A0A087YQS8_POEFO Loading...

C2 calcium dependent domain containing 4C

AlphaFold DB , UniProt , Accession A0A087YQS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.1Low47.3Very low231 Ų231155.4 Ų155.4100%1.13881%0.805SS**  0112.10-83.4171.9-80.400108.1
2W51.5Low46.9Very low247 Ų247158.3 Ų158.394%0.93681%0.812SS**  trans151.3-3.4156.3-115.647.9000114.5
3V50.2Low46.4Very low129 Ų129156.1 Ų156.178%0.78281%0.81SS**SBendtrans-113.9-4.8174.3-174.90000112.7
4L46.8Very low45.6Very low144 Ų144157.1 Ų157.175%0.75482%0.818SS**SBendtrans-96.73.1-178.1-68.7173.5000114.8R8L4-R8 PolarHBondContact O-NH2 3.23Å
5D45.8Very low44.9Very low116 Ų116155.4 Ų155.462%0.6282%0.816SS**SBendtrans-104.6-2.3-179.6-93.1-31.4000115.1R8D5-R8 IonicContact OD1-CZ 2.79Å; D5-R8 IonicContact OD1-NE 3.5Å; D5-R8 IonicContact OD1-NH2 3.56Å; D5-R8 PolarHBondContact OD1-NH2 3.29Å
6K50.1Low44.2Very low203 Ų203154.7 Ų154.788%0.88381%0.812SS**SBendtrans-98.12.6179.3-126.6178.8-177.3-178.20115.2
7I50Low43.7Very low146 Ų146157.6 Ų157.675%0.74981%0.81SS**SBendtrans-102.1-4.3174.5-55176.2000111.1G9I7-G9 PolarHBondContact O-N 2.72Å
8R45.6Very low43Very low182 Ų182159.2 Ų159.269%0.68781%0.813SS**THydrogen-bonded Turntrans-96.729.1-179.4-154.6-165.5-37.9-76.1-6.2113.7L4 D5L4-R8 PolarHBondContact O-NH2 3.23Å; D5-R8 IonicContact OD1-CZ 2.79Å; D5-R8 IonicContact OD1-NE 3.5Å; D5-R8 IonicContact OD1-NH2 3.56Å; D5-R8 PolarHBondContact OD1-NH2 3.29Å
9G44.6Very low42.4Very low75 Ų75154.5 Ų154.577%0.77381%0.808SS**THydrogen-bonded Turntrans-126.24.6-176.800000115I7I7-G9 PolarHBondContact O-N 2.72Å
10S39.9Very low42Very low107 Ų107153.8 Ų153.875%0.74881%0.805SS**SBendtrans-135.339.4-178.8-1680000111.8
11V42.9Very low41.5Very low129 Ų129153.2 Ų153.278%0.78280%0.803SS**SBendtrans-133.674.7166.6174.20000105.4
12E41.9Very low40.6Very low190 Ų190145.4 Ų145.489%0.88878%0.782SS**SBendtrans179.253.7165.4-103.1166.9-14500110.2
13T40.7Very low39.9Very low130 Ų130140.8 Ų140.880%0.79878%0.776SS**  trans-156.465.2161.131.30000108.7
14N35.1Very low39.4Very low170 Ų170146.1 Ų146.191%0.90978%0.781SS**  trans-155.882.2158.4-104.6-31.1000108.5
15V35.8Very low39.1Very low132 Ų132149.4 Ų149.480%0.879%0.79SS**  trans-115.3130.2160.7174.30000106.9
16L33.7Very low38.6Very low144 Ų144148.7 Ų148.775%0.75480%0.8SS**  trans85.495166.5-115.581.1000117.9
17R34.5Very low38.2Very low205 Ų205143.9 Ų143.977%0.77480%0.798SS**  163.114492.8-89.9-164.2163.4-172.9-3.6112.6
18Q32Very low37.8Very low186 Ų186141.9 Ų141.987%0.86980%0.804SS**  trans67.4129.4154.7-103.7151.2-35.400117
19G31.6Very low37.9Very low69 Ų69137.6 Ų137.671%0.71181%0.807SS**  cis156.1128.76.700000107.4
20D33.6Very low38.5Very low140 Ų140138.9 Ų138.975%0.74980%0.802SS**  trans80.8128.7149-150.535.3000122.9
21N32.8Very low39.1Very low143 Ų143144.1 Ų144.177%0.76581%0.806SS**  trans70116.7148.1-82.3-29.1000124.4
22G32.7Very low39.3Very low67 Ų67142.9 Ų142.969%0.69180%0.804SS**  108.883.9110.900000119.8
23D37.8Very low40Very low150 Ų150141.3 Ų141.380%0.80280%0.802SS**  43.2104127.7-85.7-11.1000121.7
24R38.5Very low40.5Very low240 Ų240140.4 Ų140.491%0.90680%0.796SS**  156.4137105.4-88175.2-167.6-164.45.4114.1
25K41.6Very low41.5Very low213 Ų213139.7 Ų139.793%0.92679%0.791SS**  trans-38.1135.2171.5-84.6173.2164.7176.30116
26A35.6Very low42.5Very low102 Ų102137.5 Ų137.584%0.84378%0.778SS**  trans-149.1135.3134.100000109.9
27A41.7Very low43.5Very low102 Ų102136.7 Ų136.784%0.84378%0.781SS**PPolyproline II helixtrans-63.9137.7-174.700000112.5A29A27-A29 PolarHBondContact O-N 2.82Å
28A41.6Very low44.6Very low104 Ų104134.2 Ų134.286%0.8678%0.783SS**PPolyproline II helixtrans-72.6120.2172.800000110.3
29A46.5Very low45.9Very low91 Ų91133.4 Ų133.475%0.75278%0.777SS**PPolyproline II helixtrans-80.3142.516400000109.6A27A27-A29 PolarHBondContact O-N 2.82Å
30P58.4Low47.6Very low103 Ų103137.4 Ų137.467%0.66978%0.78SS**SBendtrans-78.6140.8178.233.8-31.3000109.4
31Y51.5Low48.9Very low216 Ų216134.5 Ų134.585%0.84777%0.769SS**  trans79.390175.2-47.2-75.2000116.8
32S48.2Very low50.4Low104 Ų104135.5 Ų135.573%0.72778%0.775SS**  trans-109.686156.872.90000110.1V34S32-V34 PolarHBondContact O-N 2.96Å; S32-V34 VanDerWaalsContact O-N 3.1Å
33N56.4Low51.9Low157 Ų157141.3 Ų141.384%0.8478%0.781SS**  trans-81.465.1160-76.8-25.6000108.7
34V50.4Low53.3Low111 Ų111142.5 Ų142.567%0.67378%0.78SS**  trans-107.3102.5172.1-178.40000106.8S32 T36S32-V34 PolarHBondContact O-N 2.96Å; S32-V34 VanDerWaalsContact O-N 3.1Å; V34-T36 PolarHBondContact O-N 2.74Å
35L57.7Low54.9Low155 Ų155138 Ų13881%0.81277%0.772SS**  trans-64.1104167.2-88.4102.4000108
36T55.2Low55.5Low85 Ų85132.3 Ų132.352%0.52176%0.757SS.*  trans-77.3140.9158.944.40000108V34 D38V34-T36 PolarHBondContact O-N 2.74Å; T36-D38 PolarHBondContact O-N 3.42Å
37P54.7Low56.9Low128 Ų128132.5 Ų132.583%0.83175%0.749SS**THydrogen-bonded Turntrans-64-10.1-172.7-20.231.8000115.2
38D57.4Low57.4Low152 Ų152137 Ų13781%0.81375%0.75SS**THydrogen-bonded Turntrans-112.813.3-168.4-75.5-36.4000115.4T36T36-D38 PolarHBondContact O-N 3.42Å
39K60.8Low57.7Low170 Ų170140 Ų14074%0.73975%0.751SS**  trans-136.995.8168.5-68.8-167.9-179.4-170.30110.4P41K39-P41 WeakPolarHBondContact O-CD 3.11Å
40I67.4Low57.7Low152 Ų152142.1 Ų142.178%0.77975%0.754SS**  trans-58.6123.6168.3-61.2170.6000107.1D42I40-D42 PolarHBondContact O-N 2.91Å
41P59.3Low56.8Low79 Ų79142.6 Ų142.651%0.51376%0.76SS.*  trans-61.5127.9172-18.730.3000109.5K39 F43K39-P41 WeakPolarHBondContact O-CD 3.11Å; P41-F43 PolarHBondContact O-N 3.36Å
42D64.2Low56.1Low165 Ų165137.5 Ų137.588%0.88275%0.754SS**  trans-61.7109.2178-79.5-32.4000110.2I40 F44I40-D42 PolarHBondContact O-N 2.91Å; D42-F44 PolarHBondContact O-N 3Å
43F64.4Low55.8Low189 Ų189138.4 Ų138.483%0.82976%0.758SS**  trans-81.3110.9174.3-100.2-95.2000109.7P41 I45P41-F43 PolarHBondContact O-N 3.36Å; F43-I45 PolarHBondContact O-N 2.91Å
44F67.4Low55.1Low175 Ų175136.9 Ų136.977%0.76876%0.757SS**  trans-78.8111.1171.7-168-97.6000110.2D42 P46D42-F44 PolarHBondContact O-N 3Å; F44-P46 WeakPolarHBondContact O-CD 3.49Å
45I72.3Confident54.5Low145 Ų145140.2 Ų140.274%0.74477%0.765SS**  trans-89.5115.1172.2-58.7174.4000107.8F43F43-I45 PolarHBondContact O-N 2.91Å
46P54.6Low53.7Low93 Ų93138.6 Ų138.660%0.60476%0.764SS**PPolyproline II helixtrans-60.6136177.4-20.832000111.1F44F44-P46 WeakPolarHBondContact O-CD 3.49Å
47P65.5Low52.6Low106 Ų106143.3 Ų143.369%0.68878%0.78SS**PPolyproline II helixtrans-64.1142.3177.725.2-31.9000110.9L49P47-L49 PolarHBondContact O-N 3.1Å
48K50.7Low51.8Low198 Ų198141.5 Ų141.586%0.86178%0.775SS**PPolyproline II helixtrans-66.4127.1178.5-65-176.7179.7176.70109.7V50K48-V50 PolarHBondContact O-N 2.99Å
49L49.3Very low51Low166 Ų166140.6 Ų140.687%0.86978%0.778SS**PPolyproline II helixtrans-58116.8171.4-61.8173.9000109.3P47P47-L49 PolarHBondContact O-N 3.1Å
50V45.1Very low49.8Very low136 Ų136137.6 Ų137.682%0.82478%0.778SS**  trans-81.6113.9170.4178.60000107.4K48K48-V50 PolarHBondContact O-N 2.99Å
51S40.8Very low48.3Very low113 Ų113138.8 Ų138.879%0.7978%0.784SS**  trans-99.483174.3-57.70000109.9
52C35.7Very low47.1Very low108 Ų108144.4 Ų144.473%0.7380%0.801SS**  trans-157.7123.4161.7-86.50000109.5
53P43.6Very low46.2Very low124 Ų124142.2 Ų142.281%0.80580%0.795SS**PPolyproline II helixtrans-78.7147.1167.325.3-18.7000110.8
54P41Very low44.6Very low125 Ų125142.3 Ų142.381%0.81280%0.796SS**PPolyproline II helixtrans-78133.8177.829.8-31.9000112.1
55E37.3Very low42.7Very low180 Ų180142.6 Ų142.684%0.84180%0.799SS**PPolyproline II helixtrans-80130.3165.6-157.6-173.8-157.400109
56P40.5Very low40.7Very low122 Ų122138.9 Ų138.979%0.79280%0.797SS**PPolyproline II helixtrans-90.5117.1175.530.8-29.3000111.9
57E33.3Very low39.6Very low184 Ų184143.1 Ų143.186%0.8681%0.813SS**PPolyproline II helixtrans-83126.3164.3-77.8-149.8152.400112.2
58A38.1Very low37.9Very low89 Ų89146.3 Ų146.374%0.73682%0.819SS**  trans47.7148.9142.200000122.5
59P40.7Very low37.7Very low133 Ų133142.2 Ų142.286%0.86481%0.813SS**  -132.3152.4113.934.4-22.8000114.9
60S35.1Very low36.8Very low108 Ų108139.1 Ų139.176%0.75581%0.805SS**  trans-70.5141.4-174.854.20000116.6
61I34.8Very low36.1Very low177 Ų177138.6 Ų138.691%0.90880%0.802SS**  trans-151.9148.1141.8-56.9-171.3000110.9
62K34.5Very low35.8Very low197 Ų197138.5 Ų138.586%0.85780%0.802SS**  trans-64.1177.3-168.3-89.8-177.2-176.5179.30119.5
63P45.5Very low35.7Very low118 Ų118142.1 Ų142.177%0.76681%0.808SS**  trans-103.4165.4-141.841.3-36000115.7
64K31.8Very low35.4Very low192 Ų192145.1 Ų145.184%0.83581%0.811SS**  trans-161.9133.2153-122.5179.6177.1-174.70114.8
65E27.8Very low35Very low180 Ų180144.9 Ų144.984%0.84181%0.808SS**  trans-0.7144.7154.7-62.9165148.300120.9
66G28.9Very low34.7Very low67 Ų67143.5 Ų143.569%0.69180%0.804SS**  trans147.198142.500000117.8
67L31.4Very low34.2Very low182 Ų182142.3 Ų142.395%0.95380%0.799SS**  trans73.2128.6135.1-60.1163.8000121.4
68Q30.2Very low34Very low174 Ų174138.5 Ų138.581%0.81379%0.793SS**  trans-65-161.8170.1-69.9-91.74.900113.3
69P46.7Very low33.7Very low112 Ų112140 Ų14073%0.72779%0.792SS**  -120.3-167.6-80.336.9-18.5000110.1
70S29.3Very low33.3Very low100 Ų100143.9 Ų143.970%0.69979%0.79SS**  trans149.5107.8148.8-173.50000111.1
71T31.3Very low33.1Very low126 Ų126147.2 Ų147.277%0.77379%0.791SS**  68.2130.788.277.70000117.6
72S34.6Very low33.2Very low111 Ų111146.6 Ų146.678%0.77679%0.788SS**  trans137.7103.6146.666.60000110.2
73E32.9Very low33.1Very low184 Ų184142.1 Ų142.186%0.8678%0.781SS**  52.4117.773.1-72.5-156.4141.100116.3
74Q38.6Very low32.6Very low186 Ų186141.3 Ų141.387%0.86978%0.779SS**  trans161.9103136.9-88.6172.821.200109.3
75T30.9Very low33Very low121 Ų121138.7 Ų138.774%0.74278%0.781SS**  67.9125.876.9-23.20000116.4
76I32.5Very low33.3Very low150 Ų150141.4 Ų141.477%0.76978%0.784SS**  trans100.5117.4148.5-41.4-176.8000120.1
77S29Very low33.5Very low98 Ų98143 Ų14369%0.68578%0.784SS**  trans-25.3151.8163.3570000121.1
78S29.2Very low34Very low104 Ų104140.7 Ų140.773%0.72778%0.78SS**  173.1144.4103.742.10000115.7
79T31.6Very low34.3Very low119 Ų119143.8 Ų143.873%0.7378%0.784SS**  trans76.6113.7148.648.90000124.1
80R31.9Very low33.9Very low216 Ų216146.7 Ų146.782%0.81579%0.793SS**  81.2129.2125.2-77.3-171.7-163.9-1665.2122.4
81K32.5Very low34.5Very low177 Ų177148.6 Ų148.677%0.7780%0.8SS**  trans97.3102.9140.4-71.8170.3-175.3-169.60120.8
82I36.9Very low35.1Very low165 Ų165147.2 Ų147.285%0.84680%0.801SS**  13.2119.2126.8-58.5158.4000117.8
83S32.4Very low35.7Very low103 Ų103151.2 Ų151.272%0.7280%0.804SS**  159130.2112.362.80000114.4
84S34.4Very low36.2Very low101 Ų101149.7 Ų149.771%0.70680%0.801SS**  trans33.7132.2152.162.40000122.6R86S84-R86 PolarHBondContact O-N 3.37Å
85P39.5Very low36.8Very low137 Ų137146.2 Ų146.289%0.8980%0.804SS**PPolyproline II helixtrans-80.5121.2167.832.2-29.1000111.3
86R33.9Very low37.9Very low237 Ų237143.2 Ų143.289%0.89480%0.797SS**PPolyproline II helixtrans-99.9140.2170.9-166.9173.3-176.5166.11.2108.9S84S84-R86 PolarHBondContact O-N 3.37Å
87S34.7Very low39Very low101 Ų101140.7 Ų140.771%0.70679%0.785SS**PPolyproline II helixtrans-48.8148.4-179390000115.2
88P40.4Very low40.4Very low133 Ų133141.5 Ų141.586%0.86479%0.786SS**PPolyproline II helixtrans-76.2129.4176.929.9-30.7000111.1
89R36.4Very low41.7Very low238 Ų238145 Ų14590%0.89879%0.788SS**PPolyproline II helixtrans-81.2127-179.5-168176.2-1731660.4109.5V91R89-V91 PolarHBondContact O-N 2.65Å
90L39.8Very low42.9Very low174 Ų174144.2 Ų144.291%0.91178%0.779SS**PPolyproline II helixtrans-69.6124.1170.1-81.6165.2000109.8
91V42.2Very low44.3Very low140 Ų140140 Ų14085%0.84877%0.772SS**PPolyproline II helixtrans-82.5125.4172.1179.40000108.4R89R89-V91 PolarHBondContact O-N 2.65Å
92A43.4Very low45.6Very low96 Ų96137.4 Ų137.479%0.79377%0.766SS**PPolyproline II helixtrans-72.4122.1175.400000111
93K46.3Very low46.6Very low195 Ų195139 Ų13985%0.84876%0.762SS**  trans-158.7110.4153.3-139.3-179.4-176.4-179.10107.3
94I44.5Very low47.9Very low152 Ų152137.1 Ų137.178%0.77975%0.752SS**  trans179.994.4145.9-81.9142.7000104.6
95A50.6Low49.1Very low113 Ų113135.8 Ų135.893%0.93475%0.747SS**  trans-82.4113.3155.400000105.3
96G53.2Low49.8Very low58 Ų58133.9 Ų133.960%0.59873%0.73SS**SBendtrans178.1-30.8-179.600000118.5
97D55.5Low51Low97 Ų97132.5 Ų132.552%0.51972%0.724SS.*  trans-135.832.3-162.4-76.1-54.8000116.5K99 N100 L101D97-K99 PolarHBondContact O-N 3.03Å; D97-N100 PolarHBondContact O-N 2.97Å; D97-N100 PolarHBondContact OD1-ND2 3.45Å; D97-N100 VanDerWaalsContact OD1-ND2 3.17Å; D97-L101 PolarHBondContact O-N 3.29Å
98T58.5Low51.9Low115 Ų115135.7 Ų135.771%0.70673%0.728SS**Hα-helixtrans-67.5-21.5179.4560000113.9
99K57.1Low52.8Low179 Ų179135 Ų13578%0.77872%0.715SS**Hα-helixtrans-80.7-29.5177.9-69.8-178.1178.1178.90113.3D97D97-K99 PolarHBondContact O-N 3.03Å
100N57.5Low53.8Low101 Ų101130.8 Ų130.854%0.5471%0.71SS.*Hα-helixtrans-81.6-31.9-179.7-68.9-35.9000111.8D97 R103 A104D97-N100 PolarHBondContact O-N 2.97Å; D97-N100 PolarHBondContact OD1-ND2 3.45Å; D97-N100 VanDerWaalsContact OD1-ND2 3.17Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-A104 PolarHBondContact O-N 3.39Å
101L61Low54.2Low128 Ų128131.2 Ų131.267%0.6771%0.707SS**Hα-helixtrans-67.2-39.8176.3-158.880000112.5D97 R103 A104 A105D97-L101 PolarHBondContact O-N 3.29Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 2.91Å; L101-A104 PolarHBondContact O-N 3.13Å; L101-A105 PolarHBondContact O-N 2.98Å
102L59.1Low54.5Low123 Ų123132 Ų13264%0.64471%0.705SS**Hα-helixtrans-65.5-33.3175.2-116.181.7000112.3N106L102-N106 PolarHBondContact O-N 2.99Å; L102-N106 PolarHBondContact O-ND2 2.91Å
103R58.1Low54.6Low199 Ų199135.9 Ų135.975%0.75171%0.706SS**Hα-helixtrans-73.8-33.2175.7-119-178-172.4-170.72.3112.4N100 L101N100-R103 PolarHBondContact O-N 3.28Å; L101-R103 VanDerWaalsContact C-N 3.3Å; L101-R103 PolarHBondContact O-N 2.91Å
104A60.2Low54.9Low62 Ų62131.2 Ų131.251%0.51270%0.698SS.*Hα-helixtrans-69.6-37.9174.100000112.1N100 L101 N106N100-A104 PolarHBondContact O-N 3.39Å; L101-A104 PolarHBondContact O-N 3.13Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 3.49Å
105A58.7Low55.1Low74 Ų74128.5 Ų128.561%0.61270%0.699SS**Hα-helixtrans-69.7-23.6177.500000113.8L101L101-A105 PolarHBondContact O-N 2.98Å
106N54.8Low54.9Low97 Ų97129.6 Ų129.652%0.51969%0.689SS.*G310 helixtrans-89.92.9-178.8-83.8-69.5000114.9L102 A104 H108 I109L102-N106 PolarHBondContact O-N 2.99Å; L102-N106 PolarHBondContact O-ND2 2.91Å; A104-N106 VanDerWaalsContact C-N 3.31Å; A104-N106 PolarHBondContact O-N 3.49Å; N106-H108 VanDerWaalsContact C-N 3.32Å; N106-I109 WeakPolarHBondContact OD1-CD1 3.49Å
107R59.3Low54.7Low207 Ų207134.3 Ų134.378%0.78170%0.7SS**G310 helixtrans-82.5-6.4177.5-71.5-178.166.585.30.4114.3
108H54.3Low54.2Low169 Ų169136.4 Ų136.478%0.78272%0.716SS**G310 helixtrans-133.946.8-177.9-70.2-66.9000112.6N106N106-H108 VanDerWaalsContact C-N 3.32Å
109I58.4Low53.6Low117 Ų117137.1 Ų137.160%0.672%0.72SS**  trans-86.7109.3161.7-60.7176.2000106.1N106 Q111N106-I109 WeakPolarHBondContact OD1-CD1 3.49Å; I109-Q111 PolarHBondContact O-N 3.34Å; I109-Q111 VanDerWaalsContact O-N 3.08Å
110I57.6Low53.4Low151 Ų151133.5 Ų133.577%0.77472%0.723SS**  trans-69104.9166.6-62173.6000105.5I112I110-I112 HydrophobicContact CG2-CG1 4.49Å; I110-I112 PolarHBondContact O-N 3.48Å
111Q47.7Very low52.7Low183 Ų183131.2 Ų131.286%0.85572%0.724SS**  trans-72.9106171.6-147172.3-16.600106.3I109 E113I109-Q111 PolarHBondContact O-N 3.34Å; I109-Q111 VanDerWaalsContact O-N 3.08Å; Q111-E113 PolarHBondContact O-N 3.16Å
112I48.7Very low52.7Low157 Ų157132.3 Ų132.381%0.80573%0.73SS**  trans-80.8100.3173.5-40.8173.9000105.3I110I110-I112 HydrophobicContact CG2-CG1 4.49Å; I110-I112 PolarHBondContact O-N 3.48Å
113E46Very low52.7Low177 Ų177131.7 Ų131.783%0.82773%0.732SS**  trans-65.9131.5168.9-167.6167-162.800108.3Q111 A115Q111-E113 PolarHBondContact O-N 3.16Å; E113-A115 PolarHBondContact O-N 3.41Å; E113-A115 VanDerWaalsContact O-N 3.1Å
114S51.8Low52.8Low96 Ų96125 Ų12567%0.67171%0.711SS**  trans-62.5110178.1-1600000108.5D116S114-D116 PolarHBondContact O-N 3.45Å; S114-D116 PolarHBondContact OG-OD2 2.88Å
115A49.1Very low52.8Low96 Ų96126.6 Ų126.679%0.79372%0.724SS**  trans-80.370.1174.900000109.9E113E113-A115 PolarHBondContact O-N 3.41Å; E113-A115 VanDerWaalsContact O-N 3.1Å
116D47.6Very low53.4Low135 Ų135126.4 Ų126.472%0.72271%0.713SS**  trans-9680.8160.9-75.4-57.3000108S114S114-D116 PolarHBondContact O-N 3.45Å; S114-D116 PolarHBondContact OG-OD2 2.88Å
117D47.8Very low54.3Low157 Ų157126.2 Ų126.284%0.8472%0.717SS**  trans-174.277.4150.8-102.4-25.5000109.3V119D117-V119 PolarHBondContact O-N 2.85Å; D117-V119 VanDerWaalsContact O-N 3.16Å
118V44.2Very low54.8Low142 Ų142123.8 Ų123.886%0.86171%0.714SS**  trans-79.986.7166.5-81.50000109.1A120V118-A120 PolarHBondContact O-N 2.79Å
119V47.7Very low55.7Low130 Ų130117.8 Ų117.879%0.78869%0.691SS**  trans-59.3129.4148.91720000106.5D117 G121D117-V119 PolarHBondContact O-N 2.85Å; D117-V119 VanDerWaalsContact O-N 3.16Å; V119-G121 VanDerWaalsContact C-N 3.26Å; V119-G121 PolarHBondContact O-N 2.73Å
120A51.9Low56.6Low102 Ų102117.3 Ų117.384%0.84369%0.687SS**  trans-56.585.9179.700000111V118V118-A120 PolarHBondContact O-N 2.79Å
121G43.4Very low57.6Low53 Ų53114.3 Ų114.355%0.54668%0.675SS.*  trans-93.8124.3175.300000109.1V119 T123V119-G121 VanDerWaalsContact C-N 3.26Å; V119-G121 PolarHBondContact O-N 2.73Å; G121-T123 PolarHBondContact O-N 3.15Å; G121-T123 PolarHBondContact O-OG1 3.03Å
122D61.3Low59Low151 Ų151106.5 Ų106.581%0.80764%0.642SS**  trans-43.4106.9177.2-70.5-46.4000111.4N124D122-N124 PolarHBondContact O-N 2.59Å
123T58.3Low60.5Low111 Ų111101 Ų10168%0.68161%0.613SS**SBendtrans-71.914.4-175.3-40.30000112.9G121G121-T123 PolarHBondContact O-N 3.15Å; G121-T123 PolarHBondContact O-OG1 3.03Å
124N60.1Low62.1Low58 Ų5896.5 Ų96.531%0.3160%0.602SS.*  trans-122.774.2177.9-75.2-65.8000109.8D122 D126 Q130D122-N124 PolarHBondContact O-N 2.59Å; N124-D126 PolarHBondContact O-N 3.14Å; N124-Q130 HydrophobicContact CB-CG 4.48Å; N124-Q130 WeakPolarHBondContact O-CG 3.38Å; N124-Q130 PolarHBondContact O-NE2 2.95Å
125A60.4Low63.6Low95 Ų9595.8 Ų95.879%0.78559%0.59SS**  trans-74.8-6.717500000113.6P127A125-P127 WeakPolarHBondContact O-CD 3.45Å
126D72.1Confident64.9Low71 Ų7196 Ų9638%0.3858%0.583SS.*  trans-83.8118.7176.3168.841.8000111N124 Q128 S129 Q130N124-D126 PolarHBondContact O-N 3.14Å; D126-Q128 PolarHBondContact O-N 2.78Å; D126-Q128 VanDerWaalsContact O-N 3.15Å; D126-Q128 PolarHBondContact OD1-N 2.89Å; D126-Q128 WeakPolarHBondContact OD2-CB 3.43Å; D126-S129 PolarHBondContact O-N 3.13Å; D126-S129 VanDerWaalsContact O-N 3.13Å; D126-S129 WeakPolarHBondContact OD2-CB 3.41Å; D126-S129 PolarHBondContact OD2-N 2.88Å; D126-S129 PolarHBondContact OD2-OG 2.77Å; D126-Q130 PolarHBondContact O-N 3.39Å; D126-Q130 VanDerWaalsContact O-N 3.15Å
127P72.8Confident66.3Low93 Ų9399.9 Ų99.960%0.60459%0.589SS**Hα-helixtrans-56.1-30.6179.8-25.934.5000114A125 T131A125-P127 WeakPolarHBondContact O-CD 3.45Å; P127-T131 PolarHBondContact O-N 3.08Å; P127-T131 VanDerWaalsContact O-N 3.1Å; P127-T131 PolarHBondContact O-OG1 2.87Å
128Q70.1Confident67.9Low155 Ų15594.3 Ų94.372%0.72456%0.561SS**Hα-helixtrans-71.2-41.5179.8-175175.9-1.800111.4D126 T131 A132D126-Q128 PolarHBondContact O-N 2.78Å; D126-Q128 VanDerWaalsContact O-N 3.15Å; D126-Q128 PolarHBondContact OD1-N 2.89Å; D126-Q128 WeakPolarHBondContact OD2-CB 3.43Å; Q128-T131 PolarHBondContact O-N 2.9Å; Q128-A132 PolarHBondContact O-N 2.92Å
129S72.6Confident69.7Low43 Ų4391.4 Ų91.430%0.30155%0.545SS..Hα-helixtrans-64.8-40.2175.4-60.80000112.1D126 T131 A132 M133D126-S129 PolarHBondContact O-N 3.13Å; D126-S129 VanDerWaalsContact O-N 3.13Å; D126-S129 WeakPolarHBondContact OD2-CB 3.41Å; D126-S129 PolarHBondContact OD2-N 2.88Å; D126-S129 PolarHBondContact OD2-OG 2.77Å; S129-T131 PolarHBondContact O-N 3.45Å; S129-A132 PolarHBondContact O-N 2.82Å; S129-M133 WeakPolarHBondContact O-CB 3.25Å; S129-M133 VanDerWaalsContact O-CG 3.23Å; S129-M133 WeakPolarHBondContact O-CG 3.45Å; S129-M133 PolarHBondContact O-N 3.35Å
130Q77.8Confident71.7Confident107 Ų10789.9 Ų89.950%0.553%0.528SS..Hα-helixtrans-61.7-43.9173.4-67-174.711.300112.1N124 D126 A132 M133 S134N124-Q130 HydrophobicContact CB-CG 4.48Å; N124-Q130 WeakPolarHBondContact O-CG 3.38Å; N124-Q130 PolarHBondContact O-NE2 2.95Å; D126-Q130 PolarHBondContact O-N 3.39Å; D126-Q130 VanDerWaalsContact O-N 3.15Å; Q130-A132 PolarHBondContact O-N 3Å; Q130-M133 PolarHBondContact O-N 3.19Å; Q130-S134 PolarHBondContact O-N 2.85Å
131T79.1Confident73.4Confident88 Ų8888.3 Ų88.354%0.5451%0.508SS..Hα-helixtrans-60.1-47.5178.3-55.40000110.5P127 Q128 S129 M133 S134P127-T131 PolarHBondContact O-N 3.08Å; P127-T131 VanDerWaalsContact O-N 3.1Å; P127-T131 PolarHBondContact O-OG1 2.87Å; Q128-T131 PolarHBondContact O-N 2.9Å; S129-T131 PolarHBondContact O-N 3.45Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.83Å; T131-S134 PolarHBondContact O-N 2.76Å; T131-S134 VanDerWaalsContact O-N 3.1Å; T131-S134 PolarHBondContact O-OG 2.84Å
132A76.1Confident75.6Confident19 Ų1992.5 Ų92.516%0.15751%0.513CS..Hα-helixtrans-64.6-34.717800000112.7Q128 S129 Q130 S134 L135 L150Q128-A132 PolarHBondContact O-N 2.92Å; S129-A132 PolarHBondContact O-N 2.82Å; Q130-A132 PolarHBondContact O-N 3Å; A132-S134 VanDerWaalsContact C-N 3.27Å; A132-S134 PolarHBondContact O-N 3.3Å; A132-L135 PolarHBondContact O-N 2.92Å; A132-L150 HydrophobicContact CB-CD1 3.71Å
133M80.4Confident76.7Confident41 Ų4186.9 Ų86.920%0.20248%0.484CS..Hα-helixtrans-70.7-19.5174.2-71.3-63.2-70.700113.5S129 Q130 T131 K140 A148 L150S129-M133 WeakPolarHBondContact O-CB 3.25Å; S129-M133 VanDerWaalsContact O-CG 3.23Å; S129-M133 WeakPolarHBondContact O-CG 3.45Å; S129-M133 PolarHBondContact O-N 3.35Å; Q130-M133 PolarHBondContact O-N 3.19Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.83Å; M133-K140 HydrophobicContact CE-CD 4.28Å; M133-K140 HydrophobicContact CE-CG 4.35Å; M133-K140 WeakPolarHBondContact O-CE 3.31Å; M133-K140 PolarHBondContact O-NZ 2.67Å; M133-K140 HydrophobicContact SD-CG 4.38Å; M133-A148 HydrophobicContact CE-CB 3.62Å; M133-A148 VanDerWaalsContact CE-O 3.27Å; M133-A148 WeakPolarHBondContact CE-O 3.36Å; M133-L150 HydrophobicContact CG-CD2 4.45Å; M133-L150 HydrophobicContact SD-CD2 3.46Å; M133-L150 WeakPolarHBondContact SD-CD2 3.29Å; M133-L150 HydrophobicContact SD-CG 3.8Å
134S80.6Confident77.8Confident84 Ų8487 Ų8759%0.58749%0.49SS*.Hα-helixtrans-81.6-16.1175.377.20000113.4Q130 T131 A132Q130-S134 PolarHBondContact O-N 2.85Å; T131-S134 PolarHBondContact O-N 2.76Å; T131-S134 VanDerWaalsContact O-N 3.1Å; T131-S134 PolarHBondContact O-OG 2.84Å; A132-S134 VanDerWaalsContact C-N 3.27Å; A132-S134 PolarHBondContact O-N 3.3Å
135L81.6Confident79Confident80 Ų8093.7 Ų93.742%0.41951%0.512SS..  trans-70.7130.3-178.2-63.4176.5000111.3A132 V138 K140A132-L135 PolarHBondContact O-N 2.92Å; L135-V138 HydrophobicContact CB-CB 4.34Å; L135-V138 HydrophobicContact CB-CG2 3.7Å; L135-V138 HydrophobicContact CD1-CG2 3.78Å; L135-V138 HydrophobicContact CG-CG2 4.4Å; L135-K140 WeakPolarHBondContact O-CE 3.3Å; L135-K140 PolarHBondContact O-NZ 3.47Å; L135-K140 VanDerWaalsContact O-NZ 3.09Å
136P76.3Confident80.2Confident101 Ų10191.2 Ų91.266%0.65650%0.496SS*.THydrogen-bonded Turntrans-76.4-21.9-17926-30.8000113.4
137Y78.3Confident80.7Confident216 Ų21692 Ų9285%0.84750%0.496SS*.THydrogen-bonded Turntrans-95.8-3.7-175.1-53.8-69.1000114.2
138V80.1Confident81.2Confident40 Ų4089.7 Ų89.724%0.24249%0.485CS..SBendtrans-94.5120.9178.5-172.30000108.9L135 K140 L150L135-V138 HydrophobicContact CB-CB 4.34Å; L135-V138 HydrophobicContact CB-CG2 3.7Å; L135-V138 HydrophobicContact CD1-CG2 3.78Å; L135-V138 HydrophobicContact CG-CG2 4.4Å; V138-K140 PolarHBondContact O-N 2.74Å; V138-L150 HydrophobicContact CB-CD2 4.39Å; V138-L150 HydrophobicContact CG1-CD1 4.46Å; V138-L150 HydrophobicContact CG1-CD2 3.72Å
139P83.8Confident82Confident82 Ų8285 Ų8553%0.53247%0.467SS..  trans-61.8131.6-178.6-23.233.4000112.4K151P139-K151 HydrophobicContact CB-CB 3.97Å; P139-K151 HydrophobicContact CB-CD 4.17Å; P139-K151 WeakPolarHBondContact O-CB 3.5Å; P139-K151 PolarHBondContact O-N 3.37Å
140K88.8Confident82.6Confident98 Ų9884.4 Ų84.443%0.42646%0.46SS..EExtended strand (participates in β ladder)trans-112.4147.6178.4-61.1164.1-156.9174.90109.4M133 L135 V138 T149 L150M133-K140 HydrophobicContact CE-CD 4.28Å; M133-K140 HydrophobicContact CE-CG 4.35Å; M133-K140 WeakPolarHBondContact O-CE 3.31Å; M133-K140 PolarHBondContact O-NZ 2.67Å; M133-K140 HydrophobicContact SD-CG 4.38Å; L135-K140 WeakPolarHBondContact O-CE 3.3Å; L135-K140 PolarHBondContact O-NZ 3.47Å; L135-K140 VanDerWaalsContact O-NZ 3.09Å; V138-K140 PolarHBondContact O-N 2.74Å; K140-T149 CarbonylContact C-O 3.57Å; K140-T149 WeakPolarHBondContact CA-O 3.22Å; K140-L150 HydrophobicContact CG-CD2 4.24Å
141T88.5Confident82.9Confident68 Ų6886.9 Ų86.942%0.41747%0.469SS..EExtended strand (participates in β ladder)trans-132.7148.6174.8-170.40000109.5A148 T149T141-A148 WeakPolarHBondContact O-CA 3.32Å; T141-T149 HydrophobicContact CG2-CG2 3.75Å; T141-T149 PolarHBondContact N-O 2.89Å; T141-T149 PolarHBondContact O-N 2.78Å; T141-T149 VanDerWaalsContact O-O 3.12Å
142Q89.8Confident82.8Confident141 Ų14187.7 Ų87.766%0.65947%0.467SS*.EExtended strand (participates in β ladder)trans-93128.8177.6-167.2171.11000108.9G146Q142-G146 PolarHBondContact NE2-O 2.83Å
143T83.1Confident82.8Confident33 Ų3391.5 Ų91.520%0.20249%0.492CS..  trans-72.4162.2174.166.20000110.3Y145 G146 F147 T149T143-Y145 PolarHBondContact O-N 3.31Å; T143-G146 PolarHBondContact O-N 3.39Å; T143-F147 HydrophobicContact CG2-CD2 3.96Å; T143-F147 HydrophobicContact CG2-CE1 4.21Å; T143-F147 HydrophobicContact CG2-CE2 3.47Å; T143-F147 VanDerWaalsContact CG2-CE2 3.47Å; T143-F147 HydrophobicContact CG2-CZ 3.61Å; T143-F147 PolarHBondContact N-O 2.93Å; T143-F147 WeakPolarHBondContact OG1-CD1 3.3Å; T143-F147 WeakPolarHBondContact OG1-CE1 3.37Å; T143-F147 WeakPolarHBondContact OG1-CG 3.2Å; T143-F147 WeakPolarHBondContact OG1-CZ 3.44Å; T143-F147 PolarHBondContact OG1-O 2.84Å; T143-F147 VanDerWaalsContact OG1-O 3.11Å; T143-T149 HydrophobicContact CG2-CG2 3.68Å
144S82.2Confident82.1Confident114 Ų11493.8 Ų93.880%0.79751%0.51SS*.THydrogen-bonded Turntrans-58-16174.550.10000114
145Y84.3Confident81.4Confident198 Ų19894.4 Ų94.478%0.77650%0.504SS*.THydrogen-bonded Turntrans-97.49178.8-55.6-76.7000112.8T143 F147T143-Y145 PolarHBondContact O-N 3.31Å; Y145-F147 HydrophobicContact CD2-CE1 4.39Å; Y145-F147 PolarHBondContact O-N 2.9Å
146G85.4Confident80.4Confident43 Ų4396.4 Ų96.444%0.44352%0.52SS..SBendtrans88.7-7.8169.700000116.1Q142 T143Q142-G146 PolarHBondContact NE2-O 2.83Å; T143-G146 PolarHBondContact O-N 3.39Å
147F84.1Confident79.8Confident87 Ų87102.2 Ų102.238%0.38253%0.528SS..  trans-92.4148.6176.968-92.9000112.7T143 Y145T143-F147 HydrophobicContact CG2-CD2 3.96Å; T143-F147 HydrophobicContact CG2-CE1 4.21Å; T143-F147 HydrophobicContact CG2-CE2 3.47Å; T143-F147 VanDerWaalsContact CG2-CE2 3.47Å; T143-F147 HydrophobicContact CG2-CZ 3.61Å; T143-F147 PolarHBondContact N-O 2.93Å; T143-F147 WeakPolarHBondContact OG1-CD1 3.3Å; T143-F147 WeakPolarHBondContact OG1-CE1 3.37Å; T143-F147 WeakPolarHBondContact OG1-CG 3.2Å; T143-F147 WeakPolarHBondContact OG1-CZ 3.44Å; T143-F147 PolarHBondContact OG1-O 2.84Å; T143-F147 VanDerWaalsContact OG1-O 3.11Å; Y145-F147 HydrophobicContact CD2-CE1 4.39Å; Y145-F147 PolarHBondContact O-N 2.9Å
148A83.2Confident79.3Confident46 Ų4697.7 Ų97.738%0.3851%0.51SS..EExtended strand (participates in β ladder)trans-85.2136.8179.600000111.8M133 T141M133-A148 HydrophobicContact CE-CB 3.62Å; M133-A148 VanDerWaalsContact CE-O 3.27Å; M133-A148 WeakPolarHBondContact CE-O 3.36Å; T141-A148 WeakPolarHBondContact O-CA 3.32Å
149T86Confident78.4Confident55 Ų55104.5 Ų104.534%0.33754%0.536SS..EExtended strand (participates in β ladder)trans-135.8161.6175.3-170.40000110.5K140 T141 T143K140-T149 CarbonylContact C-O 3.57Å; K140-T149 WeakPolarHBondContact CA-O 3.22Å; T141-T149 HydrophobicContact CG2-CG2 3.75Å; T141-T149 PolarHBondContact N-O 2.89Å; T141-T149 PolarHBondContact O-N 2.78Å; T141-T149 VanDerWaalsContact O-O 3.12Å; T143-T149 HydrophobicContact CG2-CG2 3.68Å
150L85.5Confident77.3Confident31 Ų31106.8 Ų106.816%0.16254%0.54CS..EExtended strand (participates in β ladder)trans-69.2135.7175.5-58.3178.5000109.8A132 M133 V138 K140 E152 P154A132-L150 HydrophobicContact CB-CD1 3.71Å; M133-L150 HydrophobicContact CG-CD2 4.45Å; M133-L150 HydrophobicContact SD-CD2 3.46Å; M133-L150 WeakPolarHBondContact SD-CD2 3.29Å; M133-L150 HydrophobicContact SD-CG 3.8Å; V138-L150 HydrophobicContact CB-CD2 4.39Å; V138-L150 HydrophobicContact CG1-CD1 4.46Å; V138-L150 HydrophobicContact CG1-CD2 3.72Å; K140-L150 HydrophobicContact CG-CD2 4.24Å; L150-E152 PolarHBondContact O-N 2.7Å; L150-P154 HydrophobicContact CD1-CG 4.29Å
151K83.4Confident75.9Confident159 Ų159104.9 Ų104.969%0.69154%0.539SS*.SBendtrans-63.6-29.5178.2-170.8-176.6176-175.30112P139P139-K151 HydrophobicContact CB-CB 3.97Å; P139-K151 HydrophobicContact CB-CD 4.17Å; P139-K151 WeakPolarHBondContact O-CB 3.5Å; P139-K151 PolarHBondContact O-N 3.37Å
152E77.6Confident74.5Confident106 Ų106107.3 Ų107.350%0.49555%0.549SS..SBendtrans-138.4137.6177-176.5173.5174.300109.6L150 P154 R158L150-E152 PolarHBondContact O-N 2.7Å; E152-P154 WeakPolarHBondContact O-CD 3.35Å; E152-R158 IonicContact OE1-CZ 3.31Å; E152-R158 IonicContact OE1-NH1 3.98Å; E152-R158 PolarHBondContact OE1-NH1 2.91Å
153S75.2Confident72.9Confident98 Ų98107.8 Ų107.869%0.68555%0.549SS*.  trans-73.1125173.4-55.30000109.6H155S153-H155 PolarHBondContact O-N 2.9Å
154P66.9Low71.7Confident89 Ų89114.8 Ų114.858%0.57858%0.579SS**  trans-54117.6175.5-25.534.2000110.8L150 E152L150-P154 HydrophobicContact CD1-CG 4.29Å; E152-P154 WeakPolarHBondContact O-CD 3.35Å
155H64.7Low69.7Low97 Ų97114.8 Ų114.845%0.44958%0.577SS.*  trans-118.1110.2-174.9-166.560.6000111.9S153 R157 R158 S161S153-H155 PolarHBondContact O-N 2.9Å; H155-R157 WeakPolarHBondContact NE2-CB 3.49Å; H155-R157 PolarHBondContact O-N 3.09Å; H155-R157 VanDerWaalsContact O-N 3.1Å; H155-R158 PolarHBondContact O-N 2.87Å; H155-S161 WeakPolarHBondContact O-CB 3.35Å
156T61.5Low67.6Low123 Ų123114 Ų11476%0.75558%0.581SS**THydrogen-bonded Turntrans-67.6-10.8-176.856.50000114.7
157R63.4Low65.3Low222 Ų222119.7 Ų119.784%0.83860%0.6SS**THydrogen-bonded Turntrans-88-11174.6-152.1-179169.5-156.5-3.7113H155H155-R157 WeakPolarHBondContact NE2-CB 3.49Å; H155-R157 PolarHBondContact O-N 3.09Å; H155-R157 VanDerWaalsContact O-N 3.1Å
158R68.4Low63Low122 Ų122121.8 Ų121.846%0.4662%0.621SS.*SBendtrans-89.3119.9178.5-140.4176.3-169.4142.213.1108.4E152 H155 E160 S161E152-R158 IonicContact OE1-CZ 3.31Å; E152-R158 IonicContact OE1-NH1 3.98Å; E152-R158 PolarHBondContact OE1-NH1 2.91Å; H155-R158 PolarHBondContact O-N 2.87Å; R158-E160 WeakPolarHBondContact CD-OE1 3.36Å; R158-E160 HydrophobicContact CG-CG 4.1Å; R158-E160 WeakPolarHBondContact CG-OE1 3.21Å; R158-E160 IonicContact CZ-OE1 3.62Å; R158-E160 IonicContact NE-OE1 2.65Å; R158-E160 PolarHBondContact NE-OE1 3Å; R158-E160 PolarHBondContact O-N 2.79Å; R158-E160 VanDerWaalsContact O-N 3.1Å; R158-S161 WeakPolarHBondContact O-CB 3.3Å; R158-S161 PolarHBondContact O-N 2.81Å
159K60.2Low60.7Low183 Ų183124.6 Ų124.680%0.79664%0.637SS**G310 helixtrans-63-20.4-171-158.8-175.5168.6-168.30113.5
160E62.1Low59.2Low129 Ų129127.3 Ų127.360%0.60366%0.656SS**G310 helixtrans-81.5-15.5176.364.5-150.7176.200114.3R158 L162R158-E160 WeakPolarHBondContact CD-OE1 3.36Å; R158-E160 HydrophobicContact CG-CG 4.1Å; R158-E160 WeakPolarHBondContact CG-OE1 3.21Å; R158-E160 IonicContact CZ-OE1 3.62Å; R158-E160 IonicContact NE-OE1 2.65Å; R158-E160 PolarHBondContact NE-OE1 3Å; R158-E160 PolarHBondContact O-N 2.79Å; R158-E160 VanDerWaalsContact O-N 3.1Å; E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.37Å
161S59.3Low56.8Low59 Ų59133.3 Ų133.341%0.41369%0.687SS.*G310 helixtrans-79.9-9.1-179.9-174.20000113.9H155 R158H155-S161 WeakPolarHBondContact O-CB 3.35Å; R158-S161 WeakPolarHBondContact O-CB 3.3Å; R158-S161 PolarHBondContact O-N 2.81Å
162L58.8Low54.4Low118 Ų118131.7 Ų131.762%0.61869%0.69SS**G310 helixtrans-103.4-2.2-170.2-103.6152000114.3E160E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.37Å
163F56.7Low52.2Low152 Ų152131.5 Ų131.567%0.66770%0.701SS**  trans-136.591.9-176.2-58.4-74.5000112.1
164H57.5Low51.1Low180 Ų180132.1 Ų132.183%0.83370%0.702SS**  trans-123.782.5153-72.8-49.7000108.2
165C40.7Very low49.3Very low113 Ų113135.7 Ų135.776%0.76472%0.717SS**  trans-13188.5162.5-690000107.4
166E38.6Very low48Very low181 Ų181136.2 Ų136.285%0.84673%0.726SS**  trans-124.790.5155.8-78.6-68.8169.300105.9
167L38.3Very low46.6Very low164 Ų164138.1 Ų138.186%0.85973%0.727SS**  trans-9282.4169.9-88.4165.2000108
168T35.8Very low45Very low131 Ų131137.8 Ų137.880%0.80473%0.726SS**  trans-154.497.8149.7-3.20000110.1
169S35Very low43.2Very low104 Ų104141.4 Ų141.473%0.72775%0.745SS**  trans-75.1-168.6170.1-40.60000110.9
170P54.1Low41.8Very low113 Ų113139 Ų13973%0.73475%0.745SS**  -131.5-175.1-55.531.8-11.3000113.4
171I34.7Very low41Very low157 Ų157138.8 Ų138.881%0.80576%0.755SS**  trans100.3124.5141.9-128.7168.3000121.9
172T33.8Very low39.6Very low124 Ų124139.4 Ų139.476%0.76177%0.771SS**  trans85.5120.5151.9-5.70000121.9
173S29.7Very low38.2Very low103 Ų103144.4 Ų144.472%0.7279%0.788SS**  trans-79.4-163.2167.754.60000112.1
174P53.5Low36.9Very low111 Ų111140.5 Ų140.572%0.72179%0.79SS**  cis-127.5176.3-42.425.2-4.3000111.6
175N28.5Very low35.4Very low164 Ų164137 Ų13788%0.87779%0.786SS**  trans-143.8148.5154.2-155.42.9000112.6
176T36.7Very low35Very low107 Ų107139.3 Ų139.366%0.65679%0.786SS**  trans-127.1152.6-155.2-15.50000110.4
177Q31.8Very low34.8Very low164 Ų164137.2 Ų137.277%0.76679%0.786SS**  trans84.8108.7150.7-64.4-16421.100122.5
178R31.1Very low34.5Very low215 Ų215132.1 Ų132.181%0.81177%0.773SS**  54.5115.5106.2-162.4-166.1-73.7-151.7-0.9119.7
179K30.9Very low34.5Very low198 Ų198133.6 Ų133.686%0.86178%0.776SS**  170129.6118.4-95.3177.6-179.9177.40112.7
180T30.7Very low34.3Very low132 Ų132136.1 Ų136.181%0.8178%0.775SS**  trans-79.5-174.8159.748.50000110.8
181P45.1Very low33.4Very low124 Ų124137.2 Ų137.281%0.80578%0.775SS**  cis-135.3176.2-13.424.10.1000115
182G28.8Very low33.4Very low72 Ų72135.7 Ų135.774%0.74277%0.773SS**  121.1120.4124.700000120.9
183K30.2Very low33.9Very low223 Ų223135.4 Ų135.497%0.9777%0.773SS**  90.7132.5124.8-138.2177.9-172.2-176.40120.2
184G28.7Very low34.3Very low70 Ų70134 Ų13472%0.72277%0.768SS**  trans108.698.6156.700000113.1
185S26.9Very low33.2Very low108 Ų108136 Ų13676%0.75577%0.772SS**  92140.668.9-164.30000112.5
186E31.9Very low33.4Very low161 Ų161134.4 Ų134.475%0.75277%0.773SS**  trans92107.2160-50.1-159.2157.600117.6
187T34.2Very low33.2Very low137 Ų137136.6 Ų136.684%0.8478%0.78SS**  84.4137.3103.261.40000111.4
188G32.1Very low33.2Very low57 Ų57134.9 Ų134.959%0.58878%0.781SS**  cis174.6162.2-0.400000107.4
189N35.6Very low33.3Very low162 Ų162129.3 Ų129.387%0.86678%0.775SS**  trans73.4141.2159.9-46.8-24.7000114.8
190H31.3Very low33.5Very low156 Ų156127.9 Ų127.972%0.72277%0.771SS**  cis-175.213837.6-168.2-128.9000109.9
191L34.8Very low33.7Very low137 Ų137129.2 Ų129.272%0.71777%0.772SS**  trans71.4108.4154.5-61.6-178.6000123.6
192T34.3Very low33.1Very low124 Ų124130.4 Ų130.476%0.76177%0.771SS**  trans-69.8176.4134.252.70000110.3
193P45.1Very low34.1Very low119 Ų119132.1 Ų132.177%0.77377%0.769SS**  cis-141.5-165.329.542.7-19.3000112.5
194A39Very low34.1Very low73 Ų73131.5 Ų131.560%0.60376%0.762SS**  cis-160.9133.515.900000106.6
195D29.7Very low34.3Very low154 Ų154139.8 Ų139.882%0.82477%0.772SS**  74.6114.6104.4-59.2-33.5000117.1
196C32.7Very low34.6Very low130 Ų130144.5 Ų144.588%0.87877%0.774SS**  -160.1119.7117.244.60000111.5
197N31.7Very low34.6Very low153 Ų153146.1 Ų146.182%0.81878%0.779SS**  trans-53.1149.6166.3-82.3-34.8000112.3
198T32.5Very low34.8Very low128 Ų128145.4 Ų145.479%0.78578%0.78SS**  -164.2117.7114.3-580000109.6
199S32.8Very low34.9Very low97 Ų97146.5 Ų146.568%0.67879%0.791SS**  trans-91.8137.8178.152.20000112
200H35.7Very low35Very low169 Ų169142.4 Ų142.478%0.78279%0.787SS**  trans-141.1100.3155-80.4-73.6000111.7
201I35.3Very low35.1Very low160 Ų160143.8 Ų143.882%0.82179%0.794SS**  trans47.6113.8132.3-72.4160.4000120.1
202N32.5Very low35.4Very low149 Ų149142.9 Ų142.980%0.79780%0.799SS**  trans-58.6163.5159.9-95.2-29.3000113.7
203P48.8Very low35.5Very low108 Ų108144.4 Ų144.470%0.70180%0.803SS**  -159.6159.374.242.9-20.5000121.7
204Y29.8Very low35.7Very low209 Ų209145.4 Ų145.482%0.8281%0.807SS**  trans65.9106.7154.4-79.7-73.4000121.8
205R34Very low35.4Very low245 Ų245148 Ų14893%0.92582%0.819SS**  -178.7138.8100.8-113.5-173.6-88.6174.1-7.3114.3
206Y31.8Very low35.8Very low206 Ų206146.5 Ų146.581%0.80882%0.82SS**  trans-61.9138.8171.3-99.7-112.7000113.8
207F32.9Very low36.1Very low195 Ų195146.2 Ų146.286%0.85582%0.82SS**  172.6136.3104.5-114.3-85.7000111.5
208S37.7Very low36.5Very low123 Ų123143.5 Ų143.586%0.8682%0.819SS**  trans-64.4146.3177-65.40000114.5
209G34.9Very low36.9Very low79 Ų79146.2 Ų146.281%0.81482%0.823SS**  trans-176.7100.5159.300000108.8
210G37.2Very low37Very low76 Ų76146.8 Ų146.878%0.78483%0.827SS**  trans-86.9154.5-173.900000113.7
211E33Very low37.1Very low185 Ų185144.2 Ų144.286%0.86483%0.828SS**  trans-169.9118.213850.1-163.5138.600110
212S41.6Very low37.8Very low119 Ų119142.4 Ų142.483%0.83283%0.826SS**  trans34.6126137.1-52.60000121.2
213D37.2Very low37.8Very low156 Ų156144.8 Ų144.883%0.83483%0.83SS**  trans-49.7139.7165.8-54.2-67.8000114.4
214T48.1Very low37.1Very low139 Ų139144.9 Ų144.985%0.85383%0.833SS**  -153.2126.4122.437.50000110.1
215C34.3Very low37.3Very low128 Ų128140.2 Ų140.287%0.86583%0.831SS**  trans-60.9130.8172.7-71.90000110.8
216S37.5Very low37.8Very low122 Ų122134.5 Ų134.585%0.85383%0.826SS**  trans-133.698.6157.2-78.30000107.7
217S38.5Very low38.2Very low124 Ų124132.9 Ų132.987%0.86783%0.83SS**  trans-78.9130.3165.7-70.40000109.4
218A40.3Very low38.5Very low97 Ų97130.8 Ų130.880%0.80283%0.827SS**  trans-64.5132.9163.400000110.8
219E40.8Very low38.6Very low185 Ų185130.9 Ų130.986%0.86483%0.828SS**  trans-158.5143.9151.5-168.884.9105.900107.7
220S35.4Very low38.9Very low108 Ų108137.5 Ų137.576%0.75583%0.828SS**  trans90.478.8176.577.20000117.2
221S36.6Very low38.9Very low115 Ų115139.5 Ų139.580%0.80483%0.83SS**  trans-77.2142.4147.7-145.90000109.8
222P50Low39.3Very low122 Ų122135.8 Ų135.879%0.79283%0.831SS**  trans-118.9131.9143.729.9-18.1000111.1
223F34.1Very low39Very low199 Ų199135 Ų13587%0.87383%0.826SS**  trans-50.7148.3178-113.7-107.2000114.1
224S34.3Very low39.7Very low110 Ų110135.8 Ų135.877%0.76983%0.829SS**  trans87.277.4153.1-52.80000118.6
225S33.8Very low39.9Very low111 Ų111136.4 Ų136.478%0.77683%0.826SS**  trans-105.9144.5148.348.90000110.7
226P43Very low40.4Very low125 Ų125140.2 Ų140.281%0.81283%0.828SS**  trans-78.9132.1-168.930-33.2000112.6
227L40.8Very low40.4Very low172 Ų172140.7 Ų140.790%0.90182%0.82SS**  trans-70.7126.2179-68.1169.2000111.8S229L227-S229 PolarHBondContact O-N 2.83Å
228L38.9Very low40.4Very low151 Ų151144 Ų14479%0.79182%0.819SS**  trans-67.1114.3159.5-88.684.1000109.2R230L228-R230 PolarHBondContact O-N 2.9Å
229S39.3Very low40.1Very low126 Ų126146.5 Ų146.588%0.88182%0.824SS**  trans-80.2101167.8-168.30000109.6L227L227-S229 PolarHBondContact O-N 2.83Å
230R42.1Very low40Very low217 Ų217145.4 Ų145.482%0.81982%0.819SS**  trans-75.7121.3168.5-68.4-176.1-179.2-124.11.9109.7L228L228-R230 PolarHBondContact O-N 2.9Å
231S37.7Very low40Very low118 Ų118147.5 Ų147.583%0.82582%0.817SS**  trans34.2103.1136.1-36.60000118.7
232A40.3Very low40.1Very low107 Ų107148.6 Ų148.688%0.88482%0.819SS**  trans-125.5108.4146.600000108.5
233S36.7Very low39.5Very low104 Ų104151.5 Ų151.573%0.72782%0.822SS**  trans-76.3125.8168.3165.70000108.7
234L51.6Low39.8Very low171 Ų171147 Ų14790%0.89582%0.821SS**  trans-151.1109.4141.3-83.5-172.5000109.4
235L51.5Low40.1Very low152 Ų152150.7 Ų150.780%0.79682%0.824SS**  trans-66.6129.9161.8-72.2159.5000109.3
236K45.4Very low40.1Very low208 Ų208152 Ų15290%0.90483%0.827SS**  trans-164115.8140.6-107.9168.2-177-176.70109.8
237I38.1Very low39.7Very low133 Ų133150 Ų15068%0.68282%0.82SS**  trans-103.3151.1173-58.6175.2000107.1
238F36.9Very low39.3Very low192 Ų192151.8 Ų151.884%0.84282%0.821SS**  trans87.5112.7171.4-60.2-73.3000116.8
239T35.4Very low39.1Very low150 Ų150149.7 Ų149.792%0.9283%0.825SS**  -167.7164.8101.738.20000112.1
240H37.6Very low39.2Very low163 Ų163153.4 Ų153.476%0.75583%0.825SS**  trans-65.5153.6-164.9-116.9-117.4000117.4
241E35.8Very low39.1Very low152 Ų152154.3 Ų154.371%0.7183%0.829SS**  32.4118.4128.4-170.7-174.4171.500119.5
242T39.1Very low39Very low138 Ų138154.5 Ų154.585%0.84783%0.825SS**  -170.2140.9127.850000112.4
243Q37.7Very low38.9Very low183 Ų183156.3 Ų156.386%0.85582%0.819SS**  trans-69.7146.5169.6-60.6-174.619.500111.3
244A40.4Very low38.9Very low103 Ų103156.1 Ų156.185%0.85182%0.823SS**  trans-160.7131.5142.700000111.5
245K39.2Very low38.4Very low189 Ų189158.5 Ų158.582%0.82282%0.821SS**  trans-74.4158.3171.6-66.4168.1174.5172.60110.2
246V35Very low37.7Very low139 Ų139159.1 Ų159.184%0.84282%0.819SS**  trans136.9128.7131.6174.20000114.9
247A33.1Very low37.6Very low81 Ų81154.3 Ų154.367%0.66981%0.812SS**  trans80.6104.4147.600000122.4
248K33.3Very low37.7Very low211 Ų211152.7 Ų152.792%0.91781%0.812SS**  45113114.1-65.6177.5178.2170.50118.1
249A35Very low37.9Very low106 Ų106151.8 Ų151.888%0.87682%0.815SS**  trans-152.9132.9130.300000111
250K41.2Very low37.8Very low204 Ų204150.2 Ų150.289%0.88781%0.81SS**  trans-85142.6-177.7-65.9170.9170.5-178.60111.3
251R39.1Very low38.1Very low236 Ų236149.1 Ų149.189%0.89182%0.815SS**  trans178100137.7-106.1177.4152.9101.7-1.7108.2
252T36.2Very low38.6Very low122 Ų122149.4 Ų149.475%0.74882%0.822SS**  45.298.68865.10000115
253L39.2Very low38.9Very low146 Ų146151.3 Ų151.376%0.76482%0.821SS**  -157.1107.2121.2-143.978.1000110.1
254A35.5Very low38.7Very low99 Ų99148.4 Ų148.482%0.81882%0.819SS**  trans-90.1136.4162.500000108.3
255R41.4Very low38.7Very low222 Ų222148.5 Ų148.584%0.83881%0.814SS**  trans-157.1136.1160.9-68.8-170.7169.4166.6-5.5105.9
256H37.1Very low38.5Very low165 Ų165145.2 Ų145.276%0.76481%0.814SS**  cis-165.2129.2-19.5-178.2-99.6000102.1S258H256-S258 PolarHBondContact CE1-OG 2.81Å; H256-S258 PolarHBondContact ND1-OG 3.18Å; H256-S258 VanDerWaalsContact ND1-OG 3.14Å
257S42.7Very low38.8Very low107 Ų107142.9 Ų142.975%0.74881%0.81SS**  trans-80.3135.316948.70000109.5
258S40.7Very low38.9Very low98 Ų98148 Ų14869%0.68582%0.82SS**  trans-148.9118.8155.1-61.70000110.5H256H256-S258 PolarHBondContact CE1-OG 2.81Å; H256-S258 PolarHBondContact ND1-OG 3.18Å; H256-S258 VanDerWaalsContact ND1-OG 3.14Å
259L40.5Very low39.8Very low173 Ų173143.2 Ų143.291%0.90681%0.81SS**  trans-71.4143.7159.8-65.4161.2000108.4
260S35.1Very low39.7Very low117 Ų117144 Ų14482%0.81881%0.809SS**  trans-141.4130.1150-79.20000109.4
261T42.7Very low40Very low140 Ų140139.4 Ų139.486%0.85980%0.801SS**  trans-92130.8168.244.40000108.9
262D46.2Very low39.7Very low158 Ų158134.6 Ų134.685%0.84579%0.793SS**  trans-154.3134.5149.358.2-79000110.6
263E45.8Very low39.8Very low179 Ų179135.2 Ų135.284%0.83679%0.79SS**  trans-120112.6176.7-143.6-91103.400103.1
264C33.1Very low39.7Very low121 Ų121135.1 Ų135.182%0.81879%0.786SS**  trans-164.7128.4153.5-1510000111.3
265S41.2Very low39.9Very low106 Ų106139.9 Ų139.974%0.74178%0.782SS**  trans-63.7145.7167.9-74.70000112.6
266S35.4Very low39.8Very low119 Ų119140.3 Ų140.383%0.83278%0.784SS**  trans-166.6131.6137.346.30000111.3
267A40Very low39.8Very low90 Ų90141 Ų14174%0.74479%0.792SS**  trans-71.9146.216900000111.1
268E35.6Very low39.6Very low190 Ų190146.9 Ų146.989%0.88880%0.798SS**  -179.5155.4114.6-104.4-179.1113.300111.7
269P51.4Low39.3Very low109 Ų109148.9 Ų148.971%0.70881%0.806SS**  trans-93157.1-164.637.8-33.7000112.2
270S33.5Very low39.3Very low122 Ų122146.1 Ų146.185%0.85380%0.798SS**  trans-150.9154.4167.9-87.30000111.9
271P48.1Very low39.1Very low109 Ų109145.9 Ų145.971%0.70880%0.797SS**  -122.2179.7-129.238.3-24.8000115.5
272N33.2Very low38.8Very low135 Ų135147.4 Ų147.472%0.72280%0.798SS**  trans82.2106.9156.6-85.6-7.5000120.7
273I37.7Very low38.8Very low135 Ų135149 Ų14969%0.69280%0.801SS**  92.8121.286.9-79.5176.2000110.2
274Q36.1Very low38Very low144 Ų144144.1 Ų144.167%0.67380%0.798SS**  -156.6128.796.1-85.5176.921.500115
275R40.4Very low38.1Very low199 Ų199143.3 Ų143.375%0.75180%0.8SS**  trans61.495138.7-72.7-175-119.897.82.2121
276R39.4Very low38.1Very low231 Ų231142.3 Ų142.387%0.87281%0.807SS**PPolyproline II helixtrans-72.6132.7150.2176.4-173.1-82.4-129.31.6110.8
277L38.2Very low37.9Very low179 Ų179139.7 Ų139.794%0.93780%0.798SS**PPolyproline II helixtrans-79.6130.3158.1-80.9167.5000109.3
278R37.7Very low37.8Very low230 Ų230140.4 Ų140.487%0.86880%0.804SS**PPolyproline II helixtrans-86.3142.2179.5-89.4179.2167.5117.9-5.4111.2
279V33.4Very low37.9Very low141 Ų141136.2 Ų136.286%0.85580%0.796SS**  trans-133.2140.9145.8179.70000106
280P41.7Very low37.4Very low114 Ų114137.8 Ų137.874%0.7480%0.798SS**PPolyproline II helixtrans-91.7142.3-145.833.1-31.9000115
281S30.6Very low38Very low113 Ų113140.5 Ų140.579%0.7980%0.797SS**PPolyproline II helixtrans-85.5122.9162-61.60000109.6
282L36.5Very low37.8Very low171 Ų171136.9 Ų136.990%0.89578%0.779SS**PPolyproline II helixtrans-84.7130.4154.1-98.4116.7000108.4
283H45Very low38.6Very low193 Ų193138.3 Ų138.389%0.89479%0.786SS**PPolyproline II helixtrans-64.3128.8173.6-73.4-87.2000110.7
284G30.6Very low39.8Very low75 Ų75137.1 Ų137.177%0.77378%0.778SS**  trans-148.8116.7168.200000108.5
285A35.1Very low41.7Very low104 Ų104136.8 Ų136.886%0.8677%0.77SS**  trans-21.7144.4176.900000119.2
286G40.1Very low44.2Very low86 Ų86131.4 Ų131.489%0.88775%0.754SS**  trans79.8100.5134.700000116.5
287G31Very low46.8Very low64 Ų64121.7 Ų121.766%0.6672%0.718SS**  trans166.581.3165.200000110.1S289G287-S289 VanDerWaalsContact C-N 3.28Å; G287-S289 PolarHBondContact O-N 2.97Å
288A38Very low49.6Very low104 Ų104117.2 Ų117.286%0.8670%0.698SS**  trans-51.8106.1153.200000105.9D290A288-D290 PolarHBondContact O-N 3.25Å
289S39.3Very low52.4Low102 Ų102106.7 Ų106.771%0.71366%0.659SS**  trans-66.891.8166.6-40.70000104.3G287 H291G287-S289 VanDerWaalsContact C-N 3.28Å; G287-S289 PolarHBondContact O-N 2.97Å; S289-H291 VanDerWaalsContact C-N 3.3Å; S289-H291 PolarHBondContact O-N 3.33Å
290D40.6Very low55.4Low143 Ų143104.9 Ų104.977%0.76565%0.645SS**  trans-47.2104.9163.3-177.935.8000105.7A288 G292A288-D290 PolarHBondContact O-N 3.25Å; D290-G292 PolarHBondContact O-N 2.73Å
291H44.8Very low58Low179 Ų179100 Ų10083%0.82961%0.612SS**  trans-68.772.9166.5-80.7-79.4000105.3S289 L293S289-H291 VanDerWaalsContact C-N 3.3Å; S289-H291 PolarHBondContact O-N 3.33Å; H291-L293 PolarHBondContact O-N 3.04Å
292G44.8Very low61Low32 Ų3299 Ų9933%0.3360%0.595SS.*  trans-47.8114.7-175.500000107.5D290 Q294D290-G292 PolarHBondContact O-N 2.73Å; G292-Q294 PolarHBondContact O-N 3.11Å
293L50.6Low63.5Low165 Ų16597 Ų9786%0.86458%0.579SS**  trans-28.694.3-176.7-64.4159.6000110.6H291 R295H291-L293 PolarHBondContact O-N 3.04Å; L293-R295 PolarHBondContact O-N 2.87Å
294Q61.5Low65.4Low110 Ų11089.6 Ų89.651%0.51456%0.555SS.*  trans-66.692.7173.8-76.6-1591.800106.2G292 E296 S310G292-Q294 PolarHBondContact O-N 3.11Å; Q294-E296 PolarHBondContact O-N 3.29Å; Q294-S310 PolarHBondContact OE1-OG 2.89Å
295R76.5Confident68.4Low138 Ų13886.6 Ų86.652%0.52152%0.524SS..  trans-68.2110.7-176.7-168.5174.3-179.21591.4107.2L293 H297 S417L293-R295 PolarHBondContact O-N 2.87Å; R295-H297 PolarHBondContact O-CD2 3Å; R295-H297 PolarHBondContact O-NE2 3.17Å; R295-S417 VanDerWaalsContact NH1-CB 3.32Å; R295-S417 PolarHBondContact NH1-OG 2.84Å
296E92.6Very high71.4Confident86 Ų8682.8 Ų82.840%0.40249%0.49SS..EExtended strand (participates in β ladder)trans-77134.2173.7-171.2170.7-166.400109.1Q294 R308 I309 L325Q294-E296 PolarHBondContact O-N 3.29Å; E296-R308 VanDerWaalsContact CD-NH1 3.26Å; E296-R308 WeakPolarHBondContact OE1-CB 3.12Å; E296-R308 WeakPolarHBondContact OE1-CD 3.4Å; E296-R308 IonicContact OE1-CZ 3.15Å; E296-R308 IonicContact OE1-NE 3.45Å; E296-R308 PolarHBondContact OE1-NE 3.37Å; E296-R308 IonicContact OE1-NH1 2.74Å; E296-R308 PolarHBondContact OE1-NH1 2.79Å; E296-R308 IonicContact OE1-NH2 3.56Å; E296-R308 PolarHBondContact OE1-NH2 2.82Å; E296-R308 IonicContact OE2-NH1 2.7Å; E296-R308 PolarHBondContact OE2-NH1 3.24Å; E296-R308 VanDerWaalsContact OE2-NH1 3.15Å; E296-I309 CarbonylContact C-O 3.51Å; E296-I309 VanDerWaalsContact CA-O 3.31Å; E296-I309 WeakPolarHBondContact CA-O 3.41Å; E296-I309 WeakPolarHBondContact CG-O 3.38Å; E296-L325 HydrophobicContact CG-CD1 3.92Å; E296-L325 WeakPolarHBondContact OE1-CD1 3.27Å
297H94.6Very high74.1Confident27 Ų2778.7 Ų78.713%0.12545%0.448CS..EExtended strand (participates in β ladder)trans-121.1130.5177.6-60.5-88.5000109.7R295 R308 I309 L415R295-H297 PolarHBondContact O-CD2 3Å; R295-H297 PolarHBondContact O-NE2 3.17Å; H297-R308 CarbonylContact O-C 3.6Å; H297-R308 WeakPolarHBondContact O-CA 3.44Å; H297-I309 HydrophobicContact CB-CD1 4.44Å; H297-I309 HydrophobicContact CB-CG1 3.86Å; H297-I309 PolarHBondContact N-O 2.84Å; H297-I309 PolarHBondContact O-N 2.79Å; H297-L415 HydrophobicContact CB-CD2 3.98Å; H297-L415 PolarHBondContact CE1-O 3.34Å; H297-L415 PolarHBondContact NE2-O 3.03Å
298T96.7Very high77.3Confident84 Ų8479.5 Ų79.552%0.51543%0.431SS..EExtended strand (participates in β ladder)trans-96.6116169.7-60.50000109.1T306T298-T306 HydrophobicContact CG2-CG2 4.15Å
299I96.4Very high80.1Confident10 Ų1074.6 Ų74.65%0.05139%0.39CS..EExtended strand (participates in β ladder)trans-105.2118.4-176.5-61.4176000109.4T306 V307 I309 F390 R408 V410 L415I299-T306 CarbonylContact O-C 3.54Å; I299-T306 VanDerWaalsContact O-CA 3.29Å; I299-T306 WeakPolarHBondContact O-CA 3.38Å; I299-V307 PolarHBondContact N-O 2.79Å; I299-V307 PolarHBondContact O-N 3.19Å; I299-I309 HydrophobicContact CD1-CD1 3.47Å; I299-I309 VanDerWaalsContact CD1-CD1 3.47Å; I299-I309 HydrophobicContact CD1-CG1 3.78Å; I299-I309 HydrophobicContact CD1-CG2 4.35Å; I299-I309 HydrophobicContact CG1-CD1 4.49Å; I299-I309 HydrophobicContact CG1-CG1 4.4Å; I299-F390 HydrophobicContact CD1-CD2 3.76Å; I299-F390 HydrophobicContact CD1-CE2 3.39Å; I299-F390 HydrophobicContact CD1-CZ 4.09Å; I299-R408 HydrophobicContact CG2-CB 3.66Å; I299-R408 HydrophobicContact CG2-CG 3.44Å; I299-R408 VanDerWaalsContact CG2-CG 3.44Å; I299-V410 HydrophobicContact CD1-CG2 3.91Å; I299-V410 HydrophobicContact CG1-CG2 4.26Å; I299-V410 HydrophobicContact CG2-CG2 3.82Å; I299-L415 HydrophobicContact CD1-CD2 4.4Å
300N96.8Very high82.8Confident103 Ų10370 Ų7055%0.55136%0.358SS*.EExtended strand (participates in β ladder)trans-77.3127.8174.5-60.7-37.5000110.9T306 R408N300-T306 VanDerWaalsContact OD1-CG2 3.22Å; N300-T306 WeakPolarHBondContact OD1-CG2 3.32Å; N300-R408 WeakPolarHBondContact O-CD 3.15Å; N300-R408 VanDerWaalsContact O-CG 3.3Å; N300-R408 WeakPolarHBondContact O-CG 3.36Å
301L96.4Very high85.4Confident11 Ų1163.6 Ų63.66%0.05833%0.325CS..  trans-86.8153.4178.9-57177.2000111.7K303 G304 G305 V307 L330 V392 R408L301-K303 PolarHBondContact O-N 3.06Å; L301-G304 WeakPolarHBondContact CB-O 3.46Å; L301-G304 PolarHBondContact O-N 3.21Å; L301-G305 PolarHBondContact N-O 2.86Å; L301-V307 HydrophobicContact CD1-CG2 3.84Å; L301-V307 HydrophobicContact CD2-CG2 3.84Å; L301-V307 HydrophobicContact CG-CG2 4.04Å; L301-L330 HydrophobicContact CD1-CD2 3.51Å; L301-V392 HydrophobicContact CD1-CB 4.17Å; L301-V392 HydrophobicContact CD1-CG2 3.58Å; L301-V392 HydrophobicContact CD2-CG2 4.27Å; L301-R408 HydrophobicContact CD2-CB 3.97Å
302H92.8Very high87.7Confident93 Ų9358.2 Ų58.243%0.43130%0.303SS..THydrogen-bonded Turntrans-65.2-28.7-17671.8-80.5000115.5E407H302-E407 WeakPolarHBondContact CE1-CG 3.34Å; H302-E407 PolarHBondContact CE1-N 3.09Å; H302-E407 PolarHBondContact N-O 2.8Å; H302-E407 VanDerWaalsContact N-O 3.11Å; H302-E407 WeakPolarHBondContact ND1-CA 3.33Å; H302-E407 WeakPolarHBondContact ND1-CG 3.12Å; H302-E407 PolarHBondContact ND1-N 3.41Å; H302-E407 PolarHBondContact ND1-O 2.68Å
303K88.4Confident90.1Very high127 Ų12758.2 Ų58.255%0.55229%0.293SS*.THydrogen-bonded Turntrans-100.418.1178-46.2-170.8171.2-174.90113.3L301 L404 L405L301-K303 PolarHBondContact O-N 3.06Å; K303-L404 PolarHBondContact NZ-O 2.65Å; K303-L405 WeakPolarHBondContact CB-O 3.47Å
304G86.2Confident92.1Very high38 Ų3853.6 Ų53.639%0.39227%0.269SS..SBendtrans92.6166.2-173.700000113L301L301-G304 WeakPolarHBondContact CB-O 3.46Å; L301-G304 PolarHBondContact O-N 3.21Å
305G93.9Very high93.5Very high12 Ų1252.4 Ų52.412%0.12427%0.273CS..  trans78.7169-169.500000113.6L301 E328 S329L301-G305 PolarHBondContact N-O 2.86Å; G305-E328 CarbonylContact C-O 3.54Å; G305-E328 WeakPolarHBondContact CA-O 3.46Å; G305-S329 WeakPolarHBondContact CA-O 3.34Å; G305-S329 PolarHBondContact N-O 2.91Å
306T97.1Very high94.3Very high25 Ų2549 Ų4915%0.15328%0.281CS..EExtended strand (participates in β ladder)trans-132.5152.5-176.460.50000110.3T298 I299 N300 A327 E328T298-T306 HydrophobicContact CG2-CG2 4.15Å; I299-T306 CarbonylContact O-C 3.54Å; I299-T306 VanDerWaalsContact O-CA 3.29Å; I299-T306 WeakPolarHBondContact O-CA 3.38Å; N300-T306 VanDerWaalsContact OD1-CG2 3.22Å; N300-T306 WeakPolarHBondContact OD1-CG2 3.32Å; T306-A327 CarbonylContact O-C 3.55Å; T306-A327 VanDerWaalsContact O-CA 3.27Å; T306-A327 WeakPolarHBondContact O-CA 3.12Å; T306-E328 PolarHBondContact N-O 3.18Å; T306-E328 PolarHBondContact O-N 2.74Å
307V97.4Very high94.4Very high0 Ų048.5 Ų48.50%028%0.284CS..EExtended strand (participates in β ladder)trans-123.1124.2170.1-176.90000107.6I299 L301 I309 V324 V326 A327 V392I299-V307 PolarHBondContact N-O 2.79Å; I299-V307 PolarHBondContact O-N 3.19Å; L301-V307 HydrophobicContact CD1-CG2 3.84Å; L301-V307 HydrophobicContact CD2-CG2 3.84Å; L301-V307 HydrophobicContact CG-CG2 4.04Å; V307-I309 HydrophobicContact CG1-CG2 3.83Å; V307-V324 HydrophobicContact CG1-CG1 3.96Å; V307-V326 WeakPolarHBondContact CA-O 3.28Å; V307-A327 HydrophobicContact CG2-CB 4.02Å; V307-V392 HydrophobicContact CG2-CG2 3.67Å
308R97.4Very high94.4Very high81 Ų8149.1 Ų49.131%0.30629%0.292SS..EExtended strand (participates in β ladder)trans-90131.8171.2-55.5-163.9-54.7132.421.2109.6E296 H297 L325 V326 E328E296-R308 VanDerWaalsContact CD-NH1 3.26Å; E296-R308 WeakPolarHBondContact OE1-CB 3.12Å; E296-R308 WeakPolarHBondContact OE1-CD 3.4Å; E296-R308 IonicContact OE1-CZ 3.15Å; E296-R308 IonicContact OE1-NE 3.45Å; E296-R308 PolarHBondContact OE1-NE 3.37Å; E296-R308 IonicContact OE1-NH1 2.74Å; E296-R308 PolarHBondContact OE1-NH1 2.79Å; E296-R308 IonicContact OE1-NH2 3.56Å; E296-R308 PolarHBondContact OE1-NH2 2.82Å; E296-R308 IonicContact OE2-NH1 2.7Å; E296-R308 PolarHBondContact OE2-NH1 3.24Å; E296-R308 VanDerWaalsContact OE2-NH1 3.15Å; H297-R308 CarbonylContact O-C 3.6Å; H297-R308 WeakPolarHBondContact O-CA 3.44Å; R308-L325 HydrophobicContact CB-CB 4.37Å; R308-L325 WeakPolarHBondContact O-CB 3.42Å; R308-L325 PolarHBondContact O-N 2.76Å; R308-V326 HydrophobicContact CB-CG1 3.91Å; R308-V326 HydrophobicContact CG-CG1 3.89Å; R308-V326 PolarHBondContact N-O 2.82Å; R308-E328 IonicContact NE-OE1 3.56Å
309I97.4Very high94.3Very high0 Ų051.3 Ų51.30%029%0.29CS..EExtended strand (participates in β ladder)trans-135160.7-179.468.8157.5000110.7E296 H297 I299 V307 I322 R323 V324 F390 L415E296-I309 CarbonylContact C-O 3.51Å; E296-I309 VanDerWaalsContact CA-O 3.31Å; E296-I309 WeakPolarHBondContact CA-O 3.41Å; E296-I309 WeakPolarHBondContact CG-O 3.38Å; H297-I309 HydrophobicContact CB-CD1 4.44Å; H297-I309 HydrophobicContact CB-CG1 3.86Å; H297-I309 PolarHBondContact N-O 2.84Å; H297-I309 PolarHBondContact O-N 2.79Å; I299-I309 HydrophobicContact CD1-CD1 3.47Å; I299-I309 VanDerWaalsContact CD1-CD1 3.47Å; I299-I309 HydrophobicContact CD1-CG1 3.78Å; I299-I309 HydrophobicContact CD1-CG2 4.35Å; I299-I309 HydrophobicContact CG1-CD1 4.49Å; I299-I309 HydrophobicContact CG1-CG1 4.4Å; V307-I309 HydrophobicContact CG1-CG2 3.83Å; I309-I322 HydrophobicContact CD1-CG2 4.43Å; I309-R323 CarbonylContact C-O 3.46Å; I309-R323 WeakPolarHBondContact CA-O 3.3Å; I309-R323 WeakPolarHBondContact CