 3.11Å; C329-D340 PolarHBondContact N-O 3.36Å; Q334-D340 WeakPolarHBondContact CA-OD2 3.11Å; Q334-D340 PolarHBondContact N-OD2 3.21Å; Q334-D340 PolarHBondContact OE1-OD2 3.03Å; C335-D340 HydrophobicContact CB-CB 4.14Å; C335-D340 WeakPolarHBondContact CB-OD1 3.36Å; C335-D340 PolarHBondContact N-OD2 2.79Å; C335-D340 VanDerWaalsContact SG-CB 3.58Å; G338-D340 WeakPolarHBondContact CA-OD1 3.34Å; G338-D340 PolarHBondContact O-N 3.22Å; G338-D340 VanDerWaalsContact O-N 3.14Å; D340-C344 PolarHBondContact O-SG 3.02Å
341E88.7Confident72.1Confident43 Ų4390.5 Ų90.520%0.20149%0.487CS..Hα-helixtrans-107.7-33.5179.8-69.2-60.2130.700112.9C329 D330 G331 V332 Q333 G338 S339 F343 C344C329-E341 VanDerWaalsContact C-OE1 3.24Å; C329-E341 WeakPolarHBondContact CA-OE1 3.08Å; C329-E341 PolarHBondContact N-OE1 2.86Å; C329-E341 VanDerWaalsContact N-OE1 3.08Å; D330-E341 PolarHBondContact N-OE1 3.47Å; G331-E341 WeakPolarHBondContact CA-OE2 3.45Å; G331-E341 PolarHBondContact N-OE1 3.37Å; G331-E341 PolarHBondContact N-OE2 3.05Å; G331-E341 VanDerWaalsContact N-OE2 3.08Å; V332-E341 WeakPolarHBondContact O-CG 3.37Å; Q333-E341 HydrophobicContact CG-CB 4.5Å; Q333-E341 HydrophobicContact CG-CG 4.3Å; G338-E341 PolarHBondContact O-N 3.22Å; S339-E341 VanDerWaalsContact C-N 3.29Å; E341-F343 PolarHBondContact O-N 2.71Å; E341-C344 VanDerWaalsContact O-CB 3.27Å; E341-C344 WeakPolarHBondContact O-CB 3.19Å; E341-C344 PolarHBondContact O-N 2.7Å; E341-C344 PolarHBondContact O-SG 3.01Å
342D83.9Confident70.3Confident110 Ų11097.3 Ų97.359%0.58850%0.5SS*.Hα-helixtrans-67.3-32-177.3-86.9-16.5000113.4G338 C344G338-D342 PolarHBondContact O-N 3.4Å; G338-D342 VanDerWaalsContact O-N 3.13Å; D342-C344 PolarHBondContact O-N 3.38Å
343F70.3Confident68.2Low155 Ų155101.4 Ų101.468%0.6852%0.515SS*.G310 helixtrans-75.4-11.1178.9-166.8-103.2000113.7E341 Q345E341-F343 PolarHBondContact O-N 2.71Å; F343-Q345 PolarHBondContact O-N 3.36Å; F343-Q345 VanDerWaalsContact O-N 3.15Å
344C76.6Confident65.7Low27 Ų2799.7 Ų99.718%0.18252%0.515CS..G310 helixtrans-71.7-11.3-170.8-57.20000114.6C329 D340 E341 D342 N346 L347C329-C344 WeakPolarHBondContact CA-SG 3.35Å; C329-C344 HydrophobicContact CB-CB 3.78Å; C329-C344 WeakPolarHBondContact CB-SG 3.36Å; C329-C344 VanDerWaalsContact SG-CA 3.6Å; C329-C344 WeakPolarHBondContact SG-CB 3.21Å; C329-C344 CovalentContact SG-SG 2.02Å; C329-C344 PolarHBondContact SG-SG 2.83Å; D340-C344 PolarHBondContact O-SG 3.02Å; E341-C344 VanDerWaalsContact O-CB 3.27Å; E341-C344 WeakPolarHBondContact O-CB 3.19Å; E341-C344 PolarHBondContact O-N 2.7Å; E341-C344 PolarHBondContact O-SG 3.01Å; D342-C344 PolarHBondContact O-N 3.38Å; C344-N346 PolarHBondContact O-N 3.47Å; C344-L347 PolarHBondContact O-N 2.8Å
345Q65.8Low63.5Low170 Ų170104 Ų10479%0.79454%0.543SS*.G310 helixtrans-61.4-6.9-176.6-58.6-172.819.900114.8F343F343-Q345 PolarHBondContact O-N 3.36Å; F343-Q345 VanDerWaalsContact O-N 3.15Å
346N55.9Low61.2Low156 Ų156112.1 Ų112.183%0.83458%0.58SS**G310 helixtrans-1206.6-179.5-115.3-23.1000115.7C344C344-N346 PolarHBondContact O-N 3.47Å
347L58Low58.9Low130 Ų130113.3 Ų113.368%0.68159%0.585SS**  trans-97.410175.7-72.6170.3000113.7C344 L349C344-L347 PolarHBondContact O-N 2.8Å; L347-L349 PolarHBondContact O-N 2.75Å
348G54.8Low56.6Low70 Ų70118.1 Ų118.172%0.72262%0.616SS**  trans-74.517.7-174.100000117.6
349L51.4Low54.2Low157 Ų157121.8 Ų121.882%0.82265%0.646SS**SBendtrans-136.3117.8175-70.8175.7000112.3L347L347-L349 PolarHBondContact O-N 2.75Å
350D48.1Very low51.5Low166 Ų166126.5 Ų126.589%0.88868%0.679SS**SBendtrans58.766.2166.3-69.2-41.2000119.3
351R43.1Very low49.1Very low244 Ų244132.8 Ų132.892%0.92172%0.72SS**  trans-144.1103.6137-146.6169.4-179.9-175.1-3.2113.2M353R351-M353 PolarHBondContact O-N 3.06Å
