A0A096NJA0_PAPAN Loading...

GTP-binding protein

AlphaFold DB , UniProt , Accession A0A096NJA0, Species PAPAN (Papio anubis, Olive baboon), Gene RRAD, Length 308 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.7Very low42.5Very low244 Ų244128.2 Ų128.2100%1.20287%0.872SS**  0104.60-68.2169.2172.500105
2T45.5Very low41.7Very low146 Ų146124.2 Ų124.290%0.89687%0.868SS**  cis-139.5157.839.933.80000111.6
3L46.8Very low41.6Very low163 Ų163123.8 Ų123.885%0.85387%0.865SS**  trans-100.9160.7-176.3-71159.5000111.3
4N42.9Very low41.5Very low166 Ų166132.9 Ų132.989%0.88887%0.871SS**  trans138.4134.7147.5-77.9-7000108.9
5G39.3Very low41Very low75 Ų75129.5 Ų129.577%0.77387%0.869SS**  cis173.2132.66.100000102.5
6G40.8Very low40.7Very low81 Ų81126.8 Ų126.884%0.83587%0.871SS**  108120.979.600000108.8
7D43.7Very low40.4Very low159 Ų159124 Ų12485%0.8587%0.868SS**  trans120.3136.4139.6-142.416.3000119.1
8S48.9Very low40.6Very low106 Ų106130.9 Ų130.974%0.74187%0.872SS**  trans-90.2168.2-168.42.70000111.3
9G37Very low40.6Very low78 Ų78133.8 Ų133.880%0.80487%0.871SS**  trans145.9106.2152.900000115.4
10A43.1Very low40.7Very low112 Ų112139.5 Ų139.593%0.92688%0.875SS**  trans-69.9158.6168.800000112.7
11G34.7Very low40.6Very low80 Ų80139.3 Ų139.383%0.82586%0.863SS**  trans146118.3150.300000117.2
12G33.2Very low40.4Very low80 Ų80139.6 Ų139.683%0.82585%0.851SS**  91.588.1124.700000120.3
13S39.9Very low40.1Very low119 Ų119142.3 Ų142.383%0.83285%0.845SS**  29.4128.9126.8-157.50000122.2
14R40.8Very low39.9Very low251 Ų251145.2 Ų145.295%0.94784%0.844SS**  trans161136.9137-90.1166.8174.7-156.9-1.3107.2
15G34.3Very low39.4Very low82 Ų82140.9 Ų140.985%0.84584%0.839SS**  cis148.9134.41300000106.3
16G35.4Very low39.4Very low87 Ų87141.8 Ų141.890%0.89783%0.833SS**  trans153.885.6170.900000115.2
17G36.6Very low39.6Very low79 Ų79144.3 Ų144.381%0.81483%0.833SS**  trans-167.772.3178.100000113.4
18R42.7Very low39.5Very low249 Ų249142.6 Ų142.694%0.9483%0.83SS**  trans-3.5120.6168.8-65.5175.7-177.7-178.7-0.3118.8
19E41.8Very low39.2Very low185 Ų185150.2 Ų150.286%0.86484%0.843SS**  trans-63.4128.1163.6-172.8168.7-164.600112.3
20R41.8Very low39.6Very low247 Ų247149.1 Ų149.193%0.93283%0.832SS**  trans-132.2111.6151.9-91.1-170.2178.2-122.10.6109.4
21E39.4Very low39.7Very low136 Ų136150.2 Ų150.264%0.63683%0.829SS**  trans-51.1122.3178.2-170.1173.2-17200113.5R23E21-R23 HydrophobicContact CG-CG 4.1Å; E21-R23 IonicContact OE1-CZ 3.6Å; E21-R23 IonicContact OE1-NE 3.19Å; E21-R23 PolarHBondContact OE1-NE 2.85Å; E21-R23 IonicContact OE1-NH2 2.73Å; E21-R23 PolarHBondContact OE1-NH2 2.9Å
22R39.2Very low40.2Very low251 Ų251150.5 Ų150.595%0.94782%0.824SS**  trans-97.7103.3160.8-77.3-175.9165.3-152.1-2.9108.2
23R40.7Very low40.5Very low203 Ų203152.1 Ų152.177%0.76682%0.82SS**  trans-90.3115.2161.3-76.4-175.7178.8-139.4-1.4108E21E21-R23 HydrophobicContact CG-CG 4.1Å; E21-R23 IonicContact OE1-CZ 3.6Å; E21-R23 IonicContact OE1-NE 3.19Å; E21-R23 PolarHBondContact OE1-NE 2.85Å; E21-R23 IonicContact OE1-NH2 2.73Å; E21-R23 PolarHBondContact OE1-NH2 2.9Å
24R42.2Very low40.4Very low223 Ų223151.5 Ų151.584%0.84281%0.814SS**  8695.584.9-164.5-176.6-100.7-99.87.3110.8
25G32.6Very low40.5Very low75 Ų75147.6 Ų147.677%0.77381%0.811SS**  trans-142.876.2164.700000107.6
26S38.9Very low40.6Very low94 Ų94151.5 Ų151.566%0.65781%0.806SS**  trans-82.9110.7175.338.80000109.1
27T45.1Very low41Very low135 Ų135155.9 Ų155.983%0.82880%0.796SS**  trans-91.7122.3159.3-12.30000106.9W29T27-W29 PolarHBondContact O-N 2.96Å
28P41.4Very low41.1Very low122 Ų122160.9 Ų160.979%0.79279%0.79SS**  trans-77.1114.4177.229.3-28.3000108.4G30P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.17Å
29W42.7Very low40.8Very low266 Ų266153 Ų153100%1.00877%0.773SS**  trans-62.7114.9160.5-107-46.1000107.1T27T27-W29 PolarHBondContact O-N 2.96Å
30G45.1Very low40.5Very low56 Ų56150.2 Ų150.258%0.57776%0.762SS**PPolyproline II helixtrans-61.1160.1171.200000111.2P28 A32P28-G30 PolarHBondContact O-N 3.36Å; P28-G30 VanDerWaalsContact O-N 3.17Å; G30-A32 PolarHBondContact O-N 3.09Å
31P44.6Very low40.4Very low134 Ų134144.3 Ų144.387%0.8776%0.755SS**PPolyproline II helixtrans-60.7133.2-179.726.1-32.3000110
32A45.7Very low40.9Very low87 Ų87141.9 Ų141.972%0.71975%0.75SS**PPolyproline II helixtrans-55.5142.516900000109.6G30G30-A32 PolarHBondContact O-N 3.09Å
33P39.5Very low41.1Very low114 Ų114133.7 Ų133.774%0.7472%0.724SS**PPolyproline II helixtrans-62.6145.3177.126.7-31.8000109.6L35P33-L35 PolarHBondContact O-N 3.1Å; P33-L35 VanDerWaalsContact O-N 3.15Å
34P38.2Very low41.3Very low106 Ų106129.9 Ų129.969%0.68872%0.715SS**PPolyproline II helixtrans-66.2117.9-17726.4-31.3000109.2H36P34-H36 PolarHBondContact O-N 3.17Å; P34-H36 VanDerWaalsContact O-N 3.08Å
35L42.3Very low41.4Very low169 Ų169127.4 Ų127.489%0.88571%0.706SS**  trans-56.9115.7160.9-69.2172.6000106.7P33 R37P33-L35 PolarHBondContact O-N 3.1Å; P33-L35 VanDerWaalsContact O-N 3.15Å; L35-R37 PolarHBondContact O-N 3.31Å
36H37.2Very low42.3Very low163 Ų163129.2 Ų129.276%0.75570%0.698SS**  trans-68.785.7176.9-88.1-5.2000109.6P34 R38P34-H36 PolarHBondContact O-N 3.17Å; P34-H36 VanDerWaalsContact O-N 3.08Å; H36-R38 VanDerWaalsContact C-N 3.29Å; H36-R38 PolarHBondContact O-N 3.14Å
37R44.3Very low42.8Very low180 Ų180128 Ų12868%0.67968%0.684SS**  trans-65.490.4159.9-168.9-178.1-161.9-128.20.7107.2L35 E119L35-R37 PolarHBondContact O-N 3.31Å; R37-E119 IonicContact CZ-OE1 3.31Å; R37-E119 IonicContact NH1-OE1 3.13Å; R37-E119 PolarHBondContact NH1-OE1 3.38Å; R37-E119 VanDerWaalsContact NH1-OE1 3.13Å; R37-E119 IonicContact NH2-OE1 2.84Å; R37-E119 PolarHBondContact NH2-OE1 2.89Å; R37-E119 IonicContact NH2-OE2 3.92Å
38R37.2Very low42.6Very low183 Ų183126.5 Ų126.569%0.69167%0.668SS**  trans-102.676165.4-64.4-174.198.5-167.76.7108.2H36 M40H36-R38 VanDerWaalsContact C-N 3.29Å; H36-R38 PolarHBondContact O-N 3.14Å; R38-M40 PolarHBondContact O-N 3.25Å
39S36.4Very low42.8Very low84 Ų84124.2 Ų124.259%0.58766%0.659SS**  trans-69.389.4157.547.10000107.1
40M37Very low43.1Very low127 Ų127115.9 Ų115.963%0.62665%0.646SS**  trans-89.5120.4164.7-71.2-145161.900107.7R38 V42R38-M40 PolarHBondContact O-N 3.25Å; M40-V42 PolarHBondContact O-N 3.38Å; M40-V42 VanDerWaalsContact O-N 3.14Å
41P38.5Very low43.2Very low122 Ų122117.4 Ų117.479%0.79264%0.641SS**  trans-60.7119.3164.525.5-29.8000107D43P41-D43 PolarHBondContact O-N 3Å; P41-D43 VanDerWaalsContact O-N 3.17Å
42V50.7Low42.7Very low86 Ų86114.8 Ų114.852%0.52163%0.631SS.*  trans-67.5115.2175-179.10000106.9M40 E44 L47 M141M40-V42 PolarHBondContact O-N 3.38Å; M40-V42 VanDerWaalsContact O-N 3.14Å; V42-E44 PolarHBondContact O-N 3.03Å; V42-L47 HydrophobicContact CG1-CD1 4.19Å; V42-M141 HydrophobicContact CG2-CE 4.08Å
43D42.1Very low42.5Very low78 Ų78117.1 Ų117.142%0.41764%0.639SS.*  trans-63.9130.4-176.9-152.9-20000108.8P41 R45 D46P41-D43 PolarHBondContact O-N 3Å; P41-D43 VanDerWaalsContact O-N 3.17Å; D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 IonicContact OD1-NE 3.71Å; D43-R45 IonicContact OD1-NH2 3.89Å; D43-R45 IonicContact OD2-CZ 3.71Å; D43-R45 IonicContact OD2-NE 3.67Å; D43-R45 IonicContact OD2-NH2 2.89Å; D43-R45 PolarHBondContact OD2-NH2 3.12Å; D43-D46 PolarHBondContact O-N 2.85Å
44E45.7Very low42.6Very low123 Ų123115 Ų11558%0.57564%0.638SS**Hα-helixtrans-57.1-21.2-173.2-161.2177171.900112.4V42 L47 Q48V42-E44 PolarHBondContact O-N 3.03Å; E44-L47 WeakPolarHBondContact O-CB 3.29Å; E44-L47 PolarHBondContact O-N 2.92Å; E44-Q48 PolarHBondContact O-N 2.92Å; E44-Q48 VanDerWaalsContact O-N 3.14Å; E44-Q48 PolarHBondContact O-OE1 3.1Å
45R44.9Very low42.6Very low172 Ų172116 Ų11665%0.64965%0.646SS**Hα-helixtrans-69.3-33.5176.8-70.8-178.4-74.2-178.40.5114.1D43 L47 Q48 A49D43-R45 PolarHBondContact O-N 3.49Å; D43-R45 IonicContact OD1-NE 3.71Å; D43-R45 IonicContact OD1-NH2 3.89Å; D43-R45 IonicContact OD2-CZ 3.71Å; D43-R45 IonicContact OD2-NE 3.67Å; D43-R45 IonicContact OD2-NH2 2.89Å; D43-R45 PolarHBondContact OD2-NH2 3.12Å; R45-L47 VanDerWaalsContact C-N 3.32Å; R45-Q48 WeakPolarHBondContact O-CB 3.33Å; R45-Q48 PolarHBondContact O-N 3.44Å; R45-A49 PolarHBondContact O-N 3.17Å
46D50.3Low42.4Very low113 Ų113116.4 Ų116.460%0.60465%0.649SS**Hα-helixtrans-73.1-31.4178-69.1-28.2000111.1D43 A49 A50D43-D46 PolarHBondContact O-N 2.85Å; D46-A49 PolarHBondContact O-N 3Å; D46-A50 PolarHBondContact O-N 3.39Å
47L49.4Very low42.2Very low68 Ų68113.2 Ų113.236%0.35665%0.65SS.*Hα-helixtrans-64.9-40.3167.7-89.7134.7000111.7V42 E44 R45 L51 W153V42-L47 HydrophobicContact CG1-CD1 4.19Å; E44-L47 WeakPolarHBondContact O-CB 3.29Å; E44-L47 PolarHBondContact O-N 2.92Å; R45-L47 VanDerWaalsContact C-N 3.32Å; L47-L51 WeakPolarHBondContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-W153 HydrophobicContact CD2-CH2 4.16Å
48Q42.4Very low41.6Very low104 Ų104109.9 Ų109.949%0.48666%0.661SS.*Hα-helixtrans-67.3-36.7175.4-119.4104.243.200113E44 R45 L51E44-Q48 PolarHBondContact O-N 2.92Å; E44-Q48 VanDerWaalsContact O-N 3.14Å; E44-Q48 PolarHBondContact O-OE1 3.1Å; R45-Q48 WeakPolarHBondContact O-CB 3.33Å; R45-Q48 PolarHBondContact O-N 3.44Å; Q48-L51 WeakPolarHBondContact O-CB 3.31Å; Q48-L51 PolarHBondContact O-N 3.15Å; Q48-L51 VanDerWaalsContact O-N 3.07Å
49A45.2Very low41.4Very low74 Ų74105.8 Ų105.861%0.61267%0.667SS**Hα-helixtrans-67.8-35.3-179.800000112.5R45 D46 L51R45-A49 PolarHBondContact O-N 3.17Å; D46-A49 PolarHBondContact O-N 3Å; A49-L51 PolarHBondContact O-N 2.81Å
50A49.4Very low41.1Very low90 Ų90106.9 Ų106.974%0.74468%0.681SS**THydrogen-bonded Turntrans-69-9.4171.700000113.7D46D46-A50 PolarHBondContact O-N 3.39Å
51L46.3Very low40.9Very low89 Ų89105.9 Ų105.947%0.46669%0.693SS.*THydrogen-bonded Turntrans-108.38.5-174.3-68.9169.5000114.3L47 Q48 A49 P53L47-L51 WeakPolarHBondContact O-CD1 3.24Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; Q48-L51 WeakPolarHBondContact O-CB 3.31Å; Q48-L51 PolarHBondContact O-N 3.15Å; Q48-L51 VanDerWaalsContact O-N 3.07Å; A49-L51 PolarHBondContact O-N 2.81Å; L51-P53 VanDerWaalsContact O-CD 3.29Å; L51-P53 WeakPolarHBondContact O-CD 3.46Å
52A34.6Very low40.5Very low79 Ų79103.3 Ų103.365%0.65369%0.689SS**  trans-79.6117.5176.300000112.4G54A52-G54 PolarHBondContact O-N 3.24Å
53P40.7Very low39.6Very low136 Ų136106.5 Ų106.588%0.88371%0.709SS**SBendtrans-79.4104.8171.930.8-29.2000109.4L51L51-P53 VanDerWaalsContact O-CD 3.29Å; L51-P53 WeakPolarHBondContact O-CD 3.46Å
54G42.8Very low39.1Very low70 Ų70106.5 Ų106.572%0.72273%0.727SS**  trans174.7-6.2175.400000121.5A52 L56A52-G54 PolarHBondContact O-N 3.24Å; G54-L56 PolarHBondContact O-N 2.93Å
55S37.2Very low38.4Very low125 Ų125107.2 Ų107.287%0.87474%0.735SS**  trans-98.142.2-174-1600000115.3
56L38.2Very low37.8Very low179 Ų179107.3 Ų107.394%0.93774%0.742SS**SBendtrans-13456.4167.7-79.1172.8000110.7G54G54-L56 PolarHBondContact O-N 2.93Å
57A32.9Very low36.9Very low95 Ų95105.6 Ų105.679%0.78575%0.752SS**  trans-166.886.5163.100000111.7
58A32.3Very low36.4Very low110 Ų110108.3 Ų108.391%0.90977%0.773SS**  trans-168.462.7151.500000110.5
59A32.8Very low35.9Very low98 Ų98114.9 Ų114.981%0.8179%0.794SS**  trans-112.3128.6154.900000107.3
60A30.3Very low35.3Very low107 Ų107120.1 Ų120.188%0.88481%0.811SS**  trans83.196.3173.400000118.2
61A32.6Very low34.4Very low106 Ų106122.9 Ų122.988%0.87681%0.813SS**  -176.7123.512100000109.2
62G29.1Very low33.6Very low68 Ų68130.1 Ų130.170%0.70183%0.834SS**  trans-87.6161.8177.700000113.6
63T33.3Very low33.7Very low153 Ų153131.6 Ų131.694%0.93984%0.837SS**  167.5133.4123.840.10000109.8
64G30.1Very low33.5Very low77 Ų77134 Ų13479%0.79484%0.836SS**  trans102101.2138.900000120.2
65N30.8Very low32.9Very low139 Ų139138 Ų13874%0.74384%0.841SS**  98.4102.1123.8-140.257.8000121.9
66Q33.2Very low32.9Very low173 Ų173137.4 Ų137.481%0.80884%0.837SS**  trans66.2101.7130.8-66.5-171.989.900123.6
67G30.5Very low32.9Very low78 Ų78137.2 Ų137.280%0.80483%0.831SS**  90.6160.3122.100000119.9
68P40Very low32.9Very low125 Ų125139.7 Ų139.781%0.81283%0.831SS**  cis-125.9152.5-16.537.5-21.1000115.6
69R31.2Very low33.2Very low241 Ų241140.2 Ų140.291%0.90983%0.828SS**  trans14.1124.5151.8-72.9177.7158.9178.3-7.7120.5
70L32.8Very low33.7Very low185 Ų185143.7 Ų143.797%0.96983%0.832SS**  trans-141.8142.9132.1-73.5179.8000110.5
71D30.1Very low34Very low147 Ų147144.7 Ų144.779%0.78683%0.833SS**  trans-84.9136.4-163.2-162.933.7000111.5
72W29.6Very low34.5Very low242 Ų242144.9 Ų144.992%0.91783%0.828SS**  trans-137.9129164.6-85.2142.7000110.6
73P37.6Very low35Very low109 Ų109145.5 Ų145.571%0.70883%0.834SS**  trans-78.9140.4-170.831-31.4000111.9
74E35.9Very low35.1Very low187 Ų187140.9 Ų140.987%0.87482%0.817SS**  trans-65.7128.4158.8-73.9170.8113.400109.4
75D31Very low35.7Very low153 Ų153142.3 Ų142.382%0.81882%0.815SS**  trans-156.7125149.4-103.3-32.9000112.4
76S36.2Very low36.1Very low113 Ų113142.7 Ų142.779%0.7982%0.817SS**  trans85.2129.5139.5-61.70000121.1
77E38.3Very low36.8Very low176 Ų176139.1 Ų139.182%0.82281%0.811SS**  trans-83.5173.4-170.4-56.7-178.3102.200114
78D33.8Very low37.6Very low147 Ų147140.8 Ų140.879%0.78680%0.801SS**  trans75.397.2156.5-65-21.1000119.4
79S38.5Very low38.5Very low120 Ų120143.1 Ų143.184%0.83980%0.802SS**  trans-146.2100.1141.8-76.10000110.6
80L42Very low40.4Very low172 Ų172132.8 Ų132.890%0.90177%0.766SS**  trans6.1109.6155.8-57.4170.7000115.8S82L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 3.49Å
81S38.6Very low43.2Very low128 Ų128126.7 Ų126.790%0.89574%0.736SS**  trans-58.892.3162.4-59.40000110.1G83S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.15Å
82S43.1Very low46.3Very low110 Ų110120.8 Ų120.877%0.76970%0.703SS**  trans-62.7110.1153.6-178.10000106.3L80 G84L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 3.49Å; S82-G84 PolarHBondContact O-N 3.47Å
83G39.4Very low49.4Very low81 Ų81113.3 Ų113.384%0.83568%0.677SS**  trans-66.766.4165.900000109.7S81 S85S81-G83 PolarHBondContact O-N 3.35Å; S81-G83 VanDerWaalsContact O-N 3.15Å; G83-S85 PolarHBondContact O-N 3.08Å
84G35.5Very low52.2Low56 Ų56108.1 Ų108.158%0.57764%0.643SS**  trans-63.3112.5161.500000106.2S82 D86S82-G84 PolarHBondContact O-N 3.47Å; G84-D86 VanDerWaalsContact C-N 3.35Å; G84-D86 PolarHBondContact O-N 3.41Å
85S41.2Very low55.1Low106 Ų10699.2 Ų99.274%0.74160%0.602SS**  trans-51.4112.5154.7-175.90000105.1G83 S87G83-S85 PolarHBondContact O-N 3.08Å; S85-S87 PolarHBondContact O-N 2.81Å
86D39.8Very low58.2Low147 Ų14792 Ų9279%0.78656%0.564SS**  trans-63.976.3167.8-163.137000105.6G84 D88G84-D86 VanDerWaalsContact C-N 3.35Å; G84-D86 PolarHBondContact O-N 3.41Å; D86-D88 PolarHBondContact O-N 2.82Å
87S47.5Very low61Low99 Ų9986.7 Ų86.769%0.69253%0.526SS*.  trans-67.977.4162.241.90000104S85 E89S85-S87 PolarHBondContact O-N 2.81Å; S87-E89 PolarHBondContact O-N 3.28Å
88D48.2Very low63.8Low113 Ų11378.3 Ų78.360%0.60449%0.487SS*.  trans-43.5112.6173.2-173.231.8000105.3D86 S90D86-D88 PolarHBondContact O-N 2.82Å; D88-S90 VanDerWaalsContact CG-OG 3.22Å; D88-S90 PolarHBondContact O-N 3.08Å; D88-S90 PolarHBondContact O-OG 3.45Å; D88-S90 PolarHBondContact OD2-OG 3.42Å
89E57.7Low66.7Low174 Ų17471.9 Ų71.981%0.81345%0.454SS*.  trans-71.455.6178.7-161.6167.4128.700106.8S87 V91S87-E89 PolarHBondContact O-N 3.28Å; E89-V91 PolarHBondContact O-N 3.13Å; E89-V91 VanDerWaalsContact O-N 3.12Å
90S71.8Confident69.3Low24 Ų2470.7 Ų70.717%0.16844%0.443CS..  trans-73.3112.4-170.9-28.50000106.8D88 Y92 R255D88-S90 VanDerWaalsContact CG-OG 3.22Å; D88-S90 PolarHBondContact O-N 3.08Å; D88-S90 PolarHBondContact O-OG 3.45Å; D88-S90 PolarHBondContact OD2-OG 3.42Å; S90-Y92 PolarHBondContact O-N 2.88Å; S90-R255 PolarHBondContact OG-NH1 2.81Å; S90-R255 VanDerWaalsContact OG-NH1 3.11Å
91V91.5Very high71.8Confident56 Ų5665.5 Ų65.534%0.33943%0.431SS..  trans-59121.9166.6-178.10000108.7E89 S139 M141E89-V91 PolarHBondContact O-N 3.13Å; E89-V91 VanDerWaalsContact O-N 3.12Å; V91-S139 WeakPolarHBondContact CA-O 3.37Å; V91-M141 HydrophobicContact CG1-CB 3.64Å
92Y94.9Very high74.6Confident23 Ų2359.4 Ų59.49%0.0939%0.389CS..EExtended strand (participates in β ladder)trans-82.6123.5178.6-62.9-59.1000110.9S90 A138 S139 L140 M141 V248 I251S90-Y92 PolarHBondContact O-N 2.88Å; Y92-A138 HydrophobicContact CD2-CB 4.23Å; Y92-A138 HydrophobicContact CE2-CB 3.95Å; Y92-S139 PolarHBondContact N-O 3.01Å; Y92-L140 HydrophobicContact CD2-CD2 3.89Å; Y92-L140 HydrophobicContact CG-CD2 4.22Å; Y92-L140 WeakPolarHBondContact O-CA 3.5Å; Y92-M141 PolarHBondContact O-N 3.35Å; Y92-V248 HydrophobicContact CE2-CG1 4.39Å; Y92-I251 HydrophobicContact CD1-CB 4.36Å; Y92-I251 HydrophobicContact CD1-CD1 3.85Å; Y92-I251 HydrophobicContact CD1-CG2 3.55Å; Y92-I251 HydrophobicContact CD2-CD1 4.34Å; Y92-I251 HydrophobicContact CE1-CB 4.25Å; Y92-I251 HydrophobicContact CE1-CG2 3.32Å; Y92-I251 HydrophobicContact CG-CD1 3.72Å; Y92-I251 HydrophobicContact CG-CG2 4.39Å
93K94.8Very high77.1Confident85 Ų8555.1 Ų55.137%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-85.5115.9178.4-63.4179.3-174.7174.70110.8Y143 M161 D163 A164K93-Y143 HydrophobicContact CB-CE2 3.86Å; K93-Y143 HydrophobicContact CD-CE2 4.41Å; K93-Y143 HydrophobicContact CG-CE2 3.96Å; K93-M161 HydrophobicContact CD-CG 4.3Å; K93-D163 PolarHBondContact N-OD2 2.9Å; K93-D163 PolarHBondContact O-N 3.44Å; K93-A164 PolarHBondContact O-N 2.71Å; K93-A164 VanDerWaalsContact O-N 3.12Å
94V96.7Very high79.8Confident0 Ų051.9 Ų51.90%033%0.325CS..EExtended strand (participates in β ladder)trans-115.4121.8-178.1-173.90000109.5L140 M141 V142 Y143 A164 V166 V247V94-L140 HydrophobicContact CG2-CD2 4.05Å; V94-M141 PolarHBondContact N-O 2.83Å; V94-V142 HydrophobicContact CB-CG2 4.26Å; V94-V142 CarbonylContact O-C 3.56Å; V94-V142 WeakPolarHBondContact O-CA 3.26Å; V94-Y143 PolarHBondContact O-N 3.3Å; V94-A164 HydrophobicContact CG1-CB 4.48Å; V94-A164 HydrophobicContact CG2-CB 4.39Å; V94-V166 HydrophobicContact CG1-CG2 3.83Å; V94-V247 HydrophobicContact CG1-CG1 4.26Å; V94-V247 HydrophobicContact CG2-CG1 3.77Å
95L95.9Very high82.6Confident1 Ų151.1 Ų51.11%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-104.1134177.4-76.790000111.8Y143 C158 M161 A164 Y165 V166L95-Y143 HydrophobicContact CD1-CD2 4.3Å; L95-Y143 HydrophobicContact CG-CD2 4.34Å; L95-C158 HydrophobicContact CD2-CB 3.67Å; L95-C158 WeakPolarHBondContact CD2-O 3.38Å; L95-M161 HydrophobicContact CD1-CB 4.42Å; L95-A164 PolarHBondContact N-O 3.43Å; L95-Y165 HydrophobicContact CB-CD1 3.84Å; L95-Y165 HydrophobicContact CB-CE1 3.85Å; L95-Y165 HydrophobicContact CD1-CE1 4.16Å; L95-Y165 HydrophobicContact CD2-CE1 4.24Å; L95-Y165 HydrophobicContact CG-CE1 4.31Å; L95-V166 PolarHBondContact O-N 2.77Å
96L96.5Very high85.1Confident2 Ų247.6 Ų47.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-93.8123.1172.6-52.3-173.5000110.1K104 A108 V142 Y143 W146 V166L96-K104 HydrophobicContact CB-CB 4.18Å; L96-K104 HydrophobicContact CB-CD 4.47Å; L96-K104 HydrophobicContact CB-CG 4.49Å; L96-K104 HydrophobicContact CD1-CB 4.29Å; L96-K104 VanDerWaalsContact CD1-O 3.31Å; L96-K104 WeakPolarHBondContact CD1-O 3.5Å; L96-A108 HydrophobicContact CD1-CB 3.72Å; L96-V142 HydrophobicContact CD1-CG1 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.07Å; L96-V142 HydrophobicContact CG-CG1 3.84Å; L96-Y143 PolarHBondContact N-O 3.19Å; L96-Y143 VanDerWaalsContact N-O 3.07Å; L96-W146 WeakPolarHBondContact O-CB 3.38Å; L96-V166 WeakPolarHBondContact CA-O 3.44Å; L96-V166 HydrophobicContact CD2-CB 3.68Å; L96-V166 HydrophobicContact CD2-CG1 4.11Å; L96-V166 HydrophobicContact CD2-CG2 4.14Å
97L95.7Very high87.8Confident1 Ų140.6 Ų40.61%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-120.1155.2178.6-51.3-179.7000109.7W146 Y165 V166 I167 V168 L183 L187L97-W146 HydrophobicContact CB-CG 4.44Å; L97-W146 HydrophobicContact CD2-CB 4.05Å; L97-W146 HydrophobicContact CD2-CD2 3.7Å; L97-W146 HydrophobicContact CD2-CE3 3.5Å; L97-W146 HydrophobicContact CD2-CG 3.92Å; L97-W146 HydrophobicContact CD2-CZ3 4.28Å; L97-Y165 HydrophobicContact CD1-CD1 3.76Å; L97-Y165 HydrophobicContact CD1-CE1 4.45Å; L97-Y165 HydrophobicContact CG-CD1 4.24Å; L97-V166 PolarHBondContact N-O 3.02Å; L97-I167 HydrophobicContact CB-CG1 4.37Å; L97-I167 HydrophobicContact CD1-CG1 4.36Å; L97-I167 WeakPolarHBondContact O-CA 3.38Å; L97-V168 PolarHBondContact O-N 3.32Å; L97-L183 HydrophobicContact CB-CD1 4.36Å; L97-L187 HydrophobicContact CD1-CD2 4.42Å
98G95.9Very high90.1Very high0 Ų035.9 Ų35.90%022%0.217CC..  trans145.3166.817700000112.7K104 W146 V168G98-K104 PolarHBondContact O-NZ 3.35Å; G98-W146 PolarHBondContact O-NE1 3.29Å; G98-V168 WeakPolarHBondContact CA-O 3.47Å
99A95.2Very high92.2Very high12 Ų1235.2 Ų35.210%0.09921%0.206CC..  trans-58.9160.4-18000000112.6V102 K104 K179A99-V102 HydrophobicContact CB-CG1 3.88Å; A99-V102 WeakPolarHBondContact O-CG1 3.48Å; A99-V102 WeakPolarHBondContact O-CG2 3.47Å; A99-K104 PolarHBondContact O-NZ 3.03Å; A99-K179 HydrophobicContact CB-CB 4.45Å; A99-K179 HydrophobicContact CB-CG 4.29Å
100P93.1Very high93.9Very high94 Ų9428.9 Ų28.961%0.6118%0.178SC*.THydrogen-bonded Turntrans-56.4145.3171.2-24.634.9000111.8V102P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.5Å; P100-V102 VanDerWaalsContact O-N 3.15Å
101G94.2Very high94.9Very high63 Ų6328.2 Ų28.265%0.64917%0.172SC*.THydrogen-bonded Turntrans73.7-0.2173.700000117.1G103 K204G101-G103 PolarHBondContact O-N 3.38Å; G101-K204 WeakPolarHBondContact O-CE 3.13Å; G101-K204 PolarHBondContact O-NZ 3.42Å
102V97.7Very high94.7Very high1 Ų126.4 Ų26.41%0.00617%0.165CC..SBendtrans-71.6-15.6177.6-57.80000113.8A99 P100 K104 V168 N203A99-V102 HydrophobicContact CB-CG1 3.88Å; A99-V102 WeakPolarHBondContact O-CG1 3.48Å; A99-V102 WeakPolarHBondContact O-CG2 3.47Å; P100-V102 VanDerWaalsContact C-N 3.25Å; P100-V102 PolarHBondContact O-N 3.5Å; P100-V102 VanDerWaalsContact O-N 3.15Å; V102-K104 HydrophobicContact CG2-CD 4.41Å; V102-K104 HydrophobicContact CG2-CG 3.69Å; V102-V168 HydrophobicContact CB-CG1 4.33Å; V102-V168 HydrophobicContact CG2-CB 3.95Å; V102-V168 HydrophobicContact CG2-CG1 3.88Å; V102-N203 PolarHBondContact O-ND2 2.96Å
103G96.4Very high94.2Very high19 Ų1927.2 Ų27.220%0.19618%0.18CC..SBendtrans102.226.1177.100000115.9G101 A106 L107G101-G103 PolarHBondContact O-N 3.38Å; G103-A106 PolarHBondContact O-N 3.36Å; G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 3.07Å; G103-L107 VanDerWaalsContact O-N 3.08Å
104K95.9Very high93.2Very high14 Ų1424.8 Ų24.86%0.06117%0.172CC..Hα-helixtrans-54.1-55.7173.5-56-176.2-63-85.70111.7L96 G98 A99 V102 A106 L107 A108 D144 W146 V168L96-K104 HydrophobicContact CB-CB 4.18Å; L96-K104 HydrophobicContact CB-CD 4.47Å; L96-K104 HydrophobicContact CB-CG 4.49Å; L96-K104 HydrophobicContact CD1-CB 4.29Å; L96-K104 VanDerWaalsContact CD1-O 3.31Å; L96-K104 WeakPolarHBondContact CD1-O 3.5Å; G98-K104 PolarHBondContact O-NZ 3.35Å; A99-K104 PolarHBondContact O-NZ 3.03Å; V102-K104 HydrophobicContact CG2-CD 4.41Å; V102-K104 HydrophobicContact CG2-CG 3.69Å; K104-A106 VanDerWaalsContact C-N 3.29Å; K104-A106 PolarHBondContact O-N 2.98Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.17Å; K104-A108 PolarHBondContact O-N 3.04Å; K104-D144 VanDerWaalsContact CB-OD1 3.28Å; K104-D144 WeakPolarHBondContact CB-OD1 3.39Å; K104-W146 WeakPolarHBondContact CE-O 3.48Å; K104-V168 HydrophobicContact CG-CB 4.27Å; K104-V168 HydrophobicContact CG-CG2 4.37Å
105S93.7Very high91.6Very high39 Ų3933 Ų3327%0.27321%0.21SC..Hα-helixtrans-59.8-37178.4-40.40000113.4A108 R109 D144S105-A108 PolarHBondContact O-N 3.39Å; S105-R109 VanDerWaalsContact O-CG 3.31Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.22Å; S105-D144 WeakPolarHBondContact CA-OD2 3.28Å; S105-D144 WeakPolarHBondContact CB-OD2 3.3Å; S105-D144 PolarHBondContact N-OD1 3.48Å; S105-D144 PolarHBondContact OG-OD2 2.76Å
106A94.7Very high89.8Confident32 Ų3240.4 Ų40.426%0.26425%0.25SC..Hα-helixtrans-65.1-45.6177.600000111.1G103 K104 A108 R109 I110 A234G103-A106 PolarHBondContact O-N 3.36Å; K104-A106 VanDerWaalsContact C-N 3.29Å; K104-A106 PolarHBondContact O-N 2.98Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.43Å; A106-R109 PolarHBondContact O-N 2.75Å; A106-I110 WeakPolarHBondContact O-CD1 3.38Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.06Å; A106-I110 VanDerWaalsContact O-N 3.1Å; A106-A234 HydrophobicContact CB-CB 3.8Å
107L96.7Very high88Confident0 Ų042 Ų420%027%0.267CS..Hα-helixtrans-61.6-41.8174.5-68.5170.1000111.7G103 K104 F111 V168 V201 A234 V240G103-L107 WeakPolarHBondContact O-CG 3.32Å; G103-L107 PolarHBondContact O-N 3.07Å; G103-L107 VanDerWaalsContact O-N 3.08Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.17Å; L107-F111 WeakPolarHBondContact O-CB 3.42Å; L107-F111 PolarHBondContact O-N 2.94Å; L107-V168 HydrophobicContact CD1-CG1 4.04Å; L107-V168 HydrophobicContact CD1-CG2 4.08Å; L107-V201 HydrophobicContact CD1-CG1 4.38Å; L107-A234 HydrophobicContact CD2-CB 4.08Å; L107-A234 HydrophobicContact CG-CB 4.39Å; L107-V240 HydrophobicContact CD2-CG1 4.2Å; L107-V240 HydrophobicContact CD2-CG2 3.83Å
108A94.9Very high86.2Confident0 Ų047.7 Ų47.70%030%0.304CS..Hα-helixtrans-63.5-45.1179.400000112.6L96 K104 S105 A106 F111 G112 Y127 V142 D144L96-A108 HydrophobicContact CD1-CB 3.72Å; K104-A108 PolarHBondContact O-N 3.04Å; S105-A108 PolarHBondContact O-N 3.39Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.43Å; A108-F111 WeakPolarHBondContact O-CB 3.46Å; A108-F111 PolarHBondContact O-N 3.01Å; A108-G112 PolarHBondContact O-N 3.35Å; A108-Y127 HydrophobicContact CB-CD2 3.49Å; A108-Y127 VanDerWaalsContact CB-CD2 3.49Å; A108-Y127 HydrophobicContact CB-CE2 3.46Å; A108-Y127 VanDerWaalsContact CB-CE2 3.46Å; A108-Y127 HydrophobicContact CB-CG 4.29Å; A108-V142 HydrophobicContact CB-CG1 4.23Å; A108-D144 HydrophobicContact CB-CB 4.11Å
109R91.9Very high84.2Confident99 Ų9952.9 Ų52.937%0.37433%0.328SS..Hα-helixtrans-65-45.2177.8-71.6178.7-144.91350.9112.7S105 A106 F111 G112 G113 V114 Y127S105-R109 VanDerWaalsContact O-CG 3.31Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.22Å; A106-R109 PolarHBondContact O-N 2.75Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.47Å; R109-G112 CarbonylContact O-C 3.52Å; R109-G112 PolarHBondContact O-N 2.88Å; R109-G112 VanDerWaalsContact O-N 3.15Å; R109-G113 PolarHBondContact O-N 3.46Å; R109-V114 PolarHBondContact O-N 3.48Å; R109-Y127 HydrophobicContact CG-CE1 3.84Å; R109-Y127 WeakPolarHBondContact CG-OH 3.38Å
110I92.9Very high82.3Confident41 Ų4153.4 Ų53.421%0.2133%0.333CS..Hα-helixtrans-59.2-44176.2-66.5165.3000109.8A106 G113 A234 H237 V240A106-I110 WeakPolarHBondContact O-CD1 3.38Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.06Å; A106-I110 VanDerWaalsContact O-N 3.1Å; I110-G113 PolarHBondContact O-N 3.32Å; I110-A234 HydrophobicContact CD1-CB 3.71Å; I110-A234 WeakPolarHBondContact CD1-O 3.29Å; I110-H237 VanDerWaalsContact CG2-ND1 3.29Å; I110-H237 WeakPolarHBondContact CG2-ND1 3.29Å; I110-V240 HydrophobicContact CB-CG1 4.25Å; I110-V240 HydrophobicContact CG2-CB 4.21Å; I110-V240 HydrophobicContact CG2-CG1 3.75Å; I110-V240 HydrophobicContact CG2-CG2 4.39Å
111F92.6Very high80.5Confident10 Ų1057.5 Ų57.54%0.04434%0.344CS..Hα-helixtrans-61.3-47.8174.3176.7-102.4000112L107 A108 R109 G113 R129 I131 L140 V142 F244L107-F111 WeakPolarHBondContact O-CB 3.42Å; L107-F111 PolarHBondContact O-N 2.94Å; A108-F111 WeakPolarHBondContact O-CB 3.46Å; A108-F111 PolarHBondContact O-N 3.01Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.47Å; F111-G113 PolarHBondContact O-N 3.25Å; F111-G113 VanDerWaalsContact O-N 3.1Å; F111-R129 HydrophobicContact CD1-CB 4.37Å; F111-R129 HydrophobicContact CE1-CB 3.6Å; F111-R129 HydrophobicContact CE2-CB 4.39Å; F111-R129 HydrophobicContact CZ-CB 3.6Å; F111-R129 HydrophobicContact CZ-CG 4.42Å; F111-R129 WeakPolarHBondContact O-CD 3.35Å; F111-R129 PolarHBondContact O-NH1 3.16Å; F111-I131 HydrophobicContact CE2-CD1 4.48Å; F111-I131 HydrophobicContact CE2-CG2 3.94Å; F111-I131 HydrophobicContact CZ-CG2 4.4Å; F111-L140 HydrophobicContact CE1-CB 3.95Å; F111-L140 HydrophobicContact CE1-CD1 4.43Å; F111-L140 HydrophobicContact CE2-CD1 3.87Å; F111-L140 HydrophobicContact CZ-CB 3.65Å; F111-L140 HydrophobicContact CZ-CD1 3.61Å; F111-L140 HydrophobicContact CZ-CG 4.03Å; F111-V142 HydrophobicContact CD1-CB 4.23Å; F111-V142 HydrophobicContact CD1-CG2 3.45Å; F111-V142 VanDerWaalsContact CD1-CG2 3.45Å; F111-V142 HydrophobicContact CE1-CG2 3.51Å; F111-V142 HydrophobicContact CG-CG2 4.29Å; F111-V142 HydrophobicContact CZ-CG2 4.41Å; F111-F244 HydrophobicContact CB-CD2 3.88Å; F111-F244 HydrophobicContact CB-CE1 4.28Å; F111-F244 HydrophobicContact CB-CE2 3.44Å; F111-F244 VanDerWaalsContact CB-CE2 3.44Å; F111-F244 HydrophobicContact CB-CG 4.5Å; F111-F244 HydrophobicContact CB-CZ 3.65Å; F111-F244 HydrophobicContact CD1-CE1 4.42Å; F111-F244 HydrophobicContact CD2-CB 3.81Å; F111-F244 AromaticContact CD2-CD1 3.8Å; F111-F244 HydrophobicContact CD2-CD1 3.8Å; F111-F244 AromaticContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CE1 4.21Å; F111-F244 AromaticContact CD2-CE2 3.84Å; F111-F244 HydrophobicContact CD2-CE2 3.84Å; F111-F244 AromaticContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CZ 4.23Å; F111-F244 HydrophobicContact CE2-CB 3.77Å; F111-F244 HydrophobicContact CE2-CD1 4.08Å; F111-F244 HydrophobicContact CE2-CD2 4.2Å; F111-F244 AromaticContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CG-CD1 4.06Å; F111-F244 AromaticContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CE1 4.01Å; F111-F244 AromaticContact CG-CE2 3.81Å; F111-F244 HydrophobicContact CG-CE2 3.81Å; F111-F244 AromaticContact CG-CG 3.98Å; F111-F244 HydrophobicContact CG-CG 3.98Å; F111-F244 AromaticContact CG-CZ 3.88Å; F111-F244 HydrophobicContact CG-CZ 3.88Å
112G89Confident78.8Confident19 Ų1958.7 Ų58.720%0.19635%0.348CS..Hα-helixtrans-65-11.2178.900000114.5A108 R109 V114A108-G112 PolarHBondContact O-N 3.35Å; R109-G112 CarbonylContact O-C 3.52Å; R109-G112 PolarHBondContact O-N 2.88Å; R109-G112 VanDerWaalsContact O-N 3.15Å; G112-V114 PolarHBondContact O-N 2.87Å
113G84.6Confident77Confident39 Ų3960.5 Ų60.540%0.40236%0.362SS..THydrogen-bonded Turntrans65.125.7-175.100000112.3R109 I110 F111 E115R109-G113 PolarHBondContact O-N 3.46Å; I110-G113 PolarHBondContact O-N 3.32Å; F111-G113 PolarHBondContact O-N 3.25Å; F111-G113 VanDerWaalsContact O-N 3.1Å; G113-E115 PolarHBondContact O-N 3.39Å
114V73Confident76Confident34 Ų3461 Ų6121%0.20637%0.368CS..  trans-84.7108.8178.4179.80000107.3R109 G112 A120 Y127R109-V114 PolarHBondContact O-N 3.48Å; G112-V114 PolarHBondContact O-N 2.87Å; V114-A120 VanDerWaalsContact CG1-CA 3.48Å; V114-A120 HydrophobicContact CG1-CB 3.37Å; V114-Y127 HydrophobicContact CG2-CD1 4.05Å; V114-Y127 HydrophobicContact CG2-CE1 4.14Å
115E63.3Low75.5Confident172 Ų17263.7 Ų63.780%0.80438%0.38SS*.  trans-74.8153.1169.2-61.8-169.8153.800109.8G113 G117G113-E115 PolarHBondContact O-N 3.39Å; E115-G117 PolarHBondContact O-N 2.91Å
116D58.2Low75.3Confident157 Ų15764.3 Ų64.384%0.8438%0.383SS*.SBendtrans-60.1110179.6-69.5-44000110
117G59.3Low75.1Confident36 Ų3663.3 Ų63.337%0.37137%0.372SS..SBendtrans-179.5178-174.400000112.7E115 E119 A120E115-G117 PolarHBondContact O-N 2.91Å; G117-E119 PolarHBondContact O-N 3.2Å; G117-A120 WeakPolarHBondContact O-CB 3.44Å; G117-A120 PolarHBondContact O-N 3.39Å
118P56.3Low74.8Confident120 Ų12067.3 Ų67.378%0.77939%0.394SS*.Hα-helixtrans-63.9-21.9-176.624.9-33.5000113.9A120 E121P118-A120 PolarHBondContact O-N 3.19Å; P118-E121 PolarHBondContact O-N 3.15Å
119E55.1Low74.7Confident109 Ų10972.5 Ų72.551%0.50941%0.413SS..Hα-helixtrans-66.7-23.6174.2-157.8171.5175.200111.8R37 G117 A122 A123R37-E119 IonicContact CZ-OE1 3.31Å; R37-E119 IonicContact NH1-OE1 3.13Å; R37-E119 PolarHBondContact NH1-OE1 3.38Å; R37-E119 VanDerWaalsContact NH1-OE1 3.13Å; R37-E119 IonicContact NH2-OE1 2.84Å; R37-E119 PolarHBondContact NH2-OE1 2.89Å; R37-E119 IonicContact NH2-OE2 3.92Å; G117-E119 PolarHBondContact O-N 3.2Å; E119-A122 PolarHBondContact O-N 3.29Å; E119-A123 PolarHBondContact O-N 3.2Å
120A55.3Low74.7Confident24 Ų2470.1 Ų70.120%0.19841%0.412CS..Hα-helixtrans-72.3-32.8176.500000113.5V114 G117 P118V114-A120 VanDerWaalsContact CG1-CA 3.48Å; V114-A120 HydrophobicContact CG1-CB 3.37Å; G117-A120 WeakPolarHBondContact O-CB 3.44Å; G117-A120 PolarHBondContact O-N 3.39Å; P118-A120 PolarHBondContact O-N 3.19Å
121E55.5Low74.8Confident180 Ų18069.7 Ų69.784%0.84141%0.41SS*.Hα-helixtrans-73.3-30.9175.2-68.3-166.8161.200111.7P118P118-E121 PolarHBondContact O-N 3.15Å
122A57.6Low74.9Confident88 Ų8873.9 Ų73.973%0.72744%0.436SS*.Hα-helixtrans-75.4-28.7179.500000113.8E119 G124E119-A122 PolarHBondContact O-N 3.29Å; A122-G124 PolarHBondContact O-N 2.98Å
123A59Low75.3Confident38 Ų3873 Ų7331%0.31443%0.427SS..THydrogen-bonded Turntrans-69.3-18.917900000113.4E119 H125 Y127E119-A123 PolarHBondContact O-N 3.2Å; A123-H125 PolarHBondContact O-N 3.15Å; A123-Y127 HydrophobicContact CB-CE1 4.42Å
124G75.6Confident75.7Confident30 Ų3076.5 Ų76.531%0.30944%0.436SS..THydrogen-bonded Turntrans61.1-127.7-176.400000112.3A122 Y127A122-G124 PolarHBondContact O-N 2.98Å; G124-Y127 PolarHBondContact O-OH 3.11Å
125H85.3Confident76.7Confident70 Ų7078.3 Ų78.332%0.32446%0.461SS..THydrogen-bonded Turntrans-114.217.5-174.7-60.8-57.8000113.8A123 D144 I145 Q148A123-H125 PolarHBondContact O-N 3.15Å; H125-D144 WeakPolarHBondContact CB-O 3.41Å; H125-D144 PolarHBondContact O-N 2.7Å; H125-I145 HydrophobicContact CB-CG2 3.68Å; H125-Q148 PolarHBondContact CD2-OE1 2.82Å; H125-Q148 PolarHBondContact CE1-NE2 3.17Å; H125-Q148 PolarHBondContact NE2-NE2 3.39Å; H125-Q148 PolarHBondContact NE2-OE1 3.35Å
126T89.6Confident78.1Confident53 Ų5375.8 Ų75.833%0.32545%0.45SS..EExtended strand (participates in β ladder)trans-130.6127.3-178.4-54.60000109.4M141 V142 Y143T126-M141 HydrophobicContact CG2-CG 3.5Å; T126-M141 VanDerWaalsContact CG2-CG 3.5Å; T126-M141 HydrophobicContact CG2-SD 3.91Å; T126-V142 CarbonylContact C-O 3.58Å; T126-V142 WeakPolarHBondContact CA-O 3.42Å; T126-Y143 HydrophobicContact CG2-CD1 4.02Å; T126-Y143 HydrophobicContact CG2-CE1 3.91Å
127Y91.4Very high79.9Confident11 Ų1174.8 Ų74.84%0.04344%0.44CS..EExtended strand (participates in β ladder)trans-122.5116.3-176.6-56.6-90.5000109.5A108 R109 V114 A123 G124 V142 D144A108-Y127 HydrophobicContact CB-CD2 3.49Å; A108-Y127 VanDerWaalsContact CB-CD2 3.49Å; A108-Y127 HydrophobicContact CB-CE2 3.46Å; A108-Y127 VanDerWaalsContact CB-CE2 3.46Å; A108-Y127 HydrophobicContact CB-CG 4.29Å; R109-Y127 HydrophobicContact CG-CE1 3.84Å; R109-Y127 WeakPolarHBondContact CG-OH 3.38Å; V114-Y127 HydrophobicContact CG2-CD1 4.05Å; V114-Y127 HydrophobicContact CG2-CE1 4.14Å; A123-Y127 HydrophobicContact CB-CE1 4.42Å; G124-Y127 PolarHBondContact O-OH 3.11Å; Y127-V142 PolarHBondContact N-O 3.09Å; Y127-V142 PolarHBondContact O-N 3.39Å; Y127-D144 HydrophobicContact CE2-CB 4.19Å
128D90.6Very high81.5Confident84 Ų8473.3 Ų73.345%0.44942%0.424SS..EExtended strand (participates in β ladder)trans-98132.7175.5-178.9-72.7000110.2L140D128-L140 WeakPolarHBondContact CA-O 3.48Å
129R91.6Very high83.4Confident108 Ų10868.4 Ų68.441%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-156.4137.9168.2-167.1171.1-168.51738.5112.2F111 L140F111-R129 HydrophobicContact CD1-CB 4.37Å; F111-R129 HydrophobicContact CE1-CB 3.6Å; F111-R129 HydrophobicContact CE2-CB 4.39Å; F111-R129 HydrophobicContact CZ-CB 3.6Å; F111-R129 HydrophobicContact CZ-CG 4.42Å; F111-R129 WeakPolarHBondContact O-CD 3.35Å; F111-R129 PolarHBondContact O-NH1 3.16Å; R129-L140 PolarHBondContact N-O 3.26Å; R129-L140 PolarHBondContact O-N 2.93Å
130S93.7Very high85.3Confident50 Ų5063.2 Ų63.235%0.3537%0.369SS..EExtended strand (participates in β ladder)trans-84.5134.6165.8-63.70000112E137 A138 S139S130-E137 WeakPolarHBondContact CB-OE1 3.42Å; S130-E137 PolarHBondContact OG-OE1 3.07Å; S130-A138 WeakPolarHBondContact CA-O 3.15Å; S130-S139 PolarHBondContact OG-OG 3.02Å
131I94.3Very high87.2Confident32 Ų3263.4 Ų63.416%0.16437%0.365CS..EExtended strand (participates in β ladder)trans-130148.6174.359169.2000110.3F111 V133 E137 A138 L140 F244 E245 V248F111-I131 HydrophobicContact CE2-CD1 4.48Å; F111-I131 HydrophobicContact CE2-CG2 3.94Å; F111-I131 HydrophobicContact CZ-CG2 4.4Å; I131-V133 HydrophobicContact CD1-CG2 3.73Å; I131-V133 HydrophobicContact CG1-CG2 3.91Å; I131-E137 CarbonylContact O-C 3.57Å; I131-A138 PolarHBondContact N-O 3.1Å; I131-A138 PolarHBondContact O-N 3.09Å; I131-L140 HydrophobicContact CD1-CD1 3.93Å; I131-L140 HydrophobicContact CG1-CD1 4.47Å; I131-F244 HydrophobicContact CD1-CB 4.24Å; I131-E245 HydrophobicContact CD1-CG 4.44Å; I131-V248 HydrophobicContact CD1-CG2 3.95Å; I131-V248 HydrophobicContact CG1-CG2 4.36Å
132V95.1Very high89.1Confident97 Ų9754.8 Ų54.859%0.58833%0.325SS*.EExtended strand (participates in β ladder)trans-93.5120.3174.2-179.80000108.8
133V95.8Very high90.8Very high1 Ų151.7 Ų51.71%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-125.1121.7179.7-174.10000108.5I131 G135 E136 E245 V248 R249 R252I131-V133 HydrophobicContact CD1-CG2 3.73Å; I131-V133 HydrophobicContact CG1-CG2 3.91Å; V133-G135 PolarHBondContact O-N 3.02Å; V133-E136 PolarHBondContact N-O 2.92Å; V133-E136 PolarHBondContact O-N 3Å; V133-E136 VanDerWaalsContact O-N 3.09Å; V133-E136 VanDerWaalsContact O-O 3.1Å; V133-E245 HydrophobicContact CG1-CB 4.31Å; V133-E245 HydrophobicContact CG2-CB 4.18Å; V133-E245 HydrophobicContact CG2-CG 4.09Å; V133-V248 HydrophobicContact CB-CB 4.3Å; V133-V248 HydrophobicContact CB-CG1 3.88Å; V133-V248 HydrophobicContact CG1-CB 4.31Å; V133-V248 HydrophobicContact CG1-CG1 4.13Å; V133-V248 HydrophobicContact CG2-CB 3.9Å; V133-V248 HydrophobicContact CG2-CG1 3.91Å; V133-V248 HydrophobicContact CG2-CG2 4.06Å; V133-R249 HydrophobicContact CG1-CG 3.7Å; V133-R252 PolarHBondContact O-NH1 2.93Å
134D94.8Very high92.4Very high113 Ų11350.2 Ų50.260%0.60428%0.282SS*.THydrogen-bonded Turntrans54.435178.8-50.8-25.8000113.3R249D134-R249 IonicContact OD1-CZ 3.83Å; D134-R249 IonicContact OD1-NE 3.09Å; D134-R249 PolarHBondContact OD1-NE 2.86Å; D134-R249 VanDerWaalsContact OD1-NE 3.1Å; D134-R249 IonicContact OD1-NH2 3.57Å; D134-R249 PolarHBondContact OD1-NH2 3.28Å; D134-R249 WeakPolarHBondContact OD2-CG 3.26Å; D134-R249 IonicContact OD2-NE 3Å; D134-R249 PolarHBondContact OD2-NE 2.72Å; D134-R249 VanDerWaalsContact OD2-NE 3.09Å
135G93.1Very high92.8Very high71 Ų7149.8 Ų49.873%0.73227%0.272SS*.THydrogen-bonded Turntrans89.3-4.1178.200000115.3V133V133-G135 PolarHBondContact O-N 3.02Å
136E93.5Very high92.8Very high120 Ų12047.2 Ų47.256%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-118.6134-178.5-66.2175.5175.900111.1V133 R252V133-E136 PolarHBondContact N-O 2.92Å; V133-E136 PolarHBondContact O-N 3Å; V133-E136 VanDerWaalsContact O-N 3.09Å; V133-E136 VanDerWaalsContact O-O 3.1Å; E136-R252 VanDerWaalsContact CB-NH2 3.31Å; E136-R252 PolarHBondContact O-NH2 2.88Å; E136-R252 IonicContact OE2-CZ 3.49Å; E136-R252 IonicContact OE2-NE 3.35Å; E136-R252 IonicContact OE2-NH1 3.1Å; E136-R252 PolarHBondContact OE2-NH1 2.84Å; E136-R252 IonicContact OE2-NH2 2.73Å
137E94.4Very high91.8Very high136 Ų13649.2 Ų49.264%0.63627%0.265SS*.EExtended strand (participates in β ladder)trans-66.3143.6174.6-168.8167.2-171.200111.4S130 I131 R252S130-E137 WeakPolarHBondContact CB-OE1 3.42Å; S130-E137 PolarHBondContact OG-OE1 3.07Å; I131-E137 CarbonylContact O-C 3.57Å; E137-R252 PolarHBondContact O-NH2 3.39Å; E137-R252 VanDerWaalsContact O-NH2 3.08Å
138A94.6Very high90.6Very high5 Ų552.8 Ų52.84%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-142.3125.2174.700000109.5Y92 S130 I131 V248Y92-A138 HydrophobicContact CD2-CB 4.23Å; Y92-A138 HydrophobicContact CE2-CB 3.95Å; S130-A138 WeakPolarHBondContact CA-O 3.15Å; I131-A138 PolarHBondContact N-O 3.1Å; I131-A138 PolarHBondContact O-N 3.09Å; A138-V248 HydrophobicContact CB-CB 4.48Å; A138-V248 HydrophobicContact CB-CG1 3.69Å; A138-V248 HydrophobicContact CB-CG2 3.87Å
139S95.2Very high88.9Confident17 Ų1756.7 Ų56.712%0.11930%0.303CS..EExtended strand (participates in β ladder)trans-88.7126.9172.9-55.90000110.1V91 Y92 S130V91-S139 WeakPolarHBondContact CA-O 3.37Å; Y92-S139 PolarHBondContact N-O 3.01Å; S130-S139 PolarHBondContact OG-OG 3.02Å
140L95.9Very high87.2Confident0 Ų055.6 Ų55.60%033%0.325CS..EExtended strand (participates in β ladder)trans-111.4136.3174.3-59.8-175.5000110Y92 V94 F111 D128 R129 I131 V142 F244 V248Y92-L140 HydrophobicContact CD2-CD2 3.89Å; Y92-L140 HydrophobicContact CG-CD2 4.22Å; Y92-L140 WeakPolarHBondContact O-CA 3.5Å; V94-L140 HydrophobicContact CG2-CD2 4.05Å; F111-L140 HydrophobicContact CE1-CB 3.95Å; F111-L140 HydrophobicContact CE1-CD1 4.43Å; F111-L140 HydrophobicContact CE2-CD1 3.87Å; F111-L140 HydrophobicContact CZ-CB 3.65Å; F111-L140 HydrophobicContact CZ-CD1 3.61Å; F111-L140 HydrophobicContact CZ-CG 4.03Å; D128-L140 WeakPolarHBondContact CA-O 3.48Å; R129-L140 PolarHBondContact N-O 3.26Å; R129-L140 PolarHBondContact O-N 2.93Å; I131-L140 HydrophobicContact CD1-CD1 3.93Å; I131-L140 HydrophobicContact CG1-CD1 4.47Å; L140-V142 HydrophobicContact CB-CG2 4.43Å; L140-F244 HydrophobicContact CD1-CB 3.95Å; L140-F244 HydrophobicContact CD1-CD1 3.99Å; L140-F244 HydrophobicContact CD1-CG 4.4Å; L140-V248 HydrophobicContact CD1-CG2 4.09Å; L140-V248 HydrophobicContact CD2-CG2 3.66Å; L140-V248 HydrophobicContact CG-CG2 4.13Å
141M94.7Very high85.1Confident27 Ų2755.5 Ų55.513%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-110.6106.6165.4-174.3167.6-73.200108.9V42 V91 Y92 V94 T126 Y143V42-M141 HydrophobicContact CG2-CE 4.08Å; V91-M141 HydrophobicContact CG1-CB 3.64Å; Y92-M141 PolarHBondContact O-N 3.35Å; V94-M141 PolarHBondContact N-O 2.83Å; T126-M141 HydrophobicContact CG2-CG 3.5Å; T126-M141 VanDerWaalsContact CG2-CG 3.5Å; T126-M141 HydrophobicContact CG2-SD 3.91Å; M141-Y143 HydrophobicContact CB-CE2 4.29Å; M141-Y143 HydrophobicContact CG-CD2 4.46Å; M141-Y143 HydrophobicContact CG-CE1 4.26Å; M141-Y143 HydrophobicContact CG-CE2 3.77Å; M141-Y143 HydrophobicContact SD-CE1 4.16Å; M141-Y143 HydrophobicContact SD-CE2 4.22Å; M141-Y143 VanDerWaalsContact SD-CZ 3.58Å; M141-Y143 PolarHBondContact SD-OH 2.98Å
142V95.6Very high83Confident0 Ų063.8 Ų63.80%036%0.362CS..EExtended strand (participates in β ladder)trans-96.2121.5-176.8-179.40000110.1V94 L96 A108 F111 T126 Y127 L140 F244V94-V142 HydrophobicContact CB-CG2 4.26Å; V94-V142 CarbonylContact O-C 3.56Å; V94-V142 WeakPolarHBondContact O-CA 3.26Å; L96-V142 HydrophobicContact CD1-CG1 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.07Å; L96-V142 HydrophobicContact CG-CG1 3.84Å; A108-V142 HydrophobicContact CB-CG1 4.23Å; F111-V142 HydrophobicContact CD1-CB 4.23Å; F111-V142 HydrophobicContact CD1-CG2 3.45Å; F111-V142 VanDerWaalsContact CD1-CG2 3.45Å; F111-V142 HydrophobicContact CE1-CG2 3.51Å; F111-V142 HydrophobicContact CG-CG2 4.29Å; F111-V142 HydrophobicContact CZ-CG2 4.41Å; T126-V142 CarbonylContact C-O 3.58Å; T126-V142 WeakPolarHBondContact CA-O 3.42Å; Y127-V142 PolarHBondContact N-O 3.09Å; Y127-V142 PolarHBondContact O-N 3.39Å; L140-V142 HydrophobicContact CB-CG2 4.43Å; V142-F244 HydrophobicContact CG1-CE1 4.29Å; V142-F244 HydrophobicContact CG2-CD1 4.22Å; V142-F244 HydrophobicContact CG2-CE1 3.7Å
143Y93.5Very high81.1Confident22 Ų2264.2 Ų64.29%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-103.7120.9179.4-59.8-90.7000111.2K93 V94 L95 L96 T126 M141 M161K93-Y143 HydrophobicContact CB-CE2 3.86Å; K93-Y143 HydrophobicContact CD-CE2 4.41Å; K93-Y143 HydrophobicContact CG-CE2 3.96Å; V94-Y143 PolarHBondContact O-N 3.3Å; L95-Y143 HydrophobicContact CD1-CD2 4.3Å; L95-Y143 HydrophobicContact CG-CD2 4.34Å; L96-Y143 PolarHBondContact N-O 3.19Å; L96-Y143 VanDerWaalsContact N-O 3.07Å; T126-Y143 HydrophobicContact CG2-CD1 4.02Å; T126-Y143 HydrophobicContact CG2-CE1 3.91Å; M141-Y143 HydrophobicContact CB-CE2 4.29Å; M141-Y143 HydrophobicContact CG-CD2 4.46Å; M141-Y143 HydrophobicContact CG-CE1 4.26Å; M141-Y143 HydrophobicContact CG-CE2 3.77Å; M141-Y143 HydrophobicContact SD-CE1 4.16Å; M141-Y143 HydrophobicContact SD-CE2 4.22Å; M141-Y143 VanDerWaalsContact SD-CZ 3.58Å; M141-Y143 PolarHBondContact SD-OH 2.98Å; Y143-M161 HydrophobicContact CE1-SD 4.4Å; Y143-M161 HydrophobicContact CE2-SD 4.33Å
144D91.8Very high79.5Confident8 Ų870.5 Ų70.54%0.04339%0.386CS..  trans-107.256.4173.8-176.642.6000110.8K104 S105 A108 H125 Y127K104-D144 VanDerWaalsContact CB-OD1 3.28Å; K104-D144 WeakPolarHBondContact CB-OD1 3.39Å; S105-D144 WeakPolarHBondContact CA-OD2 3.28Å; S105-D144 WeakPolarHBondContact CB-OD2 3.3Å; S105-D144 PolarHBondContact N-OD1 3.48Å; S105-D144 PolarHBondContact OG-OD2 2.76Å; A108-D144 HydrophobicContact CB-CB 4.11Å; H125-D144 WeakPolarHBondContact CB-O 3.41Å; H125-D144 PolarHBondContact O-N 2.7Å; Y127-D144 HydrophobicContact CE2-CB 4.19Å
145I85.1Confident78.2Confident21 Ų2168.7 Ų68.711%0.10838%0.38CS..  trans-107.92.3-174.361.7175.9000113.5H125 W153H125-I145 HydrophobicContact CB-CG2 3.68Å; I145-W153 HydrophobicContact CD1-CD2 4.36Å; I145-W153 HydrophobicContact CD1-CG 4.48Å
146W84.6Confident77Confident16 Ų1667.7 Ų67.76%0.06137%0.37CS..THydrogen-bonded Turntrans-80.5124.7-174.8178.8-92.3000112.8L96 L97 G98 K104 Q148 P155 M159 L183L96-W146 WeakPolarHBondContact O-CB 3.38Å; L97-W146 HydrophobicContact CB-CG 4.44Å; L97-W146 HydrophobicContact CD2-CB 4.05Å; L97-W146 HydrophobicContact CD2-CD2 3.7Å; L97-W146 HydrophobicContact CD2-CE3 3.5Å; L97-W146 HydrophobicContact CD2-CG 3.92Å; L97-W146 HydrophobicContact CD2-CZ3 4.28Å; G98-W146 PolarHBondContact O-NE1 3.29Å; K104-W146 WeakPolarHBondContact CE-O 3.48Å; W146-Q148 PolarHBondContact O-N 2.82Å; W146-P155 HydrophobicContact CH2-CB 4.08Å; W146-P155 HydrophobicContact CZ3-CB 3.95Å; W146-M159 HydrophobicContact CH2-CE 4.05Å; W146-M159 HydrophobicContact CZ3-CE 4.25Å; W146-L183 HydrophobicContact CH2-CD2 3.82Å; W146-L183 HydrophobicContact CZ2-CD2 3.27Å
147E69.5Low75.8Confident94 Ų9465.4 Ų65.444%0.43936%0.359SS..THydrogen-bonded Turntrans51.143.2178.2-76.2178.2166.300112.9
148Q64.7Low74.8Confident86 Ų8659.1 Ų59.140%0.40233%0.33SS..  trans-83.5137.4170.8-159.9-168.26.200110.8H125 W146 G150 G151H125-Q148 PolarHBondContact CD2-OE1 2.82Å; H125-Q148 PolarHBondContact CE1-NE2 3.17Å; H125-Q148 PolarHBondContact NE2-NE2 3.39Å; H125-Q148 PolarHBondContact NE2-OE1 3.35Å; W146-Q148 PolarHBondContact O-N 2.82Å; Q148-G150 PolarHBondContact O-N 3.36Å; Q148-G151 PolarHBondContact O-N 2.93Å
149D56.2Low73.9Confident167 Ų16759.4 Ų59.489%0.89333%0.331SS*.THydrogen-bonded Turntrans-54.8121.4175.8-70.2-39.6000110.9
150G54.5Low73.1Confident84 Ų8461.4 Ų61.487%0.86635%0.348SS*.THydrogen-bonded Turntrans89.48.1-177.600000116Q148 R152Q148-G150 PolarHBondContact O-N 3.36Å; G150-R152 PolarHBondContact O-N 3.47Å; G150-R152 VanDerWaalsContact O-N 3.15Å
151G50.1Low72.5Confident49 Ų4963.2 Ų63.251%0.50536%0.357SS..  trans-56.2110.9-172.800000116.2Q148 W153Q148-G151 PolarHBondContact O-N 2.93Å; G151-W153 PolarHBondContact O-N 2.99Å
152R50.4Low72.2Confident205 Ų20562 Ų6277%0.77435%0.352SS*.  trans-70.1-4170.6-156.8176.2176.3-1471.9113.6G150G150-R152 PolarHBondContact O-N 3.47Å; G150-R152 VanDerWaalsContact O-N 3.15Å
153W55.5Low72.1Confident106 Ų10664.5 Ų64.540%0.40237%0.365SS..SBendtrans-99.8121.5-174-64.590.1000111.4L47 I145 G151 H157 M161L47-W153 HydrophobicContact CD2-CH2 4.16Å; I145-W153 HydrophobicContact CD1-CD2 4.36Å; I145-W153 HydrophobicContact CD1-CG 4.48Å; G151-W153 PolarHBondContact O-N 2.99Å; W153-H157 AromaticContact CE3-CD2 3.65Å; W153-H157 AromaticContact CZ3-CD2 3.56Å; W153-H157 AromaticContact CZ3-NE2 3.75Å; W153-M161 HydrophobicContact CE3-CE 4.34Å; W153-M161 HydrophobicContact CZ3-CE 3.83Å
154L61.4Low72.2Confident134 Ų13463.5 Ų63.570%0.70236%0.361SS*.  trans-70.8132.3177.7-65171.1000109.5G156 H157 C158L154-G156 PolarHBondContact O-N 3.05Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.48Å; L154-C158 PolarHBondContact O-N 2.96Å
155P68.1Low72.4Confident74 Ų7463.1 Ų63.148%0.48136%0.359SS..Hα-helixtrans-48.2-35.1177-3236.1000114.1W146 H157 C158 M159W146-P155 HydrophobicContact CH2-CB 4.08Å; W146-P155 HydrophobicContact CZ3-CB 3.95Å; P155-H157 VanDerWaalsContact C-N 3.33Å; P155-H157 PolarHBondContact O-N 3.22Å; P155-C158 PolarHBondContact O-N 3.48Å; P155-M159 VanDerWaalsContact O-CG 3.3Å; P155-M159 WeakPolarHBondContact O-CG 3.23Å; P155-M159 PolarHBondContact O-N 3.42Å; P155-M159 VanDerWaalsContact O-N 3.1Å
156G66.9Low73.1Confident50 Ų5062.1 Ų62.152%0.51535%0.354SS..Hα-helixtrans-64-32175.700000114.4L154 A160L154-G156 PolarHBondContact O-N 3.05Å; G156-A160 PolarHBondContact O-N 3.31Å
157H70.1Confident73.7Confident72 Ų7261.4 Ų61.433%0.33335%0.352SS..Hα-helixtrans-72.9-44.1177.6-165.282.8000111.3W153 L154 P155 M159 A160 M161W153-H157 AromaticContact CE3-CD2 3.65Å; W153-H157 AromaticContact CZ3-CD2 3.56Å; W153-H157 AromaticContact CZ3-NE2 3.75Å; L154-H157 WeakPolarHBondContact O-CB 3.41Å; L154-H157 PolarHBondContact O-N 3.48Å; P155-H157 VanDerWaalsContact C-N 3.33Å; P155-H157 PolarHBondContact O-N 3.22Å; H157-M159 VanDerWaalsContact C-N 3.29Å; H157-M159 PolarHBondContact O-N 3.48Å; H157-A160 PolarHBondContact O-N 3.19Å; H157-M161 WeakPolarHBondContact CD2-CE 3.22Å; H157-M161 WeakPolarHBondContact NE2-CE 3.25Å; H157-M161 PolarHBondContact O-N 3Å; H157-M161 VanDerWaalsContact O-N 3.16Å
158C71.6Confident75.1Confident4 Ų457 Ų573%0.02733%0.331CS..Hα-helixtrans-58.3-43.7174-60.50000111L95 L154 P155 A160 M161 Y165L95-C158 HydrophobicContact CD2-CB 3.67Å; L95-C158 WeakPolarHBondContact CD2-O 3.38Å; L154-C158 PolarHBondContact O-N 2.96Å; P155-C158 PolarHBondContact O-N 3.48Å; C158-A160 PolarHBondContact O-N 3.35Å; C158-M161 PolarHBondContact O-N 3Å; C158-Y165 WeakPolarHBondContact O-CE1 3.48Å; C158-Y165 PolarHBondContact O-OH 2.93Å
159M76.1Confident76.7Confident12 Ų1252.9 Ų52.96%0.05931%0.311CS..Hα-helixtrans-65.6-17.1177.5-70.1179.8-179.200114.5W146 P155 H157 Y165 Q186 L187 A190 R191W146-M159 HydrophobicContact CH2-CE 4.05Å; W146-M159 HydrophobicContact CZ3-CE 4.25Å; P155-M159 VanDerWaalsContact O-CG 3.3Å; P155-M159 WeakPolarHBondContact O-CG 3.23Å; P155-M159 PolarHBondContact O-N 3.42Å; P155-M159 VanDerWaalsContact O-N 3.1Å; H157-M159 VanDerWaalsContact C-N 3.29Å; H157-M159 PolarHBondContact O-N 3.48Å; M159-Y165 PolarHBondContact O-OH 2.82Å; M159-Q186 HydrophobicContact CE-CB 3.68Å; M159-Q186 HydrophobicContact SD-CB 4.33Å; M159-L187 HydrophobicContact CB-CD1 4.01Å; M159-L187 HydrophobicContact CG-CD1 4.05Å; M159-A190 HydrophobicContact CB-CB 3.84Å; M159-A190 HydrophobicContact CG-CB 4.49Å; M159-A190 HydrophobicContact SD-CB 4Å; M159-R191 WeakPolarHBondContact O-CD 3.4Å; M159-R191 WeakPolarHBondContact O-CG 3.5Å; M159-R191 PolarHBondContact O-NH1 3.27Å; M159-R191 VanDerWaalsContact O-NH1 3.08Å
160A78.1Confident78.7Confident59 Ų5945 Ų4549%0.48827%0.269SS..Hα-helixtrans-98.7-21.5179.800000114.6G156 H157 C158 R191G156-A160 PolarHBondContact O-N 3.31Å; H157-A160 PolarHBondContact O-N 3.19Å; C158-A160 PolarHBondContact O-N 3.35Å; A160-R191 PolarHBondContact O-NH1 3.21Å
161M83.1Confident80.9Confident37 Ų3741 Ų4118%0.18223%0.228CC..Hα-helixtrans-84.6-26.4-167.1-167.2-164.2-54.700115.2K93 L95 Y143 W153 H157 C158 Y165K93-M161 HydrophobicContact CD-CG 4.3Å; L95-M161 HydrophobicContact CD1-CB 4.42Å; Y143-M161 HydrophobicContact CE1-SD 4.4Å; Y143-M161 HydrophobicContact CE2-SD 4.33Å; W153-M161 HydrophobicContact CE3-CE 4.34Å; W153-M161 HydrophobicContact CZ3-CE 3.83Å; H157-M161 WeakPolarHBondContact CD2-CE 3.22Å; H157-M161 WeakPolarHBondContact NE2-CE 3.25Å; H157-M161 PolarHBondContact O-N 3Å; H157-M161 VanDerWaalsContact O-N 3.16Å; C158-M161 PolarHBondContact O-N 3Å; M161-Y165 PolarHBondContact N-OH 3.06Å
162G88.4Confident83.2Confident2 Ų239.9 Ų39.92%0.02121%0.212CC..  trans-81.6138.3-166.400000114.5A164 Y165 R191G162-A164 VanDerWaalsContact C-N 3.31Å; G162-Y165 WeakPolarHBondContact CA-OH 3.36Å; G162-Y165 PolarHBondContact N-OH 3.31Å; G162-R191 PolarHBondContact O-NH1 2.74Å
163D93.6Very high85.5Confident53 Ų5333.2 Ų33.228%0.28319%0.192SC..SBendtrans-77.6-21.4161.9-63.5-59.7000111.5K93 V196 P197 I251K93-D163 PolarHBondContact N-OD2 2.9Å; K93-D163 PolarHBondContact O-N 3.44Å; D163-V196 WeakPolarHBondContact O-CG1 3.34Å; D163-P197 WeakPolarHBondContact O-CD 3.4Å; D163-P197 VanDerWaalsContact O-CG 3.3Å; D163-P197 WeakPolarHBondContact O-CG 3.39Å; D163-I251 HydrophobicContact CB-CD1 4.3Å
164A96.1Very high87.5Confident0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-150.4155.217100000112K93 V94 L95 G162 P197 V247 I251K93-A164 PolarHBondContact O-N 2.71Å; K93-A164 VanDerWaalsContact O-N 3.12Å; V94-A164 HydrophobicContact CG1-CB 4.48Å; V94-A164 HydrophobicContact CG2-CB 4.39Å; L95-A164 PolarHBondContact N-O 3.43Å; G162-A164 VanDerWaalsContact C-N 3.31Å; A164-P197 WeakPolarHBondContact CA-O 3.27Å; A164-P197 HydrophobicContact CB-CG 3.73Å; A164-V247 HydrophobicContact CB-CG1 3.58Å; A164-I251 HydrophobicContact CB-CD1 3.85Å; A164-I251 HydrophobicContact CB-CG1 4Å
165Y97.1Very high89.3Confident0 Ų028.6 Ų28.60%018%0.18CC..EExtended strand (participates in β ladder)trans-125.4132.6176.1-67.1-85.9000111.4L95 L97 C158 M159 M161 G162 L187 R191 V196 P197 I198 I199L95-Y165 HydrophobicContact CB-CD1 3.84Å; L95-Y165 HydrophobicContact CB-CE1 3.85Å; L95-Y165 HydrophobicContact CD1-CE1 4.16Å; L95-Y165 HydrophobicContact CD2-CE1 4.24Å; L95-Y165 HydrophobicContact CG-CE1 4.31Å; L97-Y165 HydrophobicContact CD1-CD1 3.76Å; L97-Y165 HydrophobicContact CD1-CE1 4.45Å; L97-Y165 HydrophobicContact CG-CD1 4.24Å; C158-Y165 WeakPolarHBondContact O-CE1 3.48Å; C158-Y165 PolarHBondContact O-OH 2.93Å; M159-Y165 PolarHBondContact O-OH 2.82Å; M161-Y165 PolarHBondContact N-OH 3.06Å; G162-Y165 WeakPolarHBondContact CA-OH 3.36Å; G162-Y165 PolarHBondContact N-OH 3.31Å; Y165-L187 HydrophobicContact CD1-CD1 4.08Å; Y165-L187 HydrophobicContact CD1-CD2 3.97Å; Y165-L187 HydrophobicContact CD2-CD1 4Å; Y165-L187 HydrophobicContact CD2-CD2 3.66Å; Y165-L187 HydrophobicContact CD2-CG 4.37Å; Y165-L187 HydrophobicContact CE1-CD1 3.9Å; Y165-L187 HydrophobicContact CE2-CD1 3.83Å; Y165-L187 HydrophobicContact CE2-CD2 4.35Å; Y165-L187 HydrophobicContact CG-CD1 4.14Å; Y165-L187 HydrophobicContact CG-CD2 3.45Å; Y165-L187 VanDerWaalsContact CG-CD2 3.45Å; Y165-L187 HydrophobicContact CG-CG 4.44Å; Y165-R191 PolarHBondContact OH-NH1 3.17Å; Y165-R191 VanDerWaalsContact OH-NH1 3.08Å; Y165-V196 HydrophobicContact CD2-CG1 3.7Å; Y165-V196 HydrophobicContact CE2-CG1 3.82Å; Y165-P197 PolarHBondContact N-O 2.99Å; Y165-I198 WeakPolarHBondContact O-CA 3.48Å; Y165-I199 PolarHBondContact O-N 3.05Å
166V98.3Very high90.7Very high0 Ų025.1 Ų25.10%016%0.158CC..EExtended strand (participates in β ladder)trans-113.7111.9173.5-178.60000107.6V94 L95 L96 L97 V168 I199 V201 L243 V247V94-V166 HydrophobicContact CG1-CG2 3.83Å; L95-V166 PolarHBondContact O-N 2.77Å; L96-V166 WeakPolarHBondContact CA-O 3.44Å; L96-V166 HydrophobicContact CD2-CB 3.68Å; L96-V166 HydrophobicContact CD2-CG1 4.11Å; L96-V166 HydrophobicContact CD2-CG2 4.14Å; L97-V166 PolarHBondContact N-O 3.02Å; V166-V168 HydrophobicContact CG1-CG2 3.9Å; V166-I199 CarbonylContact C-O 3.6Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; V166-V201 HydrophobicContact CG1-CB 4.33Å; V166-V201 HydrophobicContact CG1-CG2 3.44Å; V166-V201 VanDerWaalsContact CG1-CG2 3.44Å; V166-L243 HydrophobicContact CG1-CD1 4.15Å; V166-L243 HydrophobicContact CG1-CD2 4.26Å; V166-L243 HydrophobicContact CG2-CD1 4.43Å; V166-V247 HydrophobicContact CG2-CG2 3.9Å
167I98.1Very high92.2Very high2 Ų224 Ų241%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-98.7112.6178.8-53.3179.2000107.8L97 A180 L183 R184 I198 I199 L200 V201L97-I167 HydrophobicContact CB-CG1 4.37Å; L97-I167 HydrophobicContact CD1-CG1 4.36Å; L97-I167 WeakPolarHBondContact O-CA 3.38Å; I167-A180 HydrophobicContact CG2-CB 3.58Å; I167-L183 HydrophobicContact CG2-CB 4.39Å; I167-L183 HydrophobicContact CG2-CD1 4.46Å; I167-R184 HydrophobicContact CD1-CB 3.75Å; I167-I198 HydrophobicContact CD1-CG2 3.77Å; I167-I198 HydrophobicContact CG1-CG2 4.08Å; I167-I199 PolarHBondContact N-O 3.19Å; I167-L200 HydrophobicContact CB-CD1 4.35Å; I167-L200 HydrophobicContact CG2-CD1 4.36Å; I167-L200 WeakPolarHBondContact O-CA 3.48Å; I167-V201 PolarHBondContact O-N 3.12Å
168V98.7Very high93.6Very high0 Ų025.7 Ų25.70%015%0.147CC..EExtended strand (participates in β ladder)trans-103.5133.2-173.3-169.20000110.1L97 G98 V102 K104 L107 V166 V201 N203L97-V168 PolarHBondContact O-N 3.32Å; G98-V168 WeakPolarHBondContact CA-O 3.47Å; V102-V168 HydrophobicContact CB-CG1 4.33Å; V102-V168 HydrophobicContact CG2-CB 3.95Å; V102-V168 HydrophobicContact CG2-CG1 3.88Å; K104-V168 HydrophobicContact CG-CB 4.27Å; K104-V168 HydrophobicContact CG-CG2 4.37Å; L107-V168 HydrophobicContact CD1-CG1 4.04Å; L107-V168 HydrophobicContact CD1-CG2 4.08Å; V166-V168 HydrophobicContact CG1-CG2 3.9Å; V168-V201 WeakPolarHBondContact CA-O 3.43Å; V168-V201 HydrophobicContact CG1-CG1 4.44Å; V168-V201 HydrophobicContact CG2-CB 4.33Å; V168-N203 HydrophobicContact CG1-CB 3.81Å
169Y98.9Very high94.8Very high0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-127.5165.8165.872.1-84.8000110V171 F177 A180 L200 V201 G202 N203 V213 F229Y169-V171 HydrophobicContact CE2-CG1 4.24Å; Y169-F177 AromaticContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD2-CB 3.75Å; Y169-F177 AromaticContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CG 4.19Å; Y169-F177 AromaticContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CE2 4.11Å; Y169-F177 HydrophobicContact CE2-CB 4.25Å; Y169-F177 AromaticContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CE2 4.35Å; Y169-F177 HydrophobicContact CE2-CG 4.26Å; Y169-F177 HydrophobicContact CG-CB 4.14Å; Y169-F177 AromaticContact CG-CD2 3.89Å; Y169-F177 HydrophobicContact CG-CD2 3.89Å; Y169-F177 AromaticContact CZ-CD2 3.64Å; Y169-F177 AromaticContact CZ-CE2 3.98Å; Y169-A180 HydrophobicContact CD1-CB 4.49Å; Y169-L200 HydrophobicContact CD1-CD1 3.89Å; Y169-L200 HydrophobicContact CD1-CG 4.25Å; Y169-L200 HydrophobicContact CE1-CD1 4.07Å; Y169-L200 HydrophobicContact CE1-CD2 4.25Å; Y169-L200 HydrophobicContact CE1-CG 3.93Å; Y169-V201 WeakPolarHBondContact CD1-O 3.33Å; Y169-V201 PolarHBondContact N-O 2.78Å; Y169-G202 VanDerWaalsContact CE1-CA 3.48Å; Y169-G202 VanDerWaalsContact CZ-CA 3.44Å; Y169-N203 WeakPolarHBondContact O-CB 3.39Å; Y169-N203 PolarHBondContact O-N 3.24Å; Y169-V213 HydrophobicContact CE2-CB 4.08Å; Y169-V213 HydrophobicContact CE2-CG1 3.87Å; Y169-V213 HydrophobicContact CE2-CG2 4.42Å; Y169-F229 HydrophobicContact CE1-CE2 4.25Å; Y169-F229 WeakPolarHBondContact OH-CE2 3.24Å
170S98.8Very high95.8Very high1 Ų127.9 Ų27.91%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-96.6129.4172.8-173.90000109.4T172 D173 S176 K204S170-T172 PolarHBondContact O-N 3.43Å; S170-T172 PolarHBondContact OG-OG1 3.49Å; S170-D173 PolarHBondContact O-N 2.86Å; S170-S176 PolarHBondContact N-OG 3.4Å; S170-S176 PolarHBondContact O-OG 2.93Å; S170-K204 VanDerWaalsContact OG-CD 3.25Å; S170-K204 WeakPolarHBondContact OG-CD 3.43Å; S170-K204 WeakPolarHBondContact OG-CE 3.4Å
171V98.8Very high96.7Very high0 Ų026.3 Ų26.30%014%0.141CC..THydrogen-bonded Turntrans-63.2-14.2176.4-56.60000113Y169 N203 K204 R211 E212 V213Y169-V171 HydrophobicContact CE2-CG1 4.24Å; V171-N203 PolarHBondContact N-O 3.27Å; V171-K204 VanDerWaalsContact CG2-O 3.22Å; V171-K204 WeakPolarHBondContact CG2-O 3.17Å; V171-R211 HydrophobicContact CB-CG 4.45Å; V171-E212 PolarHBondContact O-N 2.81Å; V171-V213 PolarHBondContact O-N 3.48Å
172T98.7Very high97.3Very high27 Ų2729.2 Ų29.217%0.16615%0.154CC..THydrogen-bonded Turntrans-97.57.9178.571.40000114S170 L207 S210S170-T172 PolarHBondContact O-N 3.43Å; S170-T172 PolarHBondContact OG-OG1 3.49Å; T172-L207 HydrophobicContact CG2-CB 3.48Å; T172-L207 VanDerWaalsContact CG2-CB 3.48Å; T172-L207 HydrophobicContact CG2-CD1 3.81Å; T172-L207 HydrophobicContact CG2-CG 4.27Å; T172-S210 VanDerWaalsContact CA-O 3.25Å; T172-S210 WeakPolarHBondContact CA-O 3.33Å; T172-S210 VanDerWaalsContact CB-O 3.26Å; T172-S210 WeakPolarHBondContact CB-O 3.47Å; T172-S210 WeakPolarHBondContact CG2-O 3.39Å
173D98.6Very high97.5Very high65 Ų6529.1 Ų29.135%0.34815%0.153SC..  trans-143.8101.3-178.5173.3-0.1000108.8S170 G175 S176 F177 E212S170-D173 PolarHBondContact O-N 2.86Å; D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 WeakPolarHBondContact OD1-CA 3.3Å; D173-G175 PolarHBondContact OD1-N 3.3Å; D173-S176 PolarHBondContact O-N 3.01Å; D173-S176 PolarHBondContact O-OG 2.97Å; D173-S176 PolarHBondContact OD1-N 3.16Å; D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; D173-F177 PolarHBondContact O-N 2.92Å; D173-E212 WeakPolarHBondContact CA-OE2 3.38Å
174K98.5Very high97.6Very high102 Ų10227.7 Ų27.744%0.44314%0.144SC..Hα-helixtrans-62.2-33.5178.6-174.4173.1177.6174.90112.8S176 F177 E178 E212 V213K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.39Å; K174-F177 WeakPolarHBondContact O-CB 3.2Å; K174-F177 PolarHBondContact O-N 3.22Å; K174-F177 VanDerWaalsContact O-N 3.12Å; K174-E178 PolarHBondContact O-N 3.11Å; K174-E212 HydrophobicContact CB-CB 4.3Å; K174-E212 PolarHBondContact N-OE2 3.04Å; K174-V213 HydrophobicContact CB-CG2 4.38Å
175G98.5Very high97.4Very high41 Ų4130 Ų3042%0.42316%0.158SC..Hα-helixtrans-62.9-38.6176.200000112D173 F177 E178 K179D173-G175 VanDerWaalsContact C-N 3.27Å; D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 WeakPolarHBondContact OD1-CA 3.3Å; D173-G175 PolarHBondContact OD1-N 3.3Å; G175-F177 VanDerWaalsContact C-N 3.27Å; G175-F177 PolarHBondContact O-N 3.48Å; G175-E178 PolarHBondContact O-N 2.8Å; G175-K179 WeakPolarHBondContact O-CB 3.48Å; G175-K179 PolarHBondContact O-N 3.39Å
176S98.5Very high97.1Very high1 Ų133.6 Ų33.61%0.00718%0.175CC..Hα-helixtrans-63.8-31.8174.279.10000113.4S170 D173 K174 A180S170-S176 PolarHBondContact N-OG 3.4Å; S170-S176 PolarHBondContact O-OG 2.93Å; D173-S176 PolarHBondContact O-N 3.01Å; D173-S176 PolarHBondContact O-OG 2.97Å; D173-S176 PolarHBondContact OD1-N 3.16Å; D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 3.39Å; S176-A180 PolarHBondContact O-N 2.91Å
177F98.7Very high96.8Very high26 Ų2633.8 Ų33.811%0.11418%0.176CC..Hα-helixtrans-73.6-41.4177.3176.3-112.2000112.5Y169 D173 K174 G175 K179 A180 S181 L200 V213 C221Y169-F177 AromaticContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD1-CD2 3.9Å; Y169-F177 HydrophobicContact CD2-CB 3.75Å; Y169-F177 AromaticContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CD2 3.75Å; Y169-F177 HydrophobicContact CD2-CG 4.19Å; Y169-F177 AromaticContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CD2 3.78Å; Y169-F177 HydrophobicContact CE1-CE2 4.11Å; Y169-F177 HydrophobicContact CE2-CB 4.25Å; Y169-F177 AromaticContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CD2 3.63Å; Y169-F177 HydrophobicContact CE2-CE2 4.35Å; Y169-F177 HydrophobicContact CE2-CG 4.26Å; Y169-F177 HydrophobicContact CG-CB 4.14Å; Y169-F177 AromaticContact CG-CD2 3.89Å; Y169-F177 HydrophobicContact CG-CD2 3.89Å; Y169-F177 AromaticContact CZ-CD2 3.64Å; Y169-F177 AromaticContact CZ-CE2 3.98Å; D173-F177 PolarHBondContact O-N 2.92Å; K174-F177 WeakPolarHBondContact O-CB 3.2Å; K174-F177 PolarHBondContact O-N 3.22Å; K174-F177 VanDerWaalsContact O-N 3.12Å; G175-F177 VanDerWaalsContact C-N 3.27Å; G175-F177 PolarHBondContact O-N 3.48Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.97Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.27Å; F177-S181 PolarHBondContact O-N 2.96Å; F177-S181 PolarHBondContact O-OG 3.12Å; F177-L200 HydrophobicContact CE2-CD2 4.43Å; F177-V213 HydrophobicContact CB-CG2 3.84Å; F177-V213 HydrophobicContact CD1-CG1 4.14Å; F177-V213 HydrophobicContact CD1-CG2 4.25Å; F177-V213 HydrophobicContact CD2-CG1 4.09Å; F177-V213 HydrophobicContact CE1-CG1 4.24Å; F177-V213 HydrophobicContact CE2-CG1 4.2Å; F177-V213 HydrophobicContact CG-CG1 4.03Å; F177-V213 HydrophobicContact CG-CG2 4.06Å; F177-V213 HydrophobicContact CZ-CG1 4.25Å; F177-C221 HydrophobicContact CE2-CB 3.97Å; F177-C221 HydrophobicContact CZ-CB 3.55Å
178E98.3Very high96.4Very high108 Ų10841.3 Ų41.351%0.50520%0.204SC..Hα-helixtrans-60.1-43.9171.3-69174.1-173.800110.2K174 G175 A180 S181 E182K174-E178 PolarHBondContact O-N 3.11Å; G175-E178 PolarHBondContact O-N 2.8Å; E178-A180 PolarHBondContact O-N 3.08Å; E178-S181 WeakPolarHBondContact O-CB 3.5Å; E178-S181 PolarHBondContact O-N 2.69Å; E178-S181 VanDerWaalsContact O-N 3.11Å; E178-E182 PolarHBondContact O-N 2.81Å; E178-E182 VanDerWaalsContact O-N 3.09Å
179K96.9Very high95.8Very high61 Ų6149.7 Ų49.727%0.26524%0.235SC..Hα-helixtrans-61-41.4175.8-170.858.6173.5-174.80113.1A99 G175 F177 S181 E182 L183A99-K179 HydrophobicContact CB-CB 4.45Å; A99-K179 HydrophobicContact CB-CG 4.29Å; G175-K179 WeakPolarHBondContact O-CB 3.48Å; G175-K179 PolarHBondContact O-N 3.39Å; F177-K179 VanDerWaalsContact C-N 3.29Å; F177-K179 PolarHBondContact O-N 2.97Å; K179-S181 PolarHBondContact O-N 2.82Å; K179-E182 VanDerWaalsContact CD-OE2 3.28Å; K179-E182 WeakPolarHBondContact CD-OE2 3.44Å; K179-E182 IonicContact NZ-OE2 3.42Å; K179-E182 PolarHBondContact NZ-OE2 3.17Å; K179-E182 WeakPolarHBondContact O-CB 3.36Å; K179-E182 PolarHBondContact O-N 2.94Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 3.31Å
180A97.3Very high95.2Very high1 Ų152.3 Ų52.31%0.00826%0.257CS..Hα-helixtrans-58.7-38.6175.500000112.1I167 Y169 S176 F177 E178 L183 R184 L200I167-A180 HydrophobicContact CG2-CB 3.58Å; Y169-A180 HydrophobicContact CD1-CB 4.49Å; S176-A180 PolarHBondContact O-N 2.91Å; F177-A180 WeakPolarHBondContact O-CB 3.42Å; F177-A180 PolarHBondContact O-N 3.27Å; E178-A180 PolarHBondContact O-N 3.08Å; A180-L183 PolarHBondContact O-N 3.01Å; A180-R184 WeakPolarHBondContact O-CB 3.42Å; A180-R184 PolarHBondContact O-N 3.29Å; A180-L200 HydrophobicContact CB-CD1 4Å
181S96.4Very high94.4Very high25 Ų2554.2 Ų54.218%0.17526%0.264CS..Hα-helixtrans-65.7-42.1175.8-56.80000111.9F177 E178 K179 R184 V185F177-S181 PolarHBondContact O-N 2.96Å; F177-S181 PolarHBondContact O-OG 3.12Å; E178-S181 WeakPolarHBondContact O-CB 3.5Å; E178-S181 PolarHBondContact O-N 2.69Å; E178-S181 VanDerWaalsContact O-N 3.11Å; K179-S181 PolarHBondContact O-N 2.82Å; S181-R184 WeakPolarHBondContact O-CB 3.34Å; S181-R184 PolarHBondContact O-N 2.75Å; S181-V185 WeakPolarHBondContact O-CG2 3.41Å; S181-V185 PolarHBondContact O-N 3.17Å
182E95.4Very high93.3Very high98 Ų9861.8 Ų61.846%0.45830%0.3SS..Hα-helixtrans-60-48173.2-65.1179.6175.500112E178 K179 R184 V185 Q186E178-E182 PolarHBondContact O-N 2.81Å; E178-E182 VanDerWaalsContact O-N 3.09Å; K179-E182 VanDerWaalsContact CD-OE2 3.28Å; K179-E182 WeakPolarHBondContact CD-OE2 3.44Å; K179-E182 IonicContact NZ-OE2 3.42Å; K179-E182 PolarHBondContact NZ-OE2 3.17Å; K179-E182 WeakPolarHBondContact O-CB 3.36Å; K179-E182 PolarHBondContact O-N 2.94Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 2.7Å; E182-V185 WeakPolarHBondContact O-CB 3.16Å; E182-V185 PolarHBondContact O-N 3.44Å; E182-V185 VanDerWaalsContact O-N 3.08Å; E182-Q186 WeakPolarHBondContact O-CG 3.49Å; E182-Q186 PolarHBondContact O-N 3.3Å
183L94.3Very high92Very high1 Ų166.7 Ų66.71%0.00533%0.33CS..Hα-helixtrans-59.4-39.8-179.7-70.9171.7000111.4L97 W146 I167 K179 A180 V185 Q186 L187L97-L183 HydrophobicContact CB-CD1 4.36Å; W146-L183 HydrophobicContact CH2-CD2 3.82Å; W146-L183 HydrophobicContact CZ2-CD2 3.27Å; I167-L183 HydrophobicContact CG2-CB 4.39Å; I167-L183 HydrophobicContact CG2-CD1 4.46Å; K179-L183 HydrophobicContact CG-CD1 4.32Å; K179-L183 WeakPolarHBondContact O-CG 3.47Å; K179-L183 PolarHBondContact O-N 3.31Å; A180-L183 PolarHBondContact O-N 3.01Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.03Å; L183-Q186 PolarHBondContact O-N 3.07Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.35Å
184R93.9Very high91Very high22 Ų2267 Ų678%0.08333%0.331CS..Hα-helixtrans-61.2-41.7175171.957-173.6110.8-9112.5I167 A180 S181 E182 R188 F225 C227I167-R184 HydrophobicContact CD1-CB 3.75Å; A180-R184 WeakPolarHBondContact O-CB 3.42Å; A180-R184 PolarHBondContact O-N 3.29Å; S181-R184 WeakPolarHBondContact O-CB 3.34Å; S181-R184 PolarHBondContact O-N 2.75Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 2.7Å; R184-R188 VanDerWaalsContact NH1-CB 3.28Å; R184-R188 PolarHBondContact O-N 2.82Å; R184-F225 HydrophobicContact CG-CB 3.64Å; R184-F225 HydrophobicContact CG-CD1 3.86Å; R184-F225 HydrophobicContact CG-CD2 4.39Å; R184-F225 HydrophobicContact CG-CG 3.72Å; R184-F225 PolarHBondContact NE-O 3.19Å; R184-F225 PolarHBondContact NH2-O 3.43Å; R184-C227 VanDerWaalsContact CD-SG 3.51Å; R184-C227 PolarHBondContact NE-SG 3.36Å
185V93.2Very high90.3Very high50 Ų5067.4 Ų67.430%0.30334%0.338SS..Hα-helixtrans-66.2-43.5175.9172.40000110.7S181 E182 L183 R188 R189 F225S181-V185 WeakPolarHBondContact O-CG2 3.41Å; S181-V185 PolarHBondContact O-N 3.17Å; E182-V185 WeakPolarHBondContact O-CB 3.16Å; E182-V185 PolarHBondContact O-N 3.44Å; E182-V185 VanDerWaalsContact O-N 3.08Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.03Å; V185-R188 WeakPolarHBondContact O-CB 3.23Å; V185-R188 PolarHBondContact O-N 3.33Å; V185-R189 WeakPolarHBondContact O-CG 3.33Å; V185-R189 PolarHBondContact O-N 2.96Å; V185-R189 VanDerWaalsContact O-N 3.12Å; V185-F225 HydrophobicContact CG2-CE1 3.79Å; V185-F225 HydrophobicContact CG2-CZ 4.43Å
186Q91.3Very high89.9Confident75 Ų7566.5 Ų66.535%0.3532%0.324SS..Hα-helixtrans-61.5-46.6176.8-68.31760.900111.6M159 E182 L183 R188 R189 A190M159-Q186 HydrophobicContact CE-CB 3.68Å; M159-Q186 HydrophobicContact SD-CB 4.33Å; E182-Q186 WeakPolarHBondContact O-CG 3.49Å; E182-Q186 PolarHBondContact O-N 3.3Å; L183-Q186 PolarHBondContact O-N 3.07Å; Q186-R188 VanDerWaalsContact C-N 3.31Å; Q186-R188 PolarHBondContact O-N 2.95Å; Q186-R189 WeakPolarHBondContact O-CB 3.44Å; Q186-R189 PolarHBondContact O-N 2.73Å; Q186-R189 VanDerWaalsContact O-N 3.07Å; Q186-A190 PolarHBondContact O-N 3.12Å
187L90.8Very high89.8Confident3 Ų366.6 Ų66.62%0.01633%0.325CS..Hα-helixtrans-60.3-41.5177.3-176.762.8000111.6L97 M159 Y165 L183 R189 A190 R191 I198L97-L187 HydrophobicContact CD1-CD2 4.42Å; M159-L187 HydrophobicContact CB-CD1 4.01Å; M159-L187 HydrophobicContact CG-CD1 4.05Å; Y165-L187 HydrophobicContact CD1-CD1 4.08Å; Y165-L187 HydrophobicContact CD1-CD2 3.97Å; Y165-L187 HydrophobicContact CD2-CD1 4Å; Y165-L187 HydrophobicContact CD2-CD2 3.66Å; Y165-L187 HydrophobicContact CD2-CG 4.37Å; Y165-L187 HydrophobicContact CE1-CD1 3.9Å; Y165-L187 HydrophobicContact CE2-CD1 3.83Å; Y165-L187 HydrophobicContact CE2-CD2 4.35Å; Y165-L187 HydrophobicContact CG-CD1 4.14Å; Y165-L187 HydrophobicContact CG-CD2 3.45Å; Y165-L187 VanDerWaalsContact CG-CD2 3.45Å; Y165-L187 HydrophobicContact CG-CG 4.44Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.35Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.35Å; L187-A190 PolarHBondContact O-N 2.73Å; L187-R191 HydrophobicContact CD1-CG 4.09Å; L187-R191 PolarHBondContact O-N 3.39Å; L187-I198 HydrophobicContact CD2-CD1 3.65Å; L187-I198 HydrophobicContact CD2-CG1 3.89Å; L187-I198 HydrophobicContact CG-CD1 4.34Å
188R89.1Confident89.7Confident161 Ų16166 Ų6661%0.60832%0.323SS*.Hα-helixtrans-57.9-41.5174.3-160173.7174.2170.6-1.4112.3R184 V185 Q186 R191 Q192R184-R188 VanDerWaalsContact NH1-CB 3.28Å; R184-R188 PolarHBondContact O-N 2.82Å; V185-R188 WeakPolarHBondContact O-CB 3.23Å; V185-R188 PolarHBondContact O-N 3.33Å; Q186-R188 VanDerWaalsContact C-N 3.31Å; Q186-R188 PolarHBondContact O-N 2.95Å; R188-R191 CarbonylContact O-C 3.58Å; R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.41Å
189R87.8Confident89.7Confident175 Ų17561.1 Ų61.166%0.6630%0.3SS*.Hα-helixtrans-70-36.1-179.7-69.9173.7-177.1-179.22.5111.7V185 Q186 L187 Q192V185-R189 WeakPolarHBondContact O-CG 3.33Å; V185-R189 PolarHBondContact O-N 2.96Å; V185-R189 VanDerWaalsContact O-N 3.12Å; Q186-R189 WeakPolarHBondContact O-CB 3.44Å; Q186-R189 PolarHBondContact O-N 2.73Å; Q186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.35Å; R189-Q192 WeakPolarHBondContact O-CG 3.49Å; R189-Q192 PolarHBondContact O-NE2 3.06Å
190A85.3Confident89.8Confident55 Ų5558.7 Ų58.746%0.45529%0.29SS..Hα-helixtrans-73.3-31.2177.100000112.9M159 Q186 L187M159-A190 HydrophobicContact CB-CB 3.84Å; M159-A190 HydrophobicContact CG-CB 4.49Å; M159-A190 HydrophobicContact SD-CB 4Å; Q186-A190 PolarHBondContact O-N 3.12Å; L187-A190 PolarHBondContact O-N 2.73Å
191R83.3Confident89.8Confident41 Ų4158.6 Ų58.616%0.15529%0.29CS..THydrogen-bonded Turntrans-120.549.3-172.9-58.3-61.4-72.8-762113.2M159 A160 G162 Y165 L187 R188 T193 D194M159-R191 WeakPolarHBondContact O-CD 3.4Å; M159-R191 WeakPolarHBondContact O-CG 3.5Å; M159-R191 PolarHBondContact O-NH1 3.27Å; M159-R191 VanDerWaalsContact O-NH1 3.08Å; A160-R191 PolarHBondContact O-NH1 3.21Å; G162-R191 PolarHBondContact O-NH1 2.74Å; Y165-R191 PolarHBondContact OH-NH1 3.17Å; Y165-R191 VanDerWaalsContact OH-NH1 3.08Å; L187-R191 HydrophobicContact CD1-CG 4.09Å; L187-R191 PolarHBondContact O-N 3.39Å; R188-R191 CarbonylContact O-C 3.58Å; R191-T193 VanDerWaalsContact C-N 3.25Å; R191-T193 PolarHBondContact O-N 2.82Å; R191-D194 HydrophobicContact CB-CB 4.4Å; R191-D194 IonicContact CZ-OD2 2.79Å; R191-D194 IonicContact NE-OD2 2.93Å; R191-D194 PolarHBondContact NE-OD2 2.97Å; R191-D194 IonicContact NH2-OD2 2.71Å; R191-D194 PolarHBondContact NH2-OD2 2.79Å; R191-D194 PolarHBondContact O-N 2.85Å
192Q74Confident90Very high160 Ų16057.4 Ų57.475%0.74828%0.281SS*.THydrogen-bonded Turntrans-62.3-28.4-172.9-70.6174.142.600114.5R188 R189R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.41Å; R189-Q192 WeakPolarHBondContact O-CG 3.49Å; R189-Q192 PolarHBondContact O-NE2 3.06Å
193T71.6Confident90.1Very high130 Ų13052.9 Ų52.980%0.79826%0.26SS*.THydrogen-bonded Turntrans-97.7-6.6-175.852.80000114R191R191-T193 VanDerWaalsContact C-N 3.25Å; R191-T193 PolarHBondContact O-N 2.82Å
194D77.9Confident90.3Very high71 Ų7155.7 Ų55.738%0.3827%0.272SS..  trans-110.8123.4-166.7-58.8-9000109.9R191 V196R191-D194 HydrophobicContact CB-CB 4.4Å; R191-D194 IonicContact CZ-OD2 2.79Å; R191-D194 IonicContact NE-OD2 2.93Å; R191-D194 PolarHBondContact NE-OD2 2.97Å; R191-D194 IonicContact NH2-OD2 2.71Å; R191-D194 PolarHBondContact NH2-OD2 2.79Å; R191-D194 PolarHBondContact O-N 2.85Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 HydrophobicContact CB-CG2 3.58Å; D194-V196 PolarHBondContact O-N 2.91Å
195D84.1Confident90.5Very high111 Ų11155.5 Ų55.559%0.59427%0.274SS*.  trans-80.981.9168.2-174.913.7000108.1R254D195-R254 WeakPolarHBondContact O-CD 3.3Å; D195-R254 IonicContact OD1-CZ 3.39Å; D195-R254 IonicContact OD1-NE 3.34Å; D195-R254 PolarHBondContact OD1-NE 3.21Å; D195-R254 IonicContact OD1-NH2 3.26Å; D195-R254 IonicContact OD2-NE 2.75Å
196V90.7Very high90.8Very high21 Ų2155.6 Ų55.613%0.12727%0.273CS..  trans-100.5131.7177.9-169.40000109.2D163 Y165 D194 I198D163-V196 WeakPolarHBondContact O-CG1 3.34Å; Y165-V196 HydrophobicContact CD2-CG1 3.7Å; Y165-V196 HydrophobicContact CE2-CG1 3.82Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 HydrophobicContact CB-CG2 3.58Å; D194-V196 PolarHBondContact O-N 2.91Å; V196-I198 PolarHBondContact O-N 2.71Å
197P94.9Very high91.1Very high3 Ų355.5 Ų55.52%0.01928%0.275CS..  trans-62.6130.3175.225.8-32.8000112.1D163 A164 Y165 I199 Q250 I251 R254D163-P197 WeakPolarHBondContact O-CD 3.4Å; D163-P197 VanDerWaalsContact O-CG 3.3Å; D163-P197 WeakPolarHBondContact O-CG 3.39Å; A164-P197 WeakPolarHBondContact CA-O 3.27Å; A164-P197 HydrophobicContact CB-CG 3.73Å; Y165-P197 PolarHBondContact N-O 2.99Å; P197-I199 HydrophobicContact CB-CD1 4.43Å; P197-Q250 HydrophobicContact CB-CB 3.61Å; P197-Q250 HydrophobicContact CG-CB 4.44Å; P197-I251 HydrophobicContact CG-CB 4.48Å; P197-I251 HydrophobicContact CG-CG1 3.61Å; P197-R254 VanDerWaalsContact CA-CZ 3.49Å
198I96.6Very high91.4Very high13 Ų1360.3 Ų60.37%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-123127.8174.4-54.8167.2000109Y165 I167 L187 V196 C227 K228Y165-I198 WeakPolarHBondContact O-CA 3.48Å; I167-I198 HydrophobicContact CD1-CG2 3.77Å; I167-I198 HydrophobicContact CG1-CG2 4.08Å; L187-I198 HydrophobicContact CD2-CD1 3.65Å; L187-I198 HydrophobicContact CD2-CG1 3.89Å; L187-I198 HydrophobicContact CG-CD1 4.34Å; V196-I198 PolarHBondContact O-N 2.71Å; I198-C227 WeakPolarHBondContact O-CA 3.48Å; I198-K228 PolarHBondContact O-N 2.92Å
199I98.4Very high91.9Very high7 Ų764.7 Ų64.74%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-116.6121.3177.6-54.373.9000108Y165 V166 I167 P197 V201 K228 I230 L243 V247Y165-I199 PolarHBondContact O-N 3.05Å; V166-I199 CarbonylContact C-O 3.6Å; V166-I199 WeakPolarHBondContact CA-O 3.42Å; I167-I199 PolarHBondContact N-O 3.19Å; P197-I199 HydrophobicContact CB-CD1 4.43Å; I199-V201 HydrophobicContact CG2-CG2 4.01Å; I199-K228 CarbonylContact C-O 3.6Å; I199-K228 WeakPolarHBondContact CA-O 3.38Å; I199-K228 HydrophobicContact CG1-CB 4.28Å; I199-K228 HydrophobicContact CG2-CB 4.39Å; I199-I230 HydrophobicContact CG2-CG2 4.04Å; I199-L243 HydrophobicContact CB-CD1 4.37Å; I199-L243 HydrophobicContact CG2-CD1 3.76Å; I199-V247 HydrophobicContact CD1-CG2 3.71Å; I199-V247 HydrophobicContact CG1-CG2 4.15Å
200L98.8Very high92.4Very high9 Ų959.8 Ų59.85%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-86.4128.5170.3-176.867.4000109.2I167 Y169 F177 A180 C221 A222 C227 K228 F229 I230I167-L200 HydrophobicContact CB-CD1 4.35Å; I167-L200 HydrophobicContact CG2-CD1 4.36Å; I167-L200 WeakPolarHBondContact O-CA 3.48Å; Y169-L200 HydrophobicContact CD1-CD1 3.89Å; Y169-L200 HydrophobicContact CD1-CG 4.25Å; Y169-L200 HydrophobicContact CE1-CD1 4.07Å; Y169-L200 HydrophobicContact CE1-CD2 4.25Å; Y169-L200 HydrophobicContact CE1-CG 3.93Å; F177-L200 HydrophobicContact CE2-CD2 4.43Å; A180-L200 HydrophobicContact CB-CD1 4Å; L200-C221 HydrophobicContact CD2-CB 4.33Å; L200-A222 HydrophobicContact CB-CB 4.46Å; L200-A222 HydrophobicContact CD2-CB 4.17Å; L200-C227 HydrophobicContact CB-CB 4.34Å; L200-K228 PolarHBondContact N-O 2.94Å; L200-F229 HydrophobicContact CB-CD2 4.36Å; L200-F229 HydrophobicContact CD2-CD2 4.22Å; L200-F229 HydrophobicContact CG-CD2 4.26Å; L200-F229 WeakPolarHBondContact O-CA 3.13Å; L200-I230 PolarHBondContact O-N 2.94Å
201V98.9Very high93Very high0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans-123116.4-174.4-179.30000111L107 V166 I167 V168 Y169 I199 N203 I230 T232 L243L107-V201 HydrophobicContact CD1-CG1 4.38Å; V166-V201 HydrophobicContact CG1-CB 4.33Å; V166-V201 HydrophobicContact CG1-CG2 3.44Å; V166-V201 VanDerWaalsContact CG1-CG2 3.44Å; I167-V201 PolarHBondContact O-N 3.12Å; V168-V201 WeakPolarHBondContact CA-O 3.43Å; V168-V201 HydrophobicContact CG1-CG1 4.44Å; V168-V201 HydrophobicContact CG2-CB 4.33Å; Y169-V201 WeakPolarHBondContact CD1-O 3.33Å; Y169-V201 PolarHBondContact N-O 2.78Å; I199-V201 HydrophobicContact CG2-CG2 4.01Å; V201-N203 PolarHBondContact O-N 3.32Å; V201-I230 WeakPolarHBondContact CA-O 3.19Å; V201-I230 HydrophobicContact CG2-CG2 3.93Å; V201-T232 HydrophobicContact CG1-CG2 3.88Å; V201-T232 VanDerWaalsContact CG1-OG1 3.29Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.43Å; V201-L243 HydrophobicContact CG1-CD2 4.46Å; V201-L243 HydrophobicContact CG2-CD1 3.6Å; V201-L243 HydrophobicContact CG2-CD2 4.05Å; V201-L243 HydrophobicContact CG2-CG 4.48Å
202G98.8Very high93.7Very high0 Ų063.9 Ų63.90%032%0.321CS..EExtended strand (participates in β ladder)trans-8796.2167.700000110.3Y169 I230 E231 T232Y169-G202 VanDerWaalsContact CE1-CA 3.48Å; Y169-G202 VanDerWaalsContact CZ-CA 3.44Å; G202-I230 PolarHBondContact N-O 3.46Å; G202-E231 CarbonylContact O-C 3.59Å; G202-E231 VanDerWaalsContact O-CA 3.23Å; G202-E231 WeakPolarHBondContact O-CA 3.39Å; G202-T232 PolarHBondContact O-N 2.85Å
203N98.9Very high94.9Very high3 Ų356.3 Ų56.32%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-86.5165.4-179.9-169.329.4000111.7V102 V168 Y169 V171 V201 S205 T232 A234V102-N203 PolarHBondContact O-ND2 2.96Å; V168-N203 HydrophobicContact CG1-CB 3.81Å; Y169-N203 WeakPolarHBondContact O-CB 3.39Å; Y169-N203 PolarHBondContact O-N 3.24Å; V171-N203 PolarHBondContact N-O 3.27Å; V201-N203 PolarHBondContact O-N 3.32Å; N203-S205 VanDerWaalsContact C-N 3.32Å; N203-T232 CarbonylContact C-O 3.6Å; N203-T232 WeakPolarHBondContact CA-O 3.18Å; N203-T232 PolarHBondContact OD1-O 3.01Å; N203-T232 PolarHBondContact OD1-OG1 3.08Å; N203-A234 PolarHBondContact OD1-N 2.84Å
204K98.6Very high96.2Very high60 Ų6052.1 Ų52.126%0.26126%0.262SS..  trans65.532.2-176.8-41.5-168.9-160.3173.10113.3G101 S170 V171 D206 L207 T232G101-K204 WeakPolarHBondContact O-CE 3.13Å; G101-K204 PolarHBondContact O-NZ 3.42Å; S170-K204 VanDerWaalsContact OG-CD 3.25Å; S170-K204 WeakPolarHBondContact OG-CD 3.43Å; S170-K204 WeakPolarHBondContact OG-CE 3.4Å; V171-K204 VanDerWaalsContact CG2-O 3.22Å; V171-K204 WeakPolarHBondContact CG2-O 3.17Å; K204-D206 VanDerWaalsContact C-OD1 3.28Å; K204-D206 VanDerWaalsContact CA-OD1 3.31Å; K204-D206 WeakPolarHBondContact CA-OD1 3.49Å; K204-D206 PolarHBondContact O-N 3.39Å; K204-D206 VanDerWaalsContact O-N 3.08Å; K204-L207 HydrophobicContact CB-CD1 4.05Å; K204-L207 HydrophobicContact CB-CG 4.32Å; K204-L207 HydrophobicContact CD-CD1 4.19Å; K204-L207 PolarHBondContact O-N 2.83Å; K204-T232 PolarHBondContact N-O 3.5Å; K204-T232 VanDerWaalsContact N-O 3.14Å
205S98.6Very high97.2Very high17 Ų1751.3 Ų51.312%0.11926%0.259CS..THydrogen-bonded Turntrans-58.6-18.8178.254.10000114.2N203 L207 T232N203-S205 VanDerWaalsContact C-N 3.32Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 2.89Å; S205-T232 WeakPolarHBondContact CB-O 3.49Å; S205-T232 PolarHBondContact N-O 2.98Å; S205-T232 PolarHBondContact OG-O 3.12Å
206D98.5Very high97.8Very high53 Ų5351.7 Ų51.728%0.28326%0.262SS..THydrogen-bonded Turntrans-65.9-25.3172.956.3-73.9000113.9K204 V208 S233 L236K204-D206 VanDerWaalsContact C-OD1 3.28Å; K204-D206 VanDerWaalsContact CA-OD1 3.31Å; K204-D206 WeakPolarHBondContact CA-OD1 3.49Å; K204-D206 PolarHBondContact O-N 3.39Å; K204-D206 VanDerWaalsContact O-N 3.08Å; D206-V208 PolarHBondContact O-N 3.23Å; D206-S233 WeakPolarHBondContact OD1-CB 3.46Å; D206-S233 PolarHBondContact OD1-OG 2.82Å; D206-L236 HydrophobicContact CB-CD1 3.49Å; D206-L236 VanDerWaalsContact CB-CD1 3.49Å; D206-L236 HydrophobicContact CB-CG 3.9Å
207L98Very high98.2Very high73 Ų7354.9 Ų54.938%0.38228%0.275SS..  trans-84.355.6-177.6-60.5-177.5000112.3T172 K204 S205 R209 S210 R211T172-L207 HydrophobicContact CG2-CB 3.48Å; T172-L207 VanDerWaalsContact CG2-CB 3.48Å; T172-L207 HydrophobicContact CG2-CD1 3.81Å; T172-L207 HydrophobicContact CG2-CG 4.27Å; K204-L207 HydrophobicContact CB-CD1 4.05Å; K204-L207 HydrophobicContact CB-CG 4.32Å; K204-L207 HydrophobicContact CD-CD1 4.19Å; K204-L207 PolarHBondContact O-N 2.83Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 2.89Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 2.69Å; L207-S210 PolarHBondContact O-N 2.86Å; L207-R211 PolarHBondContact O-N 3.35Å
208V97.6Very high98.4Very high103 Ų10354.7 Ų54.762%0.62427%0.274SS*.G310 helixtrans-55.4-39.3-172.1-178.70000113.3D206 S210 R211D206-V208 PolarHBondContact O-N 3.23Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.12Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.95Å
209R98Very high98.4Very high254 Ų25460.6 Ų60.696%0.95830%0.295SS*.G310 helixtrans-72.3-22.2-178.2-67.5-176.2-178.6158.31113.9L207L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 2.69Å
210S98Very high98.4Very high71 Ų7162.9 Ų62.950%0.49732%0.315SS..G310 helixtrans-10513.5-179.8-52.30000111.7T172 L207 V208 E212T172-S210 VanDerWaalsContact CA-O 3.25Å; T172-S210 WeakPolarHBondContact CA-O 3.33Å; T172-S210 VanDerWaalsContact CB-O 3.26Å; T172-S210 WeakPolarHBondContact CB-O 3.47Å; T172-S210 WeakPolarHBondContact CG2-O 3.39Å; L207-S210 PolarHBondContact O-N 2.86Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.12Å; S210-E212 PolarHBondContact O-N 3.39Å
211R98.6Very high98.4Very high70 Ų7063.2 Ų63.226%0.26432%0.318SS..  trans-69125.3-177.3-179.9178.9-80.8-1089.9110.2V171 L207 V208 V213 E231V171-R211 HydrophobicContact CB-CG 4.45Å; L207-R211 PolarHBondContact O-N 3.35Å; V208-R211 WeakPolarHBondContact O-CB 3.39Å; V208-R211 PolarHBondContact O-N 2.95Å; R211-V213 WeakPolarHBondContact CD-O 3.36Å; R211-V213 WeakPolarHBondContact CG-O 3.44Å; R211-V213 PolarHBondContact NH1-O 3.2Å; R211-E231 IonicContact CZ-OE1 3.74Å; R211-E231 IonicContact CZ-OE2 3.64Å; R211-E231 IonicContact NH1-OE1 3.47Å; R211-E231 PolarHBondContact NH1-OE1 3.37Å; R211-E231 IonicContact NH1-OE2 3.22Å; R211-E231 IonicContact NH2-OE1 2.78Å; R211-E231 PolarHBondContact NH2-OE1 2.99Å; R211-E231 IonicContact NH2-OE2 3.68Å; R211-E231 PolarHBondContact NH2-OE2 3.38Å
212E98.6Very high98.3Very high113 Ų11363.3 Ų63.353%0.52832%0.319SS..  trans-107.7-21.8175.1-61.7-173.3176.600112.3V171 D173 K174 S210V171-E212 PolarHBondContact O-N 2.81Å; D173-E212 WeakPolarHBondContact CA-OE2 3.38Å; K174-E212 HydrophobicContact CB-CB 4.3Å; K174-E212 PolarHBondContact N-OE2 3.04Å; S210-E212 PolarHBondContact O-N 3.39Å
213V98.7Very high98.3Very high1 Ų168.8 Ų68.81%0.00635%0.352CS..SBendtrans-119.7119.9179.3-174.90000109.6Y169 V171 K174 F177 R211 E217Y169-V213 HydrophobicContact CE2-CB 4.08Å; Y169-V213 HydrophobicContact CE2-CG1 3.87Å; Y169-V213 HydrophobicContact CE2-CG2 4.42Å; V171-V213 PolarHBondContact O-N 3.48Å; K174-V213 HydrophobicContact CB-CG2 4.38Å; F177-V213 HydrophobicContact CB-CG2 3.84Å; F177-V213 HydrophobicContact CD1-CG1 4.14Å; F177-V213 HydrophobicContact CD1-CG2 4.25Å; F177-V213 HydrophobicContact CD2-CG1 4.09Å; F177-V213 HydrophobicContact CE1-CG1 4.24Å; F177-V213 HydrophobicContact CE2-CG1 4.2Å; F177-V213 HydrophobicContact CG-CG1 4.03Å; F177-V213 HydrophobicContact CG-CG2 4.06Å; F177-V213 HydrophobicContact CZ-CG1 4.25Å; R211-V213 WeakPolarHBondContact CD-O 3.36Å; R211-V213 WeakPolarHBondContact CG-O 3.44Å; R211-V213 PolarHBondContact NH1-O 3.2Å; V213-E217 HydrophobicContact CG1-CB 4.08Å
214S98.6Very high98.1Very high42 Ų4274 Ų7429%0.29438%0.384SS..  trans-72.2158.5177.366.60000112.2D216 E217 G218S214-D216 PolarHBondContact O-N 3.12Å; S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.18Å; S214-E217 PolarHBondContact O-N 3.19Å; S214-E217 WeakPolarHBondContact OG-CB 3.15Å; S214-E217 WeakPolarHBondContact OG-CG 3.33Å; S214-E217 PolarHBondContact OG-N 3.11Å; S214-E217 PolarHBondContact OG-OE2 3.29Å; S214-G218 PolarHBondContact O-N 3.03Å
215V98.4Very high97.9Very high53 Ų5373.4 Ų73.432%0.32138%0.381SS..Hα-helixtrans-59.5-38.1175.1-171.10000110.6G218 R219 F229 E231V215-G218 PolarHBondContact O-N 3.41Å; V215-R219 WeakPolarHBondContact O-CB 3.45Å; V215-R219 PolarHBondContact O-N 3.37Å; V215-F229 HydrophobicContact CG1-CE1 4.01Å; V215-E231 WeakPolarHBondContact CG2-OE1 3.17Å
216D98.6Very high97.6Very high120 Ų12078.2 Ų78.264%0.64241%0.406SS*.Hα-helixtrans-70.3-38.5-178.2-67.4-36.1000112.2S214 R219 A220S214-D216 PolarHBondContact O-N 3.12Å; D216-R219 PolarHBondContact O-N 3.4Å; D216-A220 VanDerWaalsContact O-CB 3.23Å; D216-A220 WeakPolarHBondContact O-CB 3.31Å; D216-A220 PolarHBondContact O-N 3.09Å
217E98.1Very high97.5Very high87 Ų8776.5 Ų76.541%0.40740%0.398SS..Hα-helixtrans-61.6-46.1172.2-76.2167122.700111.6V213 S214 R219 A220 C221V213-E217 HydrophobicContact CG1-CB 4.08Å; S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.18Å; S214-E217 PolarHBondContact O-N 3.19Å; S214-E217 WeakPolarHBondContact OG-CB 3.15Å; S214-E217 WeakPolarHBondContact OG-CG 3.33Å; S214-E217 PolarHBondContact OG-N 3.11Å; S214-E217 PolarHBondContact OG-OE2 3.29Å; E217-R219 PolarHBondContact O-N 3.35Å; E217-A220 PolarHBondContact O-N 3.08Å; E217-C221 VanDerWaalsContact O-CB 3.22Å; E217-C221 WeakPolarHBondContact O-CB 3.49Å; E217-C221 PolarHBondContact O-N 3.39Å
218G98.3Very high97.5Very high0 Ų078.1 Ų78.10%040%0.402CS..Hα-helixtrans-60.2-44.817600000112.3S214 V215 C221 A222S214-G218 PolarHBondContact O-N 3.03Å; V215-G218 PolarHBondContact O-N 3.41Å; G218-C221 PolarHBondContact O-N 2.95Å; G218-A222 PolarHBondContact O-N 2.91Å
219R98.5Very high97.5Very high136 Ų13675 Ų7551%0.51338%0.38SS..Hα-helixtrans-64.8-45.6177.5-171.8-177.2-58.9-78.8-2.8112.2V215 D216 E217 C221 A222 V223 F229V215-R219 WeakPolarHBondContact O-CB 3.45Å; V215-R219 PolarHBondContact O-N 3.37Å; D216-R219 PolarHBondContact O-N 3.4Å; E217-R219 PolarHBondContact O-N 3.35Å; R219-C221 VanDerWaalsContact C-N 3.34Å; R219-A222 PolarHBondContact O-N 3.4Å; R219-V223 WeakPolarHBondContact O-CG2 3.49Å; R219-V223 PolarHBondContact O-N 2.99Å; R219-F229 HydrophobicContact CB-CD1 4.05Å; R219-F229 HydrophobicContact CB-CE1 4.31Å
220A98.4Very high97.6Very high55 Ų5564.5 Ų64.546%0.45534%0.343SS..Hα-helixtrans-62-43.7178.200000111.2D216 E217 A222 V223 V224D216-A220 VanDerWaalsContact O-CB 3.23Å; D216-A220 WeakPolarHBondContact O-CB 3.31Å; D216-A220 PolarHBondContact O-N 3.09Å; E217-A220 PolarHBondContact O-N 3.08Å; A220-A222 PolarHBondContact O-N 3.19Å; A220-V223 PolarHBondContact O-N 3.46Å; A220-V224 WeakPolarHBondContact O-CG2 3.49Å; A220-V224 PolarHBondContact O-N 3.34Å
221C97.6Very high97.6Very high16 Ų1662.4 Ų62.411%0.10833%0.325CS..Hα-helixtrans-58.6-46.7174.7178.20000111.8F177 L200 E217 G218 R219 V223 V224 F225F177-C221 HydrophobicContact CE2-CB 3.97Å; F177-C221 HydrophobicContact CZ-CB 3.55Å; L200-C221 HydrophobicContact CD2-CB 4.33Å; E217-C221 VanDerWaalsContact O-CB 3.22Å; E217-C221 WeakPolarHBondContact O-CB 3.49Å; E217-C221 PolarHBondContact O-N 3.39Å; G218-C221 PolarHBondContact O-N 2.95Å; R219-C221 VanDerWaalsContact C-N 3.34Å; C221-V223 VanDerWaalsContact C-N 3.31Å; C221-V223 PolarHBondContact O-N 2.84Å; C221-V224 PolarHBondContact O-N 3.23Å; C221-F225 VanDerWaalsContact O-CD2 3.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.29Å; C221-F225 PolarHBondContact O-N 3.41Å; C221-F225 WeakPolarHBondContact SG-CD2 3.48Å; C221-F225 VanDerWaalsContact SG-CE2 3.53Å
222A97.5Very high97.6Very high3 Ų359.1 Ų59.13%0.02531%0.312CS..Hα-helixtrans-61.7-36.717700000113L200 G218 R219 A220 F225 D226 C227 F229L200-A222 HydrophobicContact CB-CB 4.46Å; L200-A222 HydrophobicContact CD2-CB 4.17Å; G218-A222 PolarHBondContact O-N 2.91Å; R219-A222 PolarHBondContact O-N 3.4Å; A220-A222 PolarHBondContact O-N 3.19Å; A222-F225 CarbonylContact O-C 3.49Å; A222-F225 PolarHBondContact O-N 3.3Å; A222-D226 PolarHBondContact O-N 2.92Å; A222-C227 HydrophobicContact CB-CB 4.23Å; A222-C227 PolarHBondContact O-N 3.06Å; A222-F229 HydrophobicContact CB-CB 3.63Å; A222-F229 HydrophobicContact CB-CG 4.35Å
223V97.3Very high97.6Very high115 Ų11553.7 Ų53.770%0.69729%0.287SS*.Hα-helixtrans-64.2-47.9173.5171.90000110.9R219 A220 C221 F225 D226R219-V223 WeakPolarHBondContact O-CG2 3.49Å; R219-V223 PolarHBondContact O-N 2.99Å; A220-V223 PolarHBondContact O-N 3.46Å; C221-V223 VanDerWaalsContact C-N 3.31Å; C221-V223 PolarHBondContact O-N 2.84Å; V223-F225 PolarHBondContact O-N 2.98Å; V223-D226 PolarHBondContact O-N 3.29Å
224V95.9Very high97.5Very high111 Ų11154.1 Ų54.167%0.67329%0.291SS*.Hα-helixtrans-58.8-37.8179.3169.60000111.6A220 C221A220-V224 WeakPolarHBondContact O-CG2 3.49Å; A220-V224 PolarHBondContact O-N 3.34Å; C221-V224 PolarHBondContact O-N 3.23Å
225F93.1Very high97.4Very high48 Ų4855.8 Ų55.821%0.21131%0.307CS..THydrogen-bonded Turntrans-95.97.5-178.6-68.6-59.9000114.9R184 V185 C221 A222 V223 C227R184-F225 HydrophobicContact CG-CB 3.64Å; R184-F225 HydrophobicContact CG-CD1 3.86Å; R184-F225 HydrophobicContact CG-CD2 4.39Å; R184-F225 HydrophobicContact CG-CG 3.72Å; R184-F225 PolarHBondContact NE-O 3.19Å; R184-F225 PolarHBondContact NH2-O 3.43Å; V185-F225 HydrophobicContact CG2-CE1 3.79Å; V185-F225 HydrophobicContact CG2-CZ 4.43Å; C221-F225 VanDerWaalsContact O-CD2 3.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.29Å; C221-F225 PolarHBondContact O-N 3.41Å; C221-F225 WeakPolarHBondContact SG-CD2 3.48Å; C221-F225 VanDerWaalsContact SG-CE2 3.53Å; A222-F225 CarbonylContact O-C 3.49Å; A222-F225 PolarHBondContact O-N 3.3Å; V223-F225 PolarHBondContact O-N 2.98Å; F225-C227 PolarHBondContact O-N 3.05Å; F225-C227 PolarHBondContact O-SG 3.04Å
226D93.3Very high97.3Very high118 Ų11859 Ų5963%0.63132%0.321SS*.THydrogen-bonded Turntrans50.753.4-177.4-170.433.6000112.6A222 V223A222-D226 PolarHBondContact O-N 2.92Å; V223-D226 PolarHBondContact O-N 3.29Å
227C95.7Very high97.2Very high18 Ų1859.3 Ų59.312%0.12232%0.319CS..  trans-116.9158.1176.3-620000110.4R184 I198 L200 A222 F225R184-C227 VanDerWaalsContact CD-SG 3.51Å; R184-C227 PolarHBondContact NE-SG 3.36Å; I198-C227 WeakPolarHBondContact O-CA 3.48Å; L200-C227 HydrophobicContact CB-CB 4.34Å; A222-C227 HydrophobicContact CB-CB 4.23Å; A222-C227 PolarHBondContact O-N 3.06Å; F225-C227 PolarHBondContact O-N 3.05Å; F225-C227 PolarHBondContact O-SG 3.04Å
228K97.9Very high97.2Very high107 Ų10759.7 Ų59.747%0.46532%0.321SS..EExtended strand (participates in β ladder)trans-79.5154.8160.4-58.4-50.9-176.4-170.60109.5I198 I199 L200 Q250I198-K228 PolarHBondContact O-N 2.92Å; I199-K228 CarbonylContact C-O 3.6Å; I199-K228 WeakPolarHBondContact CA-O 3.38Å; I199-K228 HydrophobicContact CG1-CB 4.28Å; I199-K228 HydrophobicContact CG2-CB 4.39Å; L200-K228 PolarHBondContact N-O 2.94Å; K228-Q250 VanDerWaalsContact CE-CD 3.48Å; K228-Q250 HydrophobicContact CG-CG 3.94Å
229F98.7Very high97.2Very high38 Ų3862.6 Ų62.617%0.16734%0.336CS..EExtended strand (participates in β ladder)trans-129.7137.4-178.7178.6-112.9000110.9Y169 L200 V215 R219 A222 E231Y169-F229 HydrophobicContact CE1-CE2 4.25Å; Y169-F229 WeakPolarHBondContact OH-CE2 3.24Å; L200-F229 HydrophobicContact CB-CD2 4.36Å; L200-F229 HydrophobicContact CD2-CD2 4.22Å; L200-F229 HydrophobicContact CG-CD2 4.26Å; L200-F229 WeakPolarHBondContact O-CA 3.13Å; V215-F229 HydrophobicContact CG1-CE1 4.01Å; R219-F229 HydrophobicContact CB-CD1 4.05Å; R219-F229 HydrophobicContact CB-CE1 4.31Å; A222-F229 HydrophobicContact CB-CB 3.63Å; A222-F229 HydrophobicContact CB-CG 4.35Å; F229-E231 HydrophobicContact CE1-CG 4.03Å; F229-E231 HydrophobicContact CE2-CG 4.44Å; F229-E231 HydrophobicContact CZ-CG 3.58Å
230I98.8Very high97.1Very high33 Ų3356.3 Ų56.317%0.16931%0.313CS..EExtended strand (participates in β ladder)trans-149.1142.9171.3-171.3168.1000109.6I199 L200 V201 G202 T232 N239 A242 L243I199-I230 HydrophobicContact CG2-CG2 4.04Å; L200-I230 PolarHBondContact O-N 2.94Å; V201-I230 WeakPolarHBondContact CA-O 3.19Å; V201-I230 HydrophobicContact CG2-CG2 3.93Å; G202-I230 PolarHBondContact N-O 3.46Å; I230-T232 HydrophobicContact CG1-CG2 4.43Å; I230-T232 HydrophobicContact CG2-CG2 4.36Å; I230-N239 HydrophobicContact CD1-CB 3.88Å; I230-N239 HydrophobicContact CG1-CB 4.17Å; I230-A242 HydrophobicContact CD1-CB 4Å; I230-L243 HydrophobicContact CD1-CB 4.41Å; I230-L243 HydrophobicContact CG2-CB 4.35Å; I230-L243 HydrophobicContact CG2-CD1 3.84Å
231E98.8Very high97Very high27 Ų2760.5 Ų60.513%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-97.6137.1166.8-69.5-162.2162.200110.4G202 R211 V215 F229 N239G202-E231 CarbonylContact O-C 3.59Å; G202-E231 VanDerWaalsContact O-CA 3.23Å; G202-E231 WeakPolarHBondContact O-CA 3.39Å; R211-E231 IonicContact CZ-OE1 3.74Å; R211-E231 IonicContact CZ-OE2 3.64Å; R211-E231 IonicContact NH1-OE1 3.47Å; R211-E231 PolarHBondContact NH1-OE1 3.37Å; R211-E231 IonicContact NH1-OE2 3.22Å; R211-E231 IonicContact NH2-OE1 2.78Å; R211-E231 PolarHBondContact NH2-OE1 2.99Å; R211-E231 IonicContact NH2-OE2 3.68Å; R211-E231 PolarHBondContact NH2-OE2 3.38Å; V215-E231 WeakPolarHBondContact CG2-OE1 3.17Å; F229-E231 HydrophobicContact CE1-CG 4.03Å; F229-E231 HydrophobicContact CE2-CG 4.44Å; F229-E231 HydrophobicContact CZ-CG 3.58Å; E231-N239 VanDerWaalsContact O-CB 3.27Å; E231-N239 WeakPolarHBondContact O-CB 3.39Å; E231-N239 PolarHBondContact O-ND2 2.77Å
232T98.8Very high97.1Very high0 Ų061.6 Ų61.60%033%0.334CS..  trans-127.2160.7-178.661.10000111V201 G202 N203 K204 S205 I230 H238 N239 L243V201-T232 HydrophobicContact CG1-CG2 3.88Å; V201-T232 VanDerWaalsContact CG1-OG1 3.29Å; V201-T232 WeakPolarHBondContact CG1-OG1 3.43Å; G202-T232 PolarHBondContact O-N 2.85Å; N203-T232 CarbonylContact C-O 3.6Å; N203-T232 WeakPolarHBondContact CA-O 3.18Å; N203-T232 PolarHBondContact OD1-O 3.01Å; N203-T232 PolarHBondContact OD1-OG1 3.08Å; K204-T232 PolarHBondContact N-O 3.5Å; K204-T232 VanDerWaalsContact N-O 3.14Å; S205-T232 WeakPolarHBondContact CB-O 3.49Å; S205-T232 PolarHBondContact N-O 2.98Å; S205-T232 PolarHBondContact OG-O 3.12Å; I230-T232 HydrophobicContact CG1-CG2 4.43Å; I230-T232 HydrophobicContact CG2-CG2 4.36Å; T232-H238 WeakPolarHBondContact CA-O 3.47Å; T232-N239 HydrophobicContact CG2-CB 3.99Å; T232-L243 HydrophobicContact CG2-CB 4.35Å; T232-L243 HydrophobicContact CG2-CD2 4.34Å
233S98.5Very high97.1Very high0 Ų061.6 Ų61.60%033%0.333CS..BIsolated β-bridgetrans-130.6109.5161.3174.20000107.6D206 A235 L236 H237 H238D206-S233 WeakPolarHBondContact OD1-CB 3.46Å; D206-S233 PolarHBondContact OD1-OG 2.82Å; S233-A235 VanDerWaalsContact C-N 3.27Å; S233-A235 PolarHBondContact OG-N 2.93Å; S233-L236 PolarHBondContact O-N 3.07Å; S233-L236 PolarHBondContact OG-N 2.79Å; S233-H237 CarbonylContact O-C 3.58Å; S233-H237 WeakPolarHBondContact O-CA 3.36Å; S233-H237 PolarHBondContact O-N 3.14Å; S233-H238 PolarHBondContact N-O 3.08Å; S233-H238 PolarHBondContact O-N 3.45Å
234A97.2Very high97.1Very high10 Ų1056.2 Ų56.28%0.08330%0.3CS..THydrogen-bonded Turntrans-59.9-42.1170.300000110.8A106 L107 I110 N203 L236 H237A106-A234 HydrophobicContact CB-CB 3.8Å; L107-A234 HydrophobicContact CD2-CB 4.08Å; L107-A234 HydrophobicContact CG-CB 4.39Å; I110-A234 HydrophobicContact CD1-CB 3.71Å; I110-A234 WeakPolarHBondContact CD1-O 3.29Å; N203-A234 PolarHBondContact OD1-N 2.84Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.9Å; A234-H237 PolarHBondContact O-N 2.92Å
235A96.3Very high97.2Very high77 Ų7752.6 Ų52.664%0.63628%0.276SS*.THydrogen-bonded Turntrans-61.9-35.5-178.600000113.3S233S233-A235 VanDerWaalsContact C-N 3.27Å; S233-A235 PolarHBondContact OG-N 2.93Å
236L96.6Very high97.5Very high119 Ų11951.4 Ų51.462%0.62328%0.277SS*.THydrogen-bonded Turntrans-101.27.8178.9-57-173.8000113.4D206 S233 A234 H238D206-L236 HydrophobicContact CB-CD1 3.49Å; D206-L236 VanDerWaalsContact CB-CD1 3.49Å; D206-L236 HydrophobicContact CB-CG 3.9Å; S233-L236 PolarHBondContact O-N 3.07Å; S233-L236 PolarHBondContact OG-N 2.79Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.9Å; L236-H238 HydrophobicContact CB-CB 4.36Å; L236-H238 PolarHBondContact O-N 2.84Å
237H95.7Very high97.7Very high127 Ų12745.8 Ų45.859%0.58825%0.247SC*.THydrogen-bonded Turntrans51.423.5-171.2-61.8-99.3000113.9I110 S233 A234I110-H237 VanDerWaalsContact CG2-ND1 3.29Å; I110-H237 WeakPolarHBondContact CG2-ND1 3.29Å; S233-H237 CarbonylContact O-C 3.58Å; S233-H237 WeakPolarHBondContact O-CA 3.36Å; S233-H237 PolarHBondContact O-N 3.14Å; A234-H237 PolarHBondContact O-N 2.92Å
238H98.1Very high97.7Very high95 Ų9545 Ų4544%0.4424%0.242SC..BIsolated β-bridgetrans-80.7128.5-175.4-178.4-109.9000110.6T232 S233 L236 V240T232-H238 WeakPolarHBondContact CA-O 3.47Å; S233-H238 PolarHBondContact N-O 3.08Å; S233-H238 PolarHBondContact O-N 3.45Å; L236-H238 HydrophobicContact CB-CB 4.36Å; L236-H238 PolarHBondContact O-N 2.84Å; H238-V240 PolarHBondContact O-N 3.49Å
239N98.2Very high97.7Very high61 Ų6143.7 Ų43.733%0.32623%0.234SC..THydrogen-bonded Turntrans59.28.6179-73.2-18.6000116.3I230 E231 T232 A242 L243I230-N239 HydrophobicContact CD1-CB 3.88Å; I230-N239 HydrophobicContact CG1-CB 4.17Å; E231-N239 VanDerWaalsContact O-CB 3.27Å; E231-N239 WeakPolarHBondContact O-CB 3.39Å; E231-N239 PolarHBondContact O-ND2 2.77Å; T232-N239 HydrophobicContact CG2-CB 3.99Å; N239-A242 PolarHBondContact O-N 3.16Å; N239-L243 WeakPolarHBondContact O-CB 3.39Å; N239-L243 PolarHBondContact O-N 3.19Å
240V97.4Very high97.6Very high5 Ų543.4 Ų43.43%0.0323%0.233CC..Hα-helixtrans-65.7-46.6179.3-174.80000110.6L107 I110 H238 A242 L243 F244L107-V240 HydrophobicContact CD2-CG1 4.2Å; L107-V240 HydrophobicContact CD2-CG2 3.83Å; I110-V240 HydrophobicContact CB-CG1 4.25Å; I110-V240 HydrophobicContact CG2-CB 4.21Å; I110-V240 HydrophobicContact CG2-CG1 3.75Å; I110-V240 HydrophobicContact CG2-CG2 4.39Å; H238-V240 PolarHBondContact O-N 3.49Å; V240-A242 PolarHBondContact O-N 3.43Å; V240-L243 WeakPolarHBondContact O-CB 3.28Å; V240-L243 PolarHBondContact O-N 2.56Å; V240-F244 HydrophobicContact CG1-CD2 4.17Å; V240-F244 HydrophobicContact CG1-CE2 3.83Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.29Å
241Q96.1Very high97.4Very high142 Ų14242 Ų4266%0.66423%0.226SC*.Hα-helixtrans-60.2-48.1174.7180178-12.800111.6L243 F244 E245Q241-L243 PolarHBondContact O-N 3.45Å; Q241-F244 PolarHBondContact O-N 3.08Å; Q241-F244 VanDerWaalsContact O-N 3.12Å; Q241-E245 HydrophobicContact CG-CG 4.24Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.44Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 2.83Å; Q241-E245 PolarHBondContact O-N 3.36Å
242A98.3Very high97.2Very high40 Ų4042.3 Ų42.333%0.33123%0.226SC..Hα-helixtrans-58.8-34.5179.700000112.9I230 N239 V240 G246I230-A242 HydrophobicContact CD1-CB 4Å; N239-A242 PolarHBondContact O-N 3.16Å; V240-A242 PolarHBondContact O-N 3.43Å; A242-G246 PolarHBondContact O-N 3.05Å
243L98.6Very high96.8Very high3 Ų346.8 Ų46.82%0.01625%0.249CC..Hα-helixtrans-59-54.2173.1166.462.2000111.3V166 I199 V201 I230 T232 N239 V240 Q241 G246 V247V166-L243 HydrophobicContact CG1-CD1 4.15Å; V166-L243 HydrophobicContact CG1-CD2 4.26Å; V166-L243 HydrophobicContact CG2-CD1 4.43Å; I199-L243 HydrophobicContact CB-CD1 4.37Å; I199-L243 HydrophobicContact CG2-CD1 3.76Å; V201-L243 HydrophobicContact CG1-CD2 4.46Å; V201-L243 HydrophobicContact CG2-CD1 3.6Å; V201-L243 HydrophobicContact CG2-CD2 4.05Å; V201-L243 HydrophobicContact CG2-CG 4.48Å; I230-L243 HydrophobicContact CD1-CB 4.41Å; I230-L243 HydrophobicContact CG2-CB 4.35Å; I230-L243 HydrophobicContact CG2-CD1 3.84Å; T232-L243 HydrophobicContact CG2-CB 4.35Å; T232-L243 HydrophobicContact CG2-CD2 4.34Å; N239-L243 WeakPolarHBondContact O-CB 3.39Å; N239-L243 PolarHBondContact O-N 3.19Å; V240-L243 WeakPolarHBondContact O-CB 3.28Å; V240-L243 PolarHBondContact O-N 2.56Å; Q241-L243 PolarHBondContact O-N 3.45Å; L243-G246 WeakPolarHBondContact O-CA 3.45Å; L243-G246 PolarHBondContact O-N 3.05Å; L243-V247 HydrophobicContact CD1-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.05Å
244F98.1Very high96.4Very high1 Ų148.9 Ų48.90%0.00426%0.257CS..Hα-helixtrans-72.7-34.7-175.2-69-76000113F111 I131 L140 V142 V240 Q241 G246 V247 V248F111-F244 HydrophobicContact CB-CD2 3.88Å; F111-F244 HydrophobicContact CB-CE1 4.28Å; F111-F244 HydrophobicContact CB-CE2 3.44Å; F111-F244 VanDerWaalsContact CB-CE2 3.44Å; F111-F244 HydrophobicContact CB-CG 4.5Å; F111-F244 HydrophobicContact CB-CZ 3.65Å; F111-F244 HydrophobicContact CD1-CE1 4.42Å; F111-F244 HydrophobicContact CD2-CB 3.81Å; F111-F244 AromaticContact CD2-CD1 3.8Å; F111-F244 HydrophobicContact CD2-CD1 3.8Å; F111-F244 AromaticContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CD2 3.35Å; F111-F244 HydrophobicContact CD2-CE1 4.21Å; F111-F244 AromaticContact CD2-CE2 3.84Å; F111-F244 HydrophobicContact CD2-CE2 3.84Å; F111-F244 AromaticContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CG 3.35Å; F111-F244 HydrophobicContact CD2-CZ 4.23Å; F111-F244 HydrophobicContact CE2-CB 3.77Å; F111-F244 HydrophobicContact CE2-CD1 4.08Å; F111-F244 HydrophobicContact CE2-CD2 4.2Å; F111-F244 AromaticContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CE2-CG 3.75Å; F111-F244 HydrophobicContact CG-CD1 4.06Å; F111-F244 AromaticContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CD2 3.83Å; F111-F244 HydrophobicContact CG-CE1 4.01Å; F111-F244 AromaticContact CG-CE2 3.81Å; F111-F244 HydrophobicContact CG-CE2 3.81Å; F111-F244 AromaticContact CG-CG 3.98Å; F111-F244 HydrophobicContact CG-CG 3.98Å; F111-F244 AromaticContact CG-CZ 3.88Å; F111-F244 HydrophobicContact CG-CZ 3.88Å; I131-F244 HydrophobicContact CD1-CB 4.24Å; L140-F244 HydrophobicContact CD1-CB 3.95Å; L140-F244 HydrophobicContact CD1-CD1 3.99Å; L140-F244 HydrophobicContact CD1-CG 4.4Å; V142-F244 HydrophobicContact CG1-CE1 4.29Å; V142-F244 HydrophobicContact CG2-CD1 4.22Å; V142-F244 HydrophobicContact CG2-CE1 3.7Å; V240-F244 HydrophobicContact CG1-CD2 4.17Å; V240-F244 HydrophobicContact CG1-CE2 3.83Å; V240-F244 WeakPolarHBondContact O-CD2 3.49Å; V240-F244 PolarHBondContact O-N 3.29Å; Q241-F244 PolarHBondContact O-N 3.08Å; Q241-F244 VanDerWaalsContact O-N 3.12Å; F244-G246 VanDerWaalsContact C-N 3.3Å; F244-G246 PolarHBondContact O-N 3.47Å; F244-V247 WeakPolarHBondContact O-CB 3.32Å; F244-V247 PolarHBondContact O-N 2.84Å; F244-V248 PolarHBondContact O-N 3.32Å; F244-V248 VanDerWaalsContact O-N 3.12Å
245E97.8Very high95.9Very high36 Ų3652 Ų5217%0.16827%0.267CS..Hα-helixtrans-62.5-40.8168.4-63.4-179.1-171.700111.4I131 V133 Q241 V247 V248 R249I131-E245 HydrophobicContact CD1-CG 4.44Å; V133-E245 HydrophobicContact CG1-CB 4.31Å; V133-E245 HydrophobicContact CG2-CB 4.18Å; V133-E245 HydrophobicContact CG2-CG 4.09Å; Q241-E245 HydrophobicContact CG-CG 4.24Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.44Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 2.83Å; Q241-E245 PolarHBondContact O-N 3.36Å; E245-V247 VanDerWaalsContact C-N 3.3Å; E245-V247 PolarHBondContact O-N 3.18Å; E245-V248 PolarHBondContact O-N 3.23Å; E245-R249 VanDerWaalsContact CB-NH1 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.25Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 3.5Å; E245-R249 IonicContact OE2-NH1 3.75Å; E245-R249 PolarHBondContact OE2-NH1 3.4Å; E245-R249 IonicContact OE2-NH2 3.02Å; E245-R249 PolarHBondContact OE2-NH2 3.1Å
246G97.8Very high95.4Very high23 Ų2353 Ų5324%0.23726%0.262CS..Hα-helixtrans-59.6-39.7174.700000112.5A242 L243 F244 R249 Q250A242-G246 PolarHBondContact O-N 3.05Å; L243-G246 WeakPolarHBondContact O-CA 3.45Å; L243-G246 PolarHBondContact O-N 3.05Å; F244-G246 VanDerWaalsContact C-N 3.3Å; F244-G246 PolarHBondContact O-N 3.47Å; G246-R249 PolarHBondContact O-N 3.28Å; G246-Q250 WeakPolarHBondContact O-CB 3.38Å; G246-Q250 VanDerWaalsContact O-CG 3.24Å; G246-Q250 WeakPolarHBondContact O-CG 3.48Å; G246-Q250 PolarHBondContact O-N 3.49Å
247V98Very high94.7Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-58.8-52.9173.2170.70000110.6V94 A164 V166 I199 L243 F244 E245 R249 Q250 I251V94-V247 HydrophobicContact CG1-CG1 4.26Å; V94-V247 HydrophobicContact CG2-CG1 3.77Å; A164-V247 HydrophobicContact CB-CG1 3.58Å; V166-V247 HydrophobicContact CG2-CG2 3.9Å; I199-V247 HydrophobicContact CD1-CG2 3.71Å; I199-V247 HydrophobicContact CG1-CG2 4.15Å; L243-V247 HydrophobicContact CD1-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.47Å; L243-V247 PolarHBondContact O-N 3.05Å; F244-V247 WeakPolarHBondContact O-CB 3.32Å; F244-V247 PolarHBondContact O-N 2.84Å; E245-V247 VanDerWaalsContact C-N 3.3Å; E245-V247 PolarHBondContact O-N 3.18Å; V247-R249 PolarHBondContact O-N 3Å; V247-Q250 PolarHBondContact O-N 3Å; V247-Q250 VanDerWaalsContact O-N 3.1Å; V247-I251 HydrophobicContact CG1-CD1 3.87Å; V247-I251 HydrophobicContact CG1-CG1 4.43Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.8Å
248V97.1Very high94Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-56.3-49.1179173.30000111.2Y92 I131 V133 A138 L140 F244 E245 Q250 I251 R252Y92-V248 HydrophobicContact CE2-CG1 4.39Å; I131-V248 HydrophobicContact CD1-CG2 3.95Å; I131-V248 HydrophobicContact CG1-CG2 4.36Å; V133-V248 HydrophobicContact CB-CB 4.3Å; V133-V248 HydrophobicContact CB-CG1 3.88Å; V133-V248 HydrophobicContact CG1-CB 4.31Å; V133-V248 HydrophobicContact CG1-CG1 4.13Å; V133-V248 HydrophobicContact CG2-CB 3.9Å; V133-V248 HydrophobicContact CG2-CG1 3.91Å; V133-V248 HydrophobicContact CG2-CG2 4.06Å; A138-V248 HydrophobicContact CB-CB 4.48Å; A138-V248 HydrophobicContact CB-CG1 3.69Å; A138-V248 HydrophobicContact CB-CG2 3.87Å; L140-V248 HydrophobicContact CD1-CG2 4.09Å; L140-V248 HydrophobicContact CD2-CG2 3.66Å; L140-V248 HydrophobicContact CG-CG2 4.13Å; F244-V248 PolarHBondContact O-N 3.32Å; F244-V248 VanDerWaalsContact O-N 3.12Å; E245-V248 PolarHBondContact O-N 3.23Å; V248-Q250 VanDerWaalsContact C-N 3.27Å; V248-Q250 PolarHBondContact O-N 2.95Å; V248-I251 PolarHBondContact O-N 2.98Å; V248-I251 VanDerWaalsContact O-N 3.16Å; V248-R252 HydrophobicContact CG1-CG 4.36Å; V248-R252 PolarHBondContact O-N 2.81Å
249R96.9Very high93.2Very high81 Ų8153.1 Ų53.131%0.30627%0.265SS..Hα-helixtrans-55.8-44.2177.6-70.3-178.9-171.51063.3111.4V133 D134 E245 G246 V247 L253V133-R249 HydrophobicContact CG1-CG 3.7Å; D134-R249 IonicContact OD1-CZ 3.83Å; D134-R249 IonicContact OD1-NE 3.09Å; D134-R249 PolarHBondContact OD1-NE 2.86Å; D134-R249 VanDerWaalsContact OD1-NE 3.1Å; D134-R249 IonicContact OD1-NH2 3.57Å; D134-R249 PolarHBondContact OD1-NH2 3.28Å; D134-R249 WeakPolarHBondContact OD2-CG 3.26Å; D134-R249 IonicContact OD2-NE 3Å; D134-R249 PolarHBondContact OD2-NE 2.72Å; D134-R249 VanDerWaalsContact OD2-NE 3.09Å; E245-R249 VanDerWaalsContact CB-NH1 3.29Å; E245-R249 WeakPolarHBondContact O-CG 3.25Å; E245-R249 PolarHBondContact O-N 2.89Å; E245-R249 IonicContact OE2-CZ 3.5Å; E245-R249 IonicContact OE2-NH1 3.75Å; E245-R249 PolarHBondContact OE2-NH1 3.4Å; E245-R249 IonicContact OE2-NH2 3.02Å; E245-R249 PolarHBondContact OE2-NH2 3.1Å; G246-R249 PolarHBondContact O-N 3.28Å; V247-R249 PolarHBondContact O-N 3Å; R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 WeakPolarHBondContact O-CD1 3.38Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 2.84Å
250Q96.5Very high92.2Very high31 Ų3152.4 Ų52.415%0.14527%0.268CS..Hα-helixtrans-69.8-31.2-179.1-71.9-58.9-64.300113.8P197 K228 G246 V247 V248 R254P197-Q250 HydrophobicContact CB-CB 3.61Å; P197-Q250 HydrophobicContact CG-CB 4.44Å; K228-Q250 VanDerWaalsContact CE-CD 3.48Å; K228-Q250 HydrophobicContact CG-CG 3.94Å; G246-Q250 WeakPolarHBondContact O-CB 3.38Å; G246-Q250 VanDerWaalsContact O-CG 3.24Å; G246-Q250 WeakPolarHBondContact O-CG 3.48Å; G246-Q250 PolarHBondContact O-N 3.49Å; V247-Q250 PolarHBondContact O-N 3Å; V247-Q250 VanDerWaalsContact O-N 3.1Å; V248-Q250 VanDerWaalsContact C-N 3.27Å; V248-Q250 PolarHBondContact O-N 2.95Å; Q250-R254 WeakPolarHBondContact O-CG 3.44Å; Q250-R254 PolarHBondContact O-NH1 3.43Å
251I94.6Very high91.2Very high5 Ų556.2 Ų56.23%0.02629%0.288CS..Hα-helixtrans-69.5-51.5173.1-62.7168.1000110.1Y92 D163 A164 P197 V247 V248 L253 R254 R255Y92-I251 HydrophobicContact CD1-CB 4.36Å; Y92-I251 HydrophobicContact CD1-CD1 3.85Å; Y92-I251 HydrophobicContact CD1-CG2 3.55Å; Y92-I251 HydrophobicContact CD2-CD1 4.34Å; Y92-I251 HydrophobicContact CE1-CB 4.25Å; Y92-I251 HydrophobicContact CE1-CG2 3.32Å; Y92-I251 HydrophobicContact CG-CD1 3.72Å; Y92-I251 HydrophobicContact CG-CG2 4.39Å; D163-I251 HydrophobicContact CB-CD1 4.3Å; A164-I251 HydrophobicContact CB-CD1 3.85Å; A164-I251 HydrophobicContact CB-CG1 4Å; P197-I251 HydrophobicContact CG-CB 4.48Å; P197-I251 HydrophobicContact CG-CG1 3.61Å; V247-I251 HydrophobicContact CG1-CD1 3.87Å; V247-I251 HydrophobicContact CG1-CG1 4.43Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.8Å; V248-I251 PolarHBondContact O-N 2.98Å; V248-I251 VanDerWaalsContact O-N 3.16Å; I251-L253 PolarHBondContact O-N 3.15Å; I251-R254 PolarHBondContact O-N 3.06Å; I251-R254 VanDerWaalsContact O-N 3.11Å; I251-R255 HydrophobicContact CG2-CG 4.34Å; I251-R255 PolarHBondContact O-N 2.97Å
252R93.7Very high90.5Very high33 Ų3352.1 Ų52.113%0.12528%0.279CS..Hα-helixtrans-56.2-47.8179.8-71.9-175.9178159.71.8111.6V133 E136 E137 V248 R254 R255 D256V133-R252 PolarHBondContact O-NH1 2.93Å; E136-R252 VanDerWaalsContact CB-NH2 3.31Å; E136-R252 PolarHBondContact O-NH2 2.88Å; E136-R252 IonicContact OE2-CZ 3.49Å; E136-R252 IonicContact OE2-NE 3.35Å; E136-R252 IonicContact OE2-NH1 3.1Å; E136-R252 PolarHBondContact OE2-NH1 2.84Å; E136-R252 IonicContact OE2-NH2 2.73Å; E137-R252 PolarHBondContact O-NH2 3.39Å; E137-R252 VanDerWaalsContact O-NH2 3.08Å; V248-R252 HydrophobicContact CG1-CG 4.36Å; V248-R252 PolarHBondContact O-N 2.81Å; R252-R254 PolarHBondContact O-N 2.67Å; R252-R254 VanDerWaalsContact O-N 3.16Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-R255 VanDerWaalsContact O-N 3.15Å; R252-D256 VanDerWaalsContact O-CG 3.28Å; R252-D256 PolarHBondContact O-N 3.08Å
253L92.4Very high89.7Confident94 Ų9458.8 Ų58.849%0.49230%0.295SS..Hα-helixtrans-54.4-37.9177.2-75.8168.7000113.7R249 I251 S257R249-L253 WeakPolarHBondContact O-CB 3.42Å; R249-L253 WeakPolarHBondContact O-CD1 3.38Å; R249-L253 WeakPolarHBondContact O-CG 3.25Å; R249-L253 PolarHBondContact O-N 2.84Å; I251-L253 PolarHBondContact O-N 3.15Å; L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 2.85Å
254R89.7Confident88.7Confident43 Ų4367.8 Ų67.816%0.16233%0.329CS..Hα-helixtrans-80-37.3-179.9-74.5170.7166.287.2-3.2112.4D195 P197 Q250 I251 R252 S257 K258D195-R254 WeakPolarHBondContact O-CD 3.3Å; D195-R254 IonicContact OD1-CZ 3.39Å; D195-R254 IonicContact OD1-NE 3.34Å; D195-R254 PolarHBondContact OD1-NE 3.21Å; D195-R254 IonicContact OD1-NH2 3.26Å; D195-R254 IonicContact OD2-NE 2.75Å; P197-R254 VanDerWaalsContact CA-CZ 3.49Å; Q250-R254 WeakPolarHBondContact O-CG 3.44Å; Q250-R254 PolarHBondContact O-NH1 3.43Å; I251-R254 PolarHBondContact O-N 3.06Å; I251-R254 VanDerWaalsContact O-N 3.11Å; R252-R254 PolarHBondContact O-N 2.67Å; R252-R254 VanDerWaalsContact O-N 3.16Å; R254-S257 PolarHBondContact O-N 3.43Å; R254-K258 WeakPolarHBondContact O-CB 3.14Å; R254-K258 PolarHBondContact O-N 3.33Å
255R87.1Confident87.6Confident76 Ų7672.2 Ų72.229%0.28735%0.35SS..Hα-helixtrans-60.7-50.7172.9-75-171.4173.4-168.1-0.3110.8S90 I251 R252 S257 K258 E259S90-R255 PolarHBondContact OG-NH1 2.81Å; S90-R255 VanDerWaalsContact OG-NH1 3.11Å; I251-R255 HydrophobicContact CG2-CG 4.34Å; I251-R255 PolarHBondContact O-N 2.97Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-R255 VanDerWaalsContact O-N 3.15Å; R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 3.31Å; R255-K258 WeakPolarHBondContact O-CB 3.17Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-K258 VanDerWaalsContact O-N 3.07Å; R255-E259 PolarHBondContact O-N 2.95Å
256D84.2Confident86.6Confident98 Ų9873.3 Ų73.352%0.52437%0.365SS..Hα-helixtrans-59-42.7179-65.8-12000112R252 K258 E259 A260R252-D256 VanDerWaalsContact O-CG 3.28Å; R252-D256 PolarHBondContact O-N 3.08Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.28Å; D256-E259 PolarHBondContact O-N 3.1Å; D256-A260 VanDerWaalsContact O-CB 3.29Å; D256-A260 WeakPolarHBondContact O-CB 3.31Å; D256-A260 PolarHBondContact O-N 2.8Å
257S82.1Confident85.4Confident78 Ų7874 Ų7455%0.54537%0.372SS..Hα-helixtrans-62.1-41.2177.1-64.40000111.9L253 R254 R255 N261L253-S257 WeakPolarHBondContact O-CB 3.43Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-S257 PolarHBondContact O-OG 2.85Å; R254-S257 PolarHBondContact O-N 3.43Å; R255-S257 VanDerWaalsContact C-N 3.31Å; R255-S257 PolarHBondContact O-N 3.31Å; S257-N261 WeakPolarHBondContact O-CB 3.28Å; S257-N261 PolarHBondContact O-N 3Å
258K81Confident83.9Confident169 Ų16978.6 Ų78.674%0.73540%0.4SS*.Hα-helixtrans-67-44.5177.9-169.7176.9-179-179.60111.3R254 R255 D256 N261 A262R254-K258 WeakPolarHBondContact O-CB 3.14Å; R254-K258 PolarHBondContact O-N 3.33Å; R255-K258 WeakPolarHBondContact O-CB 3.17Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-K258 VanDerWaalsContact O-N 3.07Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-K258 PolarHBondContact O-N 3.28Å; K258-N261 PolarHBondContact O-N 3.17Å; K258-A262 WeakPolarHBondContact O-CB 3.45Å; K258-A262 PolarHBondContact O-N 3.34Å
259E80.8Confident82.2Confident96 Ų9688 Ų8845%0.44944%0.436SS..Hα-helixtrans-63.7-46.2176.5-73.4-171.4-157.700112.5R255 D256 N261 A262 R263R255-E259 PolarHBondContact O-N 2.95Å; D256-E259 PolarHBondContact O-N 3.1Å; E259-N261 VanDerWaalsContact C-N 3.29Å; E259-N261 PolarHBondContact O-N 3.08Å; E259-A262 PolarHBondContact O-N 2.97Å; E259-R263 WeakPolarHBondContact O-CG 3.33Å; E259-R263 PolarHBondContact O-N 2.84Å; E259-R263 IonicContact OE2-NH2 3.62Å; E259-R263 PolarHBondContact OE2-NH2 3.43Å
260A77.2Confident80.4Confident46 Ų4695.4 Ų95.438%0.3846%0.464SS..Hα-helixtrans-59.7-41.5177.200000111.4D256 R264D256-A260 VanDerWaalsContact O-CB 3.29Å; D256-A260 WeakPolarHBondContact O-CB 3.31Å; D256-A260 PolarHBondContact O-N 2.8Å; A260-R264 VanDerWaalsContact O-CG 3.32Å; A260-R264 WeakPolarHBondContact O-CG 3.08Å; A260-R264 PolarHBondContact O-N 3.1Å
261N78.1Confident78.4Confident86 Ų86104.3 Ų104.346%0.4650%0.496SS..Hα-helixtrans-66.6-42.8176-164.914.6000111.8S257 K258 E259 R263 R264 Q265S257-N261 WeakPolarHBondContact O-CB 3.28Å; S257-N261 PolarHBondContact O-N 3Å; K258-N261 PolarHBondContact O-N 3.17Å; E259-N261 VanDerWaalsContact C-N 3.29Å; E259-N261 PolarHBondContact O-N 3.08Å; N261-R263 PolarHBondContact O-N 3.07Å; N261-R264 PolarHBondContact O-N 3.48Å; N261-Q265 WeakPolarHBondContact O-CG 3.38Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-Q265 PolarHBondContact OD1-NE2 3.3Å
262A80.7Confident76.4Confident56 Ų56107.8 Ų107.846%0.46351%0.512SS..Hα-helixtrans-60.4-44.7175.800000112K258 E259 R264 Q265 A266K258-A262 WeakPolarHBondContact O-CB 3.45Å; K258-A262 PolarHBondContact O-N 3.34Å; E259-A262 PolarHBondContact O-N 2.97Å; A262-R264 PolarHBondContact O-N 2.93Å; A262-Q265 PolarHBondContact O-N 3.36Å; A262-A266 WeakPolarHBondContact O-CB 3.2Å; A262-A266 PolarHBondContact O-N 2.83Å
263R81.5Confident74.8Confident179 Ų179109.3 Ų109.368%0.67553%0.527SS*.Hα-helixtrans-61.7-43.2175.6-69.9177.6-166.4-1739111.8E259 N261 A266 G267E259-R263 WeakPolarHBondContact O-CG 3.33Å; E259-R263 PolarHBondContact O-N 2.84Å; E259-R263 IonicContact OE2-NH2 3.62Å; E259-R263 PolarHBondContact OE2-NH2 3.43Å; N261-R263 PolarHBondContact O-N 3.07Å; R263-A266 PolarHBondContact O-N 3.35Å; R263-G267 PolarHBondContact O-N 3.34Å
264R77.8Confident73.3Confident193 Ų193112.1 Ų112.173%0.72854%0.542SS*.Hα-helixtrans-60.8-44.2174.7-74.5175.3-178.2-1772.4112A260 N261 A262 G267 T268A260-R264 VanDerWaalsContact O-CG 3.32Å; A260-R264 WeakPolarHBondContact O-CG 3.08Å; A260-R264 PolarHBondContact O-N 3.1Å; N261-R264 PolarHBondContact O-N 3.48Å; A262-R264 PolarHBondContact O-N 2.93Å; R264-G267 PolarHBondContact O-N 2.85Å; R264-T268 PolarHBondContact O-N 3.21Å; R264-T268 PolarHBondContact O-OG1 3.44Å
265Q75.5Confident72.2Confident94 Ų94112.3 Ų112.344%0.43956%0.558SS.*Hα-helixtrans-66.8-40.1178.2-71-179.136.200112.3N261 A262 G267 T268 R269N261-Q265 WeakPolarHBondContact O-CG 3.38Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-Q265 PolarHBondContact OD1-NE2 3.3Å; A262-Q265 PolarHBondContact O-N 3.36Å; Q265-G267 VanDerWaalsContact C-N 3.35Å; Q265-G267 PolarHBondContact O-N 3.07Å; Q265-T268 PolarHBondContact O-N 3.35Å; Q265-T268 PolarHBondContact O-OG1 2.98Å; Q265-R269 WeakPolarHBondContact O-CG 3.39Å; Q265-R269 PolarHBondContact O-N 2.99Å; Q265-R269 VanDerWaalsContact O-N 3.07Å
266A77Confident71.2Confident59 Ų59115.2 Ų115.249%0.48857%0.572SS.*Hα-helixtrans-62-42.417400000111.8A262 R263 R269 R270A262-A266 WeakPolarHBondContact O-CB 3.2Å; A262-A266 PolarHBondContact O-N 2.83Å; R263-A266 PolarHBondContact O-N 3.35Å; A266-R269 PolarHBondContact O-N 3.15Å; A266-R270 PolarHBondContact O-N 2.91Å
267G72.1Confident70.5Confident37 Ų37116.3 Ų116.338%0.38157%0.572SS.*Hα-helixtrans-62.9-40.7176.400000113.6R263 R264 Q265 R270 R271R263-G267 PolarHBondContact O-N 3.34Å; R264-G267 PolarHBondContact O-N 2.85Å; Q265-G267 VanDerWaalsContact C-N 3.35Å; Q265-G267 PolarHBondContact O-N 3.07Å; G267-R270 PolarHBondContact O-N 2.84Å; G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 3.32Å; G267-R271 VanDerWaalsContact O-N 3.08Å
268T66.9Low70Confident96 Ų96114.9 Ų114.959%0.58957%0.565SS**Hα-helixtrans-68.9-35.7175.954.60000113.2R264 Q265 R271 E272R264-T268 PolarHBondContact O-N 3.21Å; R264-T268 PolarHBondContact O-OG1 3.44Å; Q265-T268 PolarHBondContact O-N 3.35Å; Q265-T268 PolarHBondContact O-OG1 2.98Å; T268-R271 CarbonylContact O-C 3.43Å; T268-R271 PolarHBondContact O-N 3.04Å; T268-E272 PolarHBondContact O-N 3.15Å
269R60.3Low69.7Low199 Ų199115 Ų11575%0.75157%0.565SS**Hα-helixtrans-65.9-39.2173.2-73.9-179.7173-179-0.5112.2Q265 A266 R271 E272Q265-R269 WeakPolarHBondContact O-CG 3.39Å; Q265-R269 PolarHBondContact O-N 2.99Å; Q265-R269 VanDerWaalsContact O-N 3.07Å; A266-R269 PolarHBondContact O-N 3.15Å; R269-R271 VanDerWaalsContact C-N 3.29Å; R269-R271 PolarHBondContact O-N 3.47Å; R269-E272 PolarHBondContact O-N 3.27Å
270R58.9Low69.3Low236 Ų236117.9 Ų117.989%0.89157%0.572SS**Hα-helixtrans-69.6-25175.4-161.3174.8178.6-172.3-0.2112.7A266 G267A266-R270 PolarHBondContact O-N 2.91Å; G267-R270 PolarHBondContact O-N 2.84Å
271R54.6Low69.1Low217 Ų217121.8 Ų121.882%0.81958%0.581SS**THydrogen-bonded Turntrans-97.724.4175.1-93.7174.6114.7176.53.2114.3G267 T268 R269 S273G267-R271 WeakPolarHBondContact O-CB 3.21Å; G267-R271 PolarHBondContact O-N 3.32Å; G267-R271 VanDerWaalsContact O-N 3.08Å; T268-R271 CarbonylContact O-C 3.43Å; T268-R271 PolarHBondContact O-N 3.04Å; R269-R271 VanDerWaalsContact C-N 3.29Å; R269-R271 PolarHBondContact O-N 3.47Å; R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 2.54Å
272E53.3Low68.9Low79 Ų79122.6 Ų122.637%0.36959%0.585SS.*  trans-6592.8161.2-80.7-158.6152.900109T268 R269 K277 R280T268-E272 PolarHBondContact O-N 3.15Å; R269-E272 PolarHBondContact O-N 3.27Å; E272-K277 VanDerWaalsContact OE2-CE 3.3Å; E272-K277 WeakPolarHBondContact OE2-CE 3.48Å; E272-R280 IonicContact OE1-NH1 3.67Å
273S60Low68.4Low64 Ų64122 Ų12245%0.44858%0.584SS.*  trans-59.5145.8176.472.40000110.1R271 G275 K276 K277R271-S273 VanDerWaalsContact C-N 3.25Å; R271-S273 PolarHBondContact O-N 2.54Å; S273-G275 PolarHBondContact O-N 3.5Å; S273-K276 PolarHBondContact O-N 3.24Å; S273-K277 PolarHBondContact O-N 3.07Å
274L61.5Low67.7Low154 Ų154121.7 Ų121.781%0.80658%0.583SS**Hα-helixtrans-46.1-32.8173-76.5162.5000111.8K277 A278L274-K277 PolarHBondContact O-N 3.27Å; L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.07Å; L274-A278 PolarHBondContact O-N 3.47Å
275G65.1Low67.4Low47 Ų47116.1 Ų116.149%0.48557%0.566SS.*Hα-helixtrans-64-38.5174.900000115.1S273 K279S273-G275 PolarHBondContact O-N 3.5Å; G275-K279 WeakPolarHBondContact O-CB 3.49Å; G275-K279 PolarHBondContact O-N 3.38Å
276K66.4Low67Low137 Ų137116.3 Ų116.360%0.59657%0.574SS**Hα-helixtrans-72.9-36.2175.3-76.3-176.8-179.7176.40111.7S273 K279 R280S273-K276 PolarHBondContact O-N 3.24Å; K276-K279 PolarHBondContact O-N 2.94Å; K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.21Å; K276-R280 VanDerWaalsContact O-N 3.08Å
277K70.1Confident66Low121 Ų121116.5 Ų116.553%0.52658%0.576SS.*Hα-helixtrans-64.7-44.7171.9-74.2-177.2177.8176.80111.4E272 S273 L274 R280 F281E272-K277 VanDerWaalsContact OE2-CE 3.3Å; E272-K277 WeakPolarHBondContact OE2-CE 3.48Å; S273-K277 PolarHBondContact O-N 3.07Å; L274-K277 PolarHBondContact O-N 3.27Å; K277-R280 PolarHBondContact O-N 3.14Å; K277-F281 WeakPolarHBondContact O-CB 2.99Å; K277-F281 PolarHBondContact O-N 2.98Å
278A70.5Confident65.4Low47 Ų47124.5 Ų124.539%0.38859%0.594SS.*Hα-helixtrans-62.6-41.5175.300000112.1L274 R280 F281 L282L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.07Å; L274-A278 PolarHBondContact O-N 3.47Å; A278-R280 PolarHBondContact O-N 3.47Å; A278-F281 PolarHBondContact O-N 3.48Å; A278-L282 WeakPolarHBondContact O-CB 3.17Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å
279K74.8Confident64.7Low171 Ų171126.4 Ų126.474%0.74360%0.601SS**Hα-helixtrans-64.8-39.3176.9-164.7172.3-174.9175.20112.6G275 K276 G283G275-K279 WeakPolarHBondContact O-CB 3.49Å; G275-K279 PolarHBondContact O-N 3.38Å; K276-K279 PolarHBondContact O-N 2.94Å; K279-G283 PolarHBondContact O-N 3.17Å
280R73.6Confident64.2Low157 Ų157119.8 Ų119.859%0.59259%0.585SS**Hα-helixtrans-68.3-36.6173.2-72178.1103.7175.14.5112.1E272 K276 K277 A278 R284E272-R280 IonicContact OE1-NH1 3.67Å; K276-R280 WeakPolarHBondContact O-CG 3.38Å; K276-R280 PolarHBondContact O-N 3.21Å; K276-R280 VanDerWaalsContact O-N 3.08Å; K277-R280 PolarHBondContact O-N 3.14Å; A278-R280 PolarHBondContact O-N 3.47Å; R280-R284 PolarHBondContact O-N 2.93Å; R280-R284 VanDerWaalsContact O-N 3.1Å
281F73.2Confident63.9Low128 Ų128119 Ų11956%0.56158%0.582SS**Hα-helixtrans-67-48.6176.2-175.9-105.1000111.8K277 A278 G283 R284 I285K277-F281 WeakPolarHBondContact O-CB 2.99Å; K277-F281 PolarHBondContact O-N 2.98Å; A278-F281 PolarHBondContact O-N 3.48Å; F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.84Å; F281-R284 PolarHBondContact O-N 3.05Å; F281-R284 VanDerWaalsContact O-N 3.15Å; F281-I285 HydrophobicContact CD1-CD1 3.64Å; F281-I285 HydrophobicContact CE1-CD1 3.21Å; F281-I285 HydrophobicContact CE1-CG1 4.34Å; F281-I285 HydrophobicContact CE2-CD1 4.4Å; F281-I285 HydrophobicContact CG-CD1 4.41Å; F281-I285 HydrophobicContact CZ-CD1 3.64Å; F281-I285 HydrophobicContact CZ-CG1 4.5Å; F281-I285 WeakPolarHBondContact O-CG1 3.2Å; F281-I285 PolarHBondContact O-N 3.27Å
282L72.6Confident63.6Low103 Ų103118.1 Ų118.154%0.53958%0.584SS.*Hα-helixtrans-61.7-40.1174.7-71.1169.2000111.5A278 R284 I285 V286A278-L282 WeakPolarHBondContact O-CB 3.17Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.45Å; A278-L282 PolarHBondContact O-N 3.14Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.23Å; L282-I285 PolarHBondContact O-N 3.15Å; L282-I285 VanDerWaalsContact O-N 3.17Å; L282-V286 WeakPolarHBondContact O-CB 3.43Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.8Å
283G69.8Low63.3Low43 Ų43122.4 Ų122.444%0.44361%0.606SS.*Hα-helixtrans-58.9-39.8173.400000113.3K279 F281 A287K279-G283 PolarHBondContact O-N 3.17Å; F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.84Å; G283-A287 VanDerWaalsContact O-CB 3.26Å; G283-A287 WeakPolarHBondContact O-CB 3.29Å; G283-A287 PolarHBondContact O-N 3.13Å
284R68.2Low62.8Low174 Ų174123.7 Ų123.766%0.65762%0.621SS**Hα-helixtrans-69.6-35.9174.1-75179.1-168.9147.10.8112.9R280 F281 L282 R288R280-R284 PolarHBondContact O-N 2.93Å; R280-R284 VanDerWaalsContact O-N 3.1Å; F281-R284 PolarHBondContact O-N 3.05Å; F281-R284 VanDerWaalsContact O-N 3.15Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.23Å; R284-R288 VanDerWaalsContact O-CB 3.28Å; R284-R288 WeakPolarHBondContact O-CB 3.31Å; R284-R288 PolarHBondContact O-N 2.99Å; R284-R288 VanDerWaalsContact O-N 3.13Å
285I70.1Confident62Low75 Ų75125.7 Ų125.739%0.38562%0.623SS.*Hα-helixtrans-68.9-46.1177-70.1174000110.6F281 L282 A287 R288 N289F281-I285 HydrophobicContact CD1-CD1 3.64Å; F281-I285 HydrophobicContact CE1-CD1 3.21Å; F281-I285 HydrophobicContact CE1-CG1 4.34Å; F281-I285 HydrophobicContact CE2-CD1 4.4Å; F281-I285 HydrophobicContact CG-CD1 4.41Å; F281-I285 HydrophobicContact CZ-CD1 3.64Å; F281-I285 HydrophobicContact CZ-CG1 4.5Å; F281-I285 WeakPolarHBondContact O-CG1 3.2Å; F281-I285 PolarHBondContact O-N 3.27Å; L282-I285 PolarHBondContact O-N 3.15Å; L282-I285 VanDerWaalsContact O-N 3.17Å; I285-A287 PolarHBondContact O-N 3Å; I285-R288 PolarHBondContact O-N 3.35Å; I285-R288 VanDerWaalsContact O-N 3.12Å; I285-N289 PolarHBondContact O-N 3.19Å
286V67.1Low61.2Low99 Ų99134.1 Ų134.160%0.664%0.64SS**Hα-helixtrans-63.6-42.5178.8173.80000110.8L282 R288 N289 S290L282-V286 WeakPolarHBondContact O-CB 3.43Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.44Å; L282-V286 PolarHBondContact O-N 2.8Å; V286-R288 PolarHBondContact O-N 2.88Å; V286-N289 PolarHBondContact O-N 3.45Å; V286-S290 WeakPolarHBondContact O-CB 3.48Å; V286-S290 PolarHBondContact O-N 3.18Å; V286-S290 PolarHBondContact O-OG 3.35Å
287A57.3Low60Low63 Ų63132.7 Ų132.752%0.52165%0.654SS.*Hα-helixtrans-65.1-25.4174.900000113.7G283 I285 S290G283-A287 VanDerWaalsContact O-CB 3.26Å; G283-A287 WeakPolarHBondContact O-CB 3.29Å; G283-A287 PolarHBondContact O-N 3.13Å; I285-A287 PolarHBondContact O-N 3Å; A287-S290 WeakPolarHBondContact CA-OG 3.21Å; A287-S290 PolarHBondContact O-OG 3.31Å
288R58.3Low58.6Low204 Ų204136 Ų13677%0.7767%0.669SS**Hα-helixtrans-84.2-29.7177.1-157.4169.5-179.8155.2-0.8111.8R284 I285 V286R284-R288 VanDerWaalsContact O-CB 3.28Å; R284-R288 WeakPolarHBondContact O-CB 3.31Å; R284-R288 PolarHBondContact O-N 2.99Å; R284-R288 VanDerWaalsContact O-N 3.13Å; I285-R288 PolarHBondContact O-N 3.35Å; I285-R288 VanDerWaalsContact O-N 3.12Å; V286-R288 PolarHBondContact O-N 2.88Å
289N52.4Low57.5Low136 Ų136139.3 Ų139.373%0.72769%0.689SS**Hα-helixtrans-83.4-17.8175.4-110.612.5000114.1I285 V286 R291I285-N289 PolarHBondContact O-N 3.19Å; V286-N289 PolarHBondContact O-N 3.45Å; N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 3.47Å
290S51.5Low55.9Low60 Ų60140.9 Ų140.942%0.4270%0.696SS.*G310 helixtrans-80.20.8178.255.10000114.9V286 A287 K292 M293V286-S290 WeakPolarHBondContact O-CB 3.48Å; V286-S290 PolarHBondContact O-N 3.18Å; V286-S290 PolarHBondContact O-OG 3.35Å; A287-S290 WeakPolarHBondContact CA-OG 3.21Å; A287-S290 PolarHBondContact O-OG 3.31Å; S290-K292 PolarHBondContact O-N 3.37Å; S290-K292 VanDerWaalsContact O-N 3.1Å; S290-M293 PolarHBondContact O-N 3.37Å; S290-M293 VanDerWaalsContact O-N 3.09Å
291R52.1Low54.3Low219 Ų219138.7 Ų138.783%0.82670%0.704SS**G310 helixtrans-61.5-14.2170.3-82.1-173.8-175.51730.5113.8N289N289-R291 VanDerWaalsContact C-N 3.29Å; N289-R291 PolarHBondContact O-N 3.47Å
292K48Very low53.4Low200 Ų200137.9 Ų137.987%0.8771%0.713SS**G310 helixtrans-99.43.3174.7-73.9-173.1176.4-178.70115S290S290-K292 PolarHBondContact O-N 3.37Å; S290-K292 VanDerWaalsContact O-N 3.1Å
293M47.8Very low52Low169 Ų169141.9 Ų141.983%0.83373%0.729SS**SBendtrans-121.319.7177.6-72.5-66.6-171.300113.7S290 F295S290-M293 PolarHBondContact O-N 3.37Å; S290-M293 VanDerWaalsContact O-N 3.09Å; M293-F295 PolarHBondContact O-N 2.89Å
294A48.2Very low50.7Low90 Ų90146.8 Ų146.874%0.74475%0.745SS**  trans-86.520.217500000113.8
295F45.6Very low49.7Very low197 Ų197145.9 Ų145.986%0.86475%0.752SS**SBendtrans-13767.1179.4-146.1-87000111.5M293M293-F295 PolarHBondContact O-N 2.89Å
296R48.7Very low48.4Very low224 Ų224147.5 Ų147.585%0.84577%0.77SS**  trans168.683.3147.4-94.7165.185.1169.25.5110
297A41.3Very low47.1Very low107 Ų107149.1 Ų149.188%0.88478%0.78SS**  trans-13389.1145.600000105.9
298K38.8Very low46.5Very low191 Ų191157.6 Ų157.683%0.8382%0.815SS**  trans-66.1141.4178.9-80.3177.6170.6-178.10110
299S47.6Very low45.9Very low115 Ų115155.3 Ų155.380%0.80482%0.817SS**  trans-44.7142.7169.1-43.50000114.9
300K41.5Very low45.5Very low205 Ų205156.3 Ų156.389%0.89182%0.822SS**  trans-147.993.5146.4-71.1-170.2177.1-179.20105.4
301S40.3Very low45.2Very low110 Ų110161.6 Ų161.677%0.76984%0.844SS**  50110.984.9-168.70000113.7
302C54.5Low44.8Very low111 Ų111158.2 Ų158.275%0.7585%0.845SS**  trans13.7130156.5-51.40000119.7
303H43.7Very low44.6Very low188 Ų188155.6 Ų155.687%0.8784%0.844SS**  trans173.4131139.4-88.582.7000103
304D42.3Very low44.4Very low146 Ų146154.7 Ų154.778%0.78185%0.845SS**  cis-165.7163.918-160.5-3.5000108.3
305L46.2Very low44.1Very low155 Ų155159.4 Ų159.481%0.81285%0.852SS**  trans-80.3171.8180-75.7155000113.3
306S43.2Very low44Very low108 Ų108156.5 Ų156.576%0.75585%0.851SS**  trans104.810316473.30000115.7
307V39.2Very low43.6Very low134 Ų134150.8 Ų150.881%0.81285%0.851SS**  71106.180.51790000112.8
308L44.3Very low43.8Very low240 Ų240154.8 Ų154.8100%1.25785%0.848SS**  -161.90106-93.1172.6000109.9

Retrieved 308 of 308 residues in 79.9 ms (Link to these results)