352K40.6Very low46.3Very low202 Ų202135.1 Ų135.188%0.87875%0.746SS**  trans-59.498.6164-85.9179168.4173.30109.8
353M36.2Very low44Very low173 Ų173137.3 Ų137.385%0.85276%0.757SS**  trans-81.2131.6143.2-166.3151.77700107R351 T355R351-M353 PolarHBondContact O-N 3.06Å; M353-T355 PolarHBondContact O-N 3.09Å
354V32.2Very low42.5Very low109 Ų109135.3 Ų135.366%0.66176%0.76SS**  trans-8289.3-170.7178.80000109.5H356V354-H356 PolarHBondContact O-N 3.28Å
355T35.5Very low39.9Very low117 Ų117145.5 Ų145.572%0.71879%0.794SS**  trans-75.6111.4168.8-24.10000109M353 V357M353-T355 PolarHBondContact O-N 3.09Å; T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.34Å; T355-V357 PolarHBondContact O-N 2.89Å
356H33.4Very low38.1Very low176 Ų176143 Ų14382%0.81579%0.791SS**  trans-7588.3167.7-84.9-86.3000109.3V354 V358V354-H356 PolarHBondContact O-N 3.28Å; H356-V358 PolarHBondContact O-N 3.01Å
357V31.4Very low36.7Very low113 Ų113142.2 Ų142.269%0.68579%0.792SS**  trans-75.9116.6177.4179.10000110.1T355 A359T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.34Å; T355-V357 PolarHBondContact O-N 2.89Å; V357-A359 HydrophobicContact CG1-CB 4.21Å
358V29.8Very low35.1Very low143 Ų143139.7 Ų139.787%0.86780%0.797SS**  trans-93.2106.2155.4176.40000107H356H356-V358 PolarHBondContact O-N 3.01Å
359A30.6Very low34.3Very low80 Ų80142.2 Ų142.266%0.66180%0.801SS**  trans-86.1147.5176.200000111.1V357V357-A359 HydrophobicContact CG1-CB 4.21Å
360S28.4Very low33Very low115 Ų115139.9 Ų139.980%0.80480%0.797SS**  trans-137.6151.1155.7-82.90000108.7
361P36.9Very low32.1Very low133 Ų133141.2 Ų141.286%0.86480%0.798SS**  trans-88.2157.8-148.733.3-37000114.9
362A29.4Very low31.3Very low91 Ų91137 Ų13775%0.75279%0.794SS**  trans-102.5141.7-177.700000113.7
363L36.7Very low30.7Very low156 Ų156131.8 Ų131.882%0.81779%0.788SS**  trans59.9170.1145.7-118.174.9000117.8
364P37.1Very low30.2Very low113 Ų113126.8 Ų126.873%0.73478%0.782SS**  cis-140.2164.947.239.7-20000117.7
365R22.8Very low29.9Very low242 Ų242128 Ų12891%0.91379%0.789SS**  trans-150.5149.9143-119.7177.4-173.1138.93.8111.6
366T27.4Very low29.4Very low117 Ų117129.4 Ų129.472%0.71879%0.792SS**  trans-124.1138.3-156.6-10.30000112.4
367T26.2Very low28.9Very low140 Ų140125.8 Ų125.886%0.85979%0.786SS**  trans38.5125.3145.549.90000121.9
368G26.1Very low28.7Very low76 Ų76128.1 Ų128.178%0.78479%0.794SS**  trans-174.5126.4157.200000111.6
369P36.9Very low28.5Very low124 Ų124127 Ų12781%0.80579%0.788SS**  trans-113.9162.5-168.840.7-33.4000115.1
370S25.1Very low28.2Very low107 Ų107129.9 Ų129.975%0.74879%0.787SS**  trans164.7142.9131.156.70000115.9
371E28.5Very low27.9Very low195 Ų195132.2 Ų132.291%0.91178%0.783SS**  trans73.7173.2148.4-71.2-179.4152.400121.8
372D26.7Very low27.4Very low156 Ų156130 Ų13083%0.83477%0.77SS**  -137.2162.6-121.7-160.3-0.6000113.7
373A28.1Very low27.5Very low91 Ų91133.7 Ų133.775%0.75277%0.772SS**  trans38.9118162.300000122.2
374G25.4Very low26.9Very low69 Ų69135 Ų13571%0.71177%0.771SS**  116.9118.8117.500000121.5
375V26.2Very low26.4Very low134 Ų134133.7 Ų133.781%0.81277%0.77SS**  trans81.4113.3132.1-177.20000121.1
376D23.9Very low26.5Very low147 Ų147128.9 Ų128.979%0.78677%0.767SS**  trans77.1144.8142.3-82.5-28.5000127.1
377S23.9Very low26.4Very low100 Ų100127.2 Ų127.270%0.69977%0.766SS**  trans79.594.4146.8-67.10000122.3
378L27.1Very low26.9Very low161 Ų161125.6 Ų125.684%0.84376%0.758SS**  36.9144.5110.4-82.8163.7000122.1
379V25.1Very low26.9Very low121 Ų121129.5 Ų129.573%0.73376%0.761SS**  trans74.7136.7151.3160.60000115.5
380E24.1Very low26.4Very low140 Ų140133.1 Ų133.165%0.65476%0.764SS**  cis-148.1133.5-1.1-123.4-178.8122.600106.8
381K22.6Very low27.2Very low164 Ų164133.2 Ų133.271%0.71376%0.762SS**  77.3142.791.7-178.4-171.1176.8-177.80117.3
382S25.9Very low27.4Very low85 Ų85129.7 Ų129.759%0.59476%0.756SS**  trans72.7145.9163.3-870000118.8
383Q30.8Very low27.2Very low169 Ų169127.1 Ų127.179%0.7976%0.756SS**  cis-168.7155-22-125.8172.510.700110
384K25.2Very low27.1Very low184 Ų184130.9 Ų130.980%0.876%0.763SS**  trans72.798.8141.6-161.4171.2-173.5179.60120.6
385A25.6Very low27.1Very low86 Ų86132.8 Ų132.871%0.71177%0.765SS**  44.5134.812500000121.7
386T25.4Very low27.1Very low140 Ų140133.3 Ų133.386%0.85976%0.764SS**  176.8131.6104.7-71.90000111.1
387A26.2Very low27.2Very low83 Ų83132.4 Ų132.469%0.68676%0.763SS**  trans-91.5-177.3167.400000109.5
388P36.1Very low27.2Very low105 Ų105136.2 Ų136.268%0.68277%0.77SS**  cis-135.7-178.60.742-24.7000114.2
389N26.5Very low27.2Very low159 Ų159137.6 Ų137.685%0.8577%0.769SS**  -177.8158.2117.8-95.8-42.1000114.4
390K26.9Very low27.1Very low199 Ų199142.1 Ų142.187%0.86577%0.773SS**  trans-78.8165.7-175.3-114.7-163.9161.9178.40113.4
391P40.5Very low27.2Very low109 Ų109141.4 Ų141.471%0.70877%0.774SS**  trans-85.5-175.8-17939.5-36.4000112
392P32.5Very low27.4Very low121 Ų121141.1 Ų141.179%0.78678%0.775SS**  -151.5176.5111.940-24.3000117.2
393A22.7Very low27.4Very low102 Ų102142.3 Ų142.384%0.84378%0.783SS**  trans105.8135.1137.600000120.8
394L27.2Very low27.2Very low171 Ų171138.6 Ų138.690%0.89578%0.781SS**  trans-101.2150.7173.2-76.8124.2000111.5
395S24.9Very low27.2Very low109 Ų109137.9 Ų137.976%0.76278%0.779SS**  trans-172.5113147.652.40000108.6
396N25.4Very low27.2Very low145 Ų145145 Ų14578%0.77579%0.787SS**  83.512873.5-87.2-13.6000115.9
397T26.1Very low27Very low127 Ų127141 Ų14178%0.77977%0.774SS**  trans64.4149.2156.144.50000118.1
398E24.7Very low27.7Very low180 Ų180143.4 Ų143.484%0.84178%0.783SS**  cis-152.4171.119.7-166.6136.2101.400114.2
399K26.3Very low27.3Very low191 Ų191147 Ų14783%0.8379%0.791SS**  trans-82.1159.6174.2-75.3172.6169.3171.80113.6
400R22.9Very low27.3Very low215 Ų215145 Ų14581%0.81179%0.789SS**  165.7118.9107.5-175.7172-65.7-164.61.9115.9
401N26.1Very low27.2Very low125 Ų125144.2 Ų144.267%0.66879%0.788SS**  trans43142.4141.9-49.2-2.8000121.5
402H27.9Very low26.7Very low159 Ų159146 Ų14674%0.73679%0.79SS**  -170137.869.9-91.3-89.1000114.6
403S25.7Very low26.5Very low110 Ų110147.3 Ų147.377%0.76979%0.789SS**  trans33.6150.4141.668.70000123.1
404A27Very low27.2Very low91 Ų91148 Ų14875%0.75279%0.785SS**  cis-165.7161.413.600000115
405F24Very low27.1Very low169 Ų169146.8 Ų146.874%0.74178%0.784SS**  trans66120.1134.9-152.4-102.4000123.4
406W25.1Very low27.3Very low234 Ų234149.2 Ų149.289%0.88679%0.786SS**  -176.4138.8115.9-98.696.1000109.8
407G22.6Very low28Very low57 Ų57148.1 Ų148.159%0.58879%0.787SS**  trans-99.2-155171.100000112
408P40.1Very low28.1Very low134 Ų134149.1 Ų149.187%0.8779%0.787SS**  cis-132.9-140.66.641-20.5000112
409E28Very low28.1Very low181 Ų181145.6 Ų145.685%0.84678%0.782SS**  -167.1146.4-84.2-176.516612100109.4
410S26.2Very low28Very low117 Ų117141.3 Ų141.382%0.81878%0.776SS**  trans169.6148.114141.10000114.5
411Q24.9Very low28.3Very low182 Ų182136.5 Ų136.585%0.8578%0.776SS**  trans-114173.2170.6-63.4168.124.700108.3
412I29.5Very low28.4Very low145 Ų145135.4 Ų135.474%0.74478%0.778SS**  167.9131.298.9-93.5171000113.2
413I28.6Very low28.4Very low150 Ų150138.9 Ų138.977%0.76979%0.785SS**  trans66.1142.3140.4-63178.9000124.4
414P38Very low28.5Very low115 Ų115142.8 Ų142.875%0.74779%0.788SS**  trans-111.1172177.843.1-35.9000116.3
415V24.5Very low28.7Very low146 Ų146145.3 Ų145.389%0.88579%0.789SS**  trans-147.2145.8172.4176.30000112.6
416M28.9Very low29Very low161 Ų161148.7 Ų148.779%0.79380%0.796SS**  trans-100.9162172.7-91.1-80.6-163.800111.9
417P41.5Very low29.3Very low122 Ų122146.4 Ų146.479%0.79279%0.793SS**  -148158.810638.2-23000116.4
418D26.7Very low29.7Very low147 Ų147151.9 Ų151.979%0.78680%0.803SS**  trans-75.1148.6166.4-78-57.3000113
419S25Very low29.3Very low107 Ų107153.8 Ų153.875%0.74880%0.8SS**  158.5147.1110.856.80000116.1
420S25.4Very low29.4Very low100 Ų100152.1 Ų152.170%0.69980%0.797SS**  trans7797.1150.573.60000122.2
421S27.5Very low29.6Very low114 Ų114156.9 Ų156.980%0.79780%0.799SS**  86.1151.7117.382.40000122.5
422S28.4Very low29.8Very low103 Ų103156 Ų15672%0.7280%0.798SS**  trans83.187.4152.5-143.20000119.9
423R27.8Very low29.8Very low232 Ų232158.6 Ų158.688%0.87580%0.804SS**  40112.7110.2-174.4-164.6-115.8179.6-0.5116.4
424K28.9Very low29.9Very low191 Ų191159.6 Ų159.683%0.8381%0.806SS**  166.9148.2107.2-164164.8-173.8177.80113
425D31.9Very low29.7Very low145 Ų145159.9 Ų159.978%0.77581%0.811SS**  trans-67.1150-179.7-41.6-100.1000115.5
426R30.1Very low30.2Very low239 Ų239162.9 Ų162.990%0.90281%0.812SS**  -174.8118.4126.9-100.7163.3171.9-177.2-5.5108.5
427K30.7Very low30.3Very low187 Ų187158.9 Ų158.981%0.81381%0.812SS**  92.487.462.6-167.1-176.9-178-174.10111.9
428E31.1Very low29.9Very low172 Ų172161.4 Ų161.480%0.80482%0.818SS**  trans10.2118.8133.2-160.2170.8-167.700117
429E32.5Very low30.1Very low174 Ų174157.5 Ų157.581%0.81381%0.813SS**  trans-77.4134.4172.1-59.8-176.214100110.2
430N30Very low30.4Very low145 Ų145156.7 Ų156.778%0.77582%0.822SS**  trans-145.9131.6165.1-145.4-17.2000109.6
431Y30.2Very low30.8Very low217 Ų217155.8 Ų155.885%0.85183%0.828SS**  trans-74.9138.5-170.1-79.6-106.4000111.3
432I29.6Very low31.3Very low163 Ų163153.7 Ų153.784%0.83682%0.824SS**  trans-119.5134.6172.7-68.7177.3000108.8
433F28.5Very low31.4Very low201 Ų201158.2 Ų158.288%0.88283%0.834SS**  trans-91.6130.1173.2-165.2-91000109.3
434E31.4Very low32Very low171 Ų171156.1 Ų156.180%0.79983%0.834SS**  trans-78.6146.7177.5-76.5-170.1107.600112.7
435S32.6Very low32.8Very low121 Ų121152.8 Ų152.885%0.84683%0.832SS**  trans-148.2131.7142.264.50000110.5
436K35.2Very low33.1Very low208 Ų208150.4 Ų150.490%0.90483%0.832SS**  trans-97.5140.5-167179.9176.6179.2174.40111.5
437G31.8Very low33.8Very low77 Ų77144.5 Ų144.579%0.79483%0.825SS**  trans-157.2144.1175.500000110.6
438D31.8Very low34.6Very low175 Ų175144.5 Ų144.594%0.93683%0.828SS**  trans-115.1170.6-156.8-16615.7000113.4
439G32.2Very low35.9Very low66 Ų66141.6 Ų141.668%0.6882%0.822SS**  trans97.7103.8156.200000116.8
440G32Very low37.2Very low90 Ų90136.4 Ų136.493%0.92882%0.815SS**  trans-82.8-174.6-177.700000117.3
441G33.2Very low38.7Very low80 Ų80132.7 Ų132.783%0.82581%0.805SS**  trans120.869.6152.100000118.2
442G36.9Very low40.3Very low70 Ų70126.8 Ų126.872%0.72279%0.791SS**  trans65.6112.5137.700000120.9
443E30.8Very low42.1Very low198 Ų198125.3 Ų125.393%0.92578%0.784SS**  -174.5141.9125.9-102.9174.291.300109.2
444H40.4Very low44.4Very low188 Ų188119.9 Ų119.987%0.8777%0.769SS**  trans-92.7137.5169.4-88.9-129.4000108.2
445P47.1Very low46.6Very low122 Ų122117.5 Ų117.579%0.79276%0.761SS**  -150.8173.793.337.9-20.4000117.1
446A36.8Very low49Very low94 Ų94114.5 Ų114.578%0.77774%0.743SS**  trans84.1133.216500000118.8
447P44.6Very low51.5Low116 Ų116109.6 Ų109.675%0.75373%0.727SS**  trans-95.9125.9177.835.4-31.5000113.5T449P447-T449 PolarHBondContact O-N 3.2Å; P447-T449 PolarHBondContact O-OG1 2.8Å
448E47.7Very low54.3Low187 Ų187107.5 Ų107.587%0.87471%0.705SS**  trans-65.2113.3175-72.6-62154.900112.7G450E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.83Å; E448-G450 VanDerWaalsContact O-N 3.17Å
449T58.1Low57.1Low110 Ų110105 Ų10568%0.67569%0.691SS**  trans-91.949.4-177.1-40.40000111.9P447 A451 V452P447-T449 PolarHBondContact O-N 3.2Å; P447-T449 PolarHBondContact O-OG1 2.8Å; T449-A451 PolarHBondContact O-N 2.63Å; T449-V452 HydrophobicContact CG2-CG2 4.09Å
450G60.9Low59.9Low66 Ų66104.1 Ų104.168%0.6868%0.678SS**THydrogen-bonded Turntrans-74.9-18.1-162.200000118E448E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.83Å; E448-G450 VanDerWaalsContact O-N 3.17Å
451A61.1Low62.8Low67 Ų67104.6 Ų104.655%0.55466%0.658SS**THydrogen-bonded Turntrans-108.5-10.8-169.100000115.7T449T449-A451 PolarHBondContact O-N 2.63Å
452V64.3Low65.7Low92 Ų92104.2 Ų104.256%0.55864%0.64SS**Hα-helixtrans-80.5-35.9-171.1-175.40000112.1T449 A456T449-V452 HydrophobicContact CG2-CG2 4.09Å; V452-A456 VanDerWaalsContact O-CB 3.31Å; V452-A456 WeakPolarHBondContact O-CB 3.47Å; V452-A456 PolarHBondContact O-N 3.26Å
453L66.1Low68.4Low132 Ų132103.5 Ų103.569%0.69163%0.627SS**Hα-helixtrans-62.5-47.6-176.5-130.875.5000113.8A456 L457L453-A456 PolarHBondContact O-N 2.75Å; L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 2.8Å
454P78.6Confident71.4Confident87 Ų8799.5 Ų99.557%0.56561%0.611SS**Hα-helixtrans-66.4-39180-20.933.7000112.7L457 G458P454-L457 PolarHBondContact O-N 3.17Å; P454-G458 PolarHBondContact O-N 2.95Å
455L76.6Confident73.9Confident122 Ų12295.7 Ų95.764%0.63960%0.597SS**Hα-helixtrans-67.8-42.1177.9-71172.8000111.7G458 L459L455-G458 PolarHBondContact O-N 3.01Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.29Å
456A83.6Confident76.2Confident57 Ų5795.9 Ų95.947%0.47159%0.59SS.*Hα-helixtrans-62.8-41.7174.900000112.1V452 L453 A460V452-A456 VanDerWaalsContact O-CB 3.31Å; V452-A456 WeakPolarHBondContact O-CB 3.47Å; V452-A456 PolarHBondContact O-N 3.26Å; L453-A456 PolarHBondContact O-N 2.75Å; A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.16Å; A456-A460 PolarHBondContact O-N 2.87Å
457L87.1Confident78.9Confident105 Ų10596.5 Ų96.555%0.5558%0.58SS.*Hα-helixtrans-65.6-43.7175.2-74.4167.4000112L453 P454 A460 I461L453-L457 WeakPolarHBondContact O-CB 3.46Å; L453-L457 WeakPolarHBondContact O-CG 3.48Å; L453-L457 PolarHBondContact O-N 2.8Å; P454-L457 PolarHBondContact O-N 3.17Å; L457-A460 PolarHBondContact O-N 2.81Å; L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.05Å; L457-I461 PolarHBondContact O-N 3.37Å
458G89.8Confident81.2Confident33 Ų3396.6 Ų96.634%0.3457%0.572SS.*Hα-helixtrans-59.1-47.3175.900000112.6P454 L455 I461 T462P454-G458 PolarHBondContact O-N 2.95Å; L455-G458 PolarHBondContact O-N 3.01Å; G458-I461 PolarHBondContact O-N 2.94Å; G458-T462 WeakPolarHBondContact O-CG2 3.41Å; G458-T462 PolarHBondContact O-N 2.87Å; G458-T462 PolarHBondContact O-OG1 3.03Å
459L91.9Very high83.4Confident122 Ų12291.7 Ų91.764%0.63955%0.554SS**Hα-helixtrans-67.1-34.2177.2-68.2175.2000112.9L455 T462 A463L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.29Å; L459-T462 WeakPolarHBondContact CA-OG1 3.46Å; L459-T462 PolarHBondContact O-OG1 2.98Å; L459-T462 VanDerWaalsContact O-OG1 3.13Å; L459-A463 VanDerWaalsContact O-CB 3.25Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 2.86Å
460A90.9Very high85Confident49 Ų4988.6 Ų88.641%0.40554%0.54SS..Hα-helixtrans-66.6-40.6173.900000112.1A456 L457 L464A456-A460 VanDerWaalsContact O-CB 3.32Å; A456-A460 WeakPolarHBondContact O-CB 3.16Å; A456-A460 PolarHBondContact O-N 2.87Å; L457-A460 PolarHBondContact O-N 2.81Å; A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.45Å; A460-L464 PolarHBondContact O-N 2.97Å
461I93.1Very high86.3Confident99 Ų9988.8 Ų88.851%0.50853%0.53SS..Hα-helixtrans-67.7-45178.1-68163.9000110.8L457 G458 A463 L464 L465L457-I461 VanDerWaalsContact O-CG1 3.27Å; L457-I461 WeakPolarHBondContact O-CG1 3.05Å; L457-I461 PolarHBondContact O-N 3.37Å; G458-I461 PolarHBondContact O-N 2.94Å; I461-A463 PolarHBondContact O-N 3.34Å; I461-L464 PolarHBondContact O-N 3.36Å; I461-L465 HydrophobicContact CG2-CD1 4.1Å; I461-L465 WeakPolarHBondContact O-CG 3.21Å; I461-L465 PolarHBondContact O-N 3.2Å
462T93Very high87.7Confident73 Ų7394.2 Ų94.245%0.44854%0.536SS..Hα-helixtrans-65.1-39.6177.256.20000111.9G458 L459 L464 L465 L466G458-T462 WeakPolarHBondContact O-CG2 3.41Å; G458-T462 PolarHBondContact O-N 2.87Å; G458-T462 PolarHBondContact O-OG1 3.03Å; L459-T462 WeakPolarHBondContact CA-OG1 3.46Å; L459-T462 PolarHBondContact O-OG1 2.98Å; L459-T462 VanDerWaalsContact O-OG1 3.13Å; T462-L464 PolarHBondContact O-N 3.45Å; T462-L465 PolarHBondContact O-N 3.41Å; T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 3.49Å
463A93.9Very high88.7Confident55 Ų5594.9 Ų94.946%0.45554%0.536SS..Hα-helixtrans-60.3-44173.200000112.4L459 I461 L466 L467L459-A463 VanDerWaalsContact O-CB 3.25Å; L459-A463 WeakPolarHBondContact O-CB 3.49Å; L459-A463 PolarHBondContact O-N 2.86Å; I461-A463 PolarHBondContact O-N 3.34Å; A463-L466 PolarHBondContact O-N 2.99Å; A463-L467 WeakPolarHBondContact O-CB 3Å; A463-L467 PolarHBondContact O-N 3.33Å
464L94Very high89.4Confident113 Ų11397.3 Ų97.359%0.59254%0.536SS*.Hα-helixtrans-62.6-42.4176-79.5165.5000112.4A460 I461 T462 L467 M468A460-L464 WeakPolarHBondContact O-CB 3.33Å; A460-L464 WeakPolarHBondContact O-CG 3.45Å; A460-L464 PolarHBondContact O-N 2.97Å; I461-L464 PolarHBondContact O-N 3.36Å; T462-L464 PolarHBondContact O-N 3.45Å; L464-L467 PolarHBondContact O-N 3.41Å; L464-M468 VanDerWaalsContact O-CG 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.07Å
465L93.8Very high89.5Confident109 Ų10997.9 Ų97.957%0.57153%0.534SS*.Hα-helixtrans-64-44.4177-70.6171.7000111.8I461 T462 L467 M468 V469I461-L465 HydrophobicContact CG2-CD1 4.1Å; I461-L465 WeakPolarHBondContact O-CG 3.21Å; I461-L465 PolarHBondContact O-N 3.2Å; T462-L465 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 3.37Å; L465-M468 PolarHBondContact O-N 2.92Å; L465-V469 WeakPolarHBondContact O-CG2 3.33Å; L465-V469 PolarHBondContact O-N 2.97Å
466L94.5Very high89.7Confident125 Ų12595.9 Ų95.965%0.65453%0.527SS*.Hα-helixtrans-62.1-39.1175.4-70.9172.5000112T462 A463 V469 A470T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 3.49Å; A463-L466 PolarHBondContact O-N 2.99Å; L466-V469 PolarHBondContact O-N 3.34Å; L466-A470 WeakPolarHBondContact O-CB 3.33Å; L466-A470 PolarHBondContact O-N 2.88Å
467L93.6Very high89.2Confident107 Ų107100.2 Ų100.256%0.5654%0.535SS*.Hα-helixtrans-66.3-41.5176.8-149.5162.6000111.1A463 L464 L465 A470 C471A463-L467 WeakPolarHBondContact O-CB 3Å; A463-L467 PolarHBondContact O-N 3.33Å; L464-L467 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.32Å; L465-L467 PolarHBondContact O-N 3.37Å; L467-A470 PolarHBondContact O-N 3.2Å; L467-C471 WeakPolarHBondContact O-CB 3.49Å; L467-C471 PolarHBondContact O-N 2.95Å
468M92.8Very high88.5Confident119 Ų119101.5 Ų101.559%0.58654%0.538SS*.Hα-helixtrans-61.4-43.6173.8-74.1-69.9-7700112.6L464 L465 C471 R472L464-M468 VanDerWaalsContact O-CG 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.07Å; L465-M468 PolarHBondContact O-N 2.92Å; M468-C471 PolarHBondContact O-N 3.5Å; M468-R472 VanDerWaalsContact O-CG 3.3Å; M468-R472 WeakPolarHBondContact O-CG 3.41Å; M468-R472 PolarHBondContact O-N 3.42Å
469V93.9Very high87.4Confident83 Ų83107.1 Ų107.150%0.50355%0.553SS.*Hα-helixtrans-64.3-45174.9172.70000110.9L465 L466 C471 R472 L473L465-V469 WeakPolarHBondContact O-CG2 3.33Å; L465-V469 PolarHBondContact O-N 2.97Å; L466-V469 PolarHBondContact O-N 3.34Å; V469-C471 VanDerWaalsContact C-N 3.34Å; V469-C471 PolarHBondContact O-N 3.37Å; V469-R472 PolarHBondContact O-N 3.23Å; V469-L473 HydrophobicContact CG1-CD1 3.9Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CB 3.45Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 2.88Å
470A91.4Very high86Confident45 Ų45107.1 Ų107.137%0.37255%0.553SS.*Hα-helixtrans-61.4-40.5176.600000112.4L466 L467 R474L466-A470 WeakPolarHBondContact O-CB 3.33Å; L466-A470 PolarHBondContact O-N 2.88Å; L467-A470 PolarHBondContact O-N 3.2Å; A470-R474 WeakPolarHBondContact O-CB 3.35Å; A470-R474 VanDerWaalsContact O-CG 3.27Å; A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 3.44Å
471C88.3Confident84.6Confident70 Ų70113.6 Ų113.647%0.47357%0.572SS.*Hα-helixtrans-64.5-44.4173.6-81.80000112.3L467 M468 V469 R474 L475L467-C471 WeakPolarHBondContact O-CB 3.49Å; L467-C471 PolarHBondContact O-N 2.95Å; M468-C471 PolarHBondContact O-N 3.5Å; V469-C471 VanDerWaalsContact C-N 3.34Å; V469-C471 PolarHBondContact O-N 3.37Å; C471-R474 PolarHBondContact O-N 2.85Å; C471-L475 WeakPolarHBondContact O-CB 3.23Å; C471-L475 PolarHBondContact O-N 2.87Å
472R90.4Very high82.9Confident181 Ų181118 Ų11868%0.68359%0.587SS**Hα-helixtrans-58.6-48.2174.4-73.9-80.7-179.2170.4-0.6111.4M468 V469 R474 L475 V476M468-R472 VanDerWaalsContact O-CG 3.3Å; M468-R472 WeakPolarHBondContact O-CG 3.41Å; M468-R472 PolarHBondContact O-N 3.42Å; V469-R472 PolarHBondContact O-N 3.23Å; R472-R474 PolarHBondContact O-N 3.06Å; R472-L475 PolarHBondContact O-N 3.09Å; R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.26Å
473L85.4Confident80.7Confident107 Ų107117.5 Ų117.556%0.5659%0.591SS**Hα-helixtrans-64.7-37.7178.3-69.8172.6000112.7V469 K477V469-L473 HydrophobicContact CG1-CD1 3.9Å; V469-L473 HydrophobicContact CG1-CG 4.37Å; V469-L473 WeakPolarHBondContact O-CB 3.45Å; V469-L473 WeakPolarHBondContact O-CG 3.39Å; V469-L473 PolarHBondContact O-N 2.88Å; L473-K477 WeakPolarHBondContact O-CB 3.24Å; L473-K477 WeakPolarHBondContact O-CG 3.45Å; L473-K477 PolarHBondContact O-N 3.42Å
474R81.8Confident78.7Confident183 Ų183125.7 Ų125.769%0.69161%0.61SS**Hα-helixtrans-65.6-40.3173-75.6176.9-177.5-150.71.7111.8A470 C471 R472 K477 Q478A470-R474 WeakPolarHBondContact O-CB 3.35Å; A470-R474 VanDerWaalsContact O-CG 3.27Å; A470-R474 WeakPolarHBondContact O-CG 3.26Å; A470-R474 PolarHBondContact O-N 3.44Å; C471-R474 PolarHBondContact O-N 2.85Å; R472-R474 PolarHBondContact O-N 3.06Å; R474-K477 PolarHBondContact O-N 2.71Å; R474-Q478 WeakPolarHBondContact O-CB 3.38Å; R474-Q478 WeakPolarHBondContact O-CG 3.49Å; R474-Q478 PolarHBondContact O-N 3.18Å
475L79.9Confident76.2Confident99 Ų99126 Ų12652%0.51862%0.619SS.*Hα-helixtrans-66-42.3176.4-16078.4000111.6C471 R472 Q478 K479C471-L475 WeakPolarHBondContact O-CB 3.23Å; C471-L475 PolarHBondContact O-N 2.87Å; R472-L475 PolarHBondContact O-N 3.09Å; L475-Q478 PolarHBondContact O-N 3.48Å; L475-K479 WeakPolarHBondContact O-CG 3.4Å; L475-K479 PolarHBondContact O-N 2.98Å
476V79.9Confident73.8Confident80 Ų80128.4 Ų128.449%0.48563%0.631SS.*Hα-helixtrans-63.5-44.5174.2171.50000111R472 Q478 K479 L480R472-V476 WeakPolarHBondContact O-CG2 3.46Å; R472-V476 PolarHBondContact O-N 3.26Å; V476-Q478 VanDerWaalsContact C-N 3.32Å; V476-Q478 PolarHBondContact O-N 2.95Å; V476-K479 PolarHBondContact O-N 3.41Å; V476-K479 VanDerWaalsContact O-N 3.14Å; V476-L480 HydrophobicContact CG1-CD1 3.93Å; V476-L480 PolarHBondContact O-N 3.29Å
477K73.6Confident71.3Confident147 Ų147126.8 Ų126.864%0.63963%0.626SS**Hα-helixtrans-63-34173.4-76.4-173.6175.8-1740112.9L473 R474 K481L473-K477 WeakPolarHBondContact O-CB 3.24Å; L473-K477 WeakPolarHBondContact O-CG 3.45Å; L473-K477 PolarHBondContact O-N 3.42Å; R474-K477 PolarHBondContact O-N 2.71Å; K477-K481 WeakPolarHBondContact O-CB 3.47Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.42Å
478Q72.7Confident69.1Low133 Ų133127.5 Ų127.562%0.62164%0.64SS**Hα-helixtrans-70.5-33.2172.6-77.8-178.4-9.500112.9R474 L475 V476 K482R474-Q478 WeakPolarHBondContact O-CB 3.38Å; R474-Q478 WeakPolarHBondContact O-CG 3.49Å; R474-Q478 PolarHBondContact O-N 3.18Å; L475-Q478 PolarHBondContact O-N 3.48Å; V476-Q478 VanDerWaalsContact C-N 3.32Å; V476-Q478 PolarHBondContact O-N 2.95Å; Q478-K482 PolarHBondContact O-N 3.43Å
479K66.8Low67Low150 Ų150129 Ų12965%0.65265%0.645SS**Hα-helixtrans-70.9-44.3173.5-73.8-76.2-175.2169.50111.7L475 V476 K481 K482 A483L475-K479 WeakPolarHBondContact O-CG 3.4Å; L475-K479 PolarHBondContact O-N 2.98Å; V476-K479 PolarHBondContact O-N 3.41Å; V476-K479 VanDerWaalsContact O-N 3.14Å; K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.32Å; K479-K482 CarbonylContact O-C 3.46Å; K479-K482 PolarHBondContact O-N 3.46Å; K479-A483 PolarHBondContact O-N 3.36Å
480L61.4Low64.6Low122 Ų122132.7 Ų132.764%0.63966%0.657SS**Hα-helixtrans-60-33.8172.8-76.7162.9000112.7V476 K482V476-L480 HydrophobicContact CG1-CD1 3.93Å; V476-L480 PolarHBondContact O-N 3.29Å; L480-K482 VanDerWaalsContact C-N 3.26Å; L480-K482 PolarHBondContact O-N 3.43Å
481K62.3Low62.4Low186 Ų186134.4 Ų134.481%0.80967%0.667SS**THydrogen-bonded Turntrans-75-7.8173-75.2-174.5176.8-164.20114.8K477 K479K477-K481 WeakPolarHBondContact O-CB 3.47Å; K477-K481 WeakPolarHBondContact O-CG 3.47Å; K477-K481 PolarHBondContact O-N 3.42Å; K479-K481 VanDerWaalsContact C-N 3.27Å; K479-K481 PolarHBondContact O-N 3.32Å
482K56.7Low60.5Low190 Ų190137.9 Ų137.983%0.82668%0.681SS**THydrogen-bonded Turntrans-114.7-18177.8-78-170.1172.5-172.70114.1Q478 K479 L480Q478-K482 PolarHBondContact O-N 3.43Å; K479-K482 CarbonylContact O-C 3.46Å; K479-K482 PolarHBondContact O-N 3.46Å; L480-K482 VanDerWaalsContact C-N 3.26Å; L480-K482 PolarHBondContact O-N 3.43Å
483A47.6Very low58.4Low63 Ų63136.5 Ų136.552%0.52168%0.677SS.*  trans-85.8111.2165.200000108.8K479K479-A483 PolarHBondContact O-N 3.36Å
484R52.3Low56.6Low228 Ų228138.5 Ų138.586%0.8669%0.687SS**  trans-56.7140.2151.7-83.4-176.8174.2175.3-2.4107I486R484-I486 PolarHBondContact O-N 3.32Å
485P40.6Very low54.6Low119 Ų119137.2 Ų137.277%0.77369%0.692SS**  trans-62.3113.5166.927.3-31.5000107.3T487P485-T487 PolarHBondContact O-N 3.42Å
486I44.3Very low52.7Low159 Ų159139.6 Ų139.682%0.81571%0.706SS**  trans-77.8100.5166.6-54.8174.6000104.5R484R484-I486 PolarHBondContact O-N 3.32Å
487T42.4Very low50.7Low91 Ų91139.6 Ų139.656%0.55872%0.722SS**  trans-62133167.639.90000108.2P485 E489P485-T487 PolarHBondContact O-N 3.42Å; T487-E489 PolarHBondContact O-N 3.43Å
488S45.6Very low48.7Very low123 Ų123140.5 Ų140.586%0.8673%0.73SS**SBendtrans-77.152.4-178.3-174.50000111.6
489E49.2Very low47.4Very low149 Ų149145.2 Ų145.270%0.69674%0.744SS**  trans-135.714.3-169.1-151.4-175.6151.100112.5T487T487-E489 PolarHBondContact O-N 3.43Å
490E43.9Very low45.9Very low161 Ų161149.4 Ų149.475%0.75277%0.772SS**SBendtrans-124.76.4-174.8-144.1169.8-17700113.7
491S45.9Very low45.1Very low82 Ų82150.8 Ų150.857%0.57378%0.779SS**SBendtrans-83.2-19.7178.353.40000115.2
492D47.9Very low44.2Very low143 Ų143148.9 Ų148.977%0.76578%0.777SS**  trans-97.6-0.3-165.8-74.626.5000113.6L494D492-L494 PolarHBondContact O-N 3.31Å
493Y46.6Very low43.5Very low151 Ų151146.6 Ų146.659%0.59278%0.775SS**  trans-84.150.8174.4-60.7-72.5000112.6
494L46.7Very low43.3Very low150 Ų150151.5 Ų151.579%0.78579%0.79SS**  trans-108.179.3170.6-75.7175000110.9D492D492-L494 PolarHBondContact O-N 3.31Å
495I40.1Very low42.7Very low155 Ų155146.8 Ų146.880%0.79579%0.785SS**SBendtrans-93.2111.1162.5-63.1178000107.7
496N40Very low42.8Very low150 Ų150148.6 Ų148.680%0.80279%0.786SS**SBendtrans39.983.6169.8-67.9-0.2000116.1M498N496-M498 PolarHBondContact O-N 2.9Å
497G38.2Very low42.7Very low80 Ų80147.9 Ų147.983%0.82578%0.784SS**  trans-56.695.6-178.500000115.1
498M31.2Very low42.8Very low166 Ų166152.2 Ų152.282%0.81880%0.801SS**  trans-145.5112.8164.1-153.2172.974.100108.8N496N496-M498 PolarHBondContact O-N 2.9Å
499Y45.9Very low42.5Very low231 Ų231154.7 Ų154.791%0.90680%0.796SS**  trans-72.4132.8178.2-78.8-94.9000111.2
500L34.7Very low41.9Very low238 Ų238155.2 Ų155.2100%1.24681%0.805SS**  trans-1400153.1-86.1174.5000108.9

Retrieved 500 of 500 residues in 765.6 ms (Link to these results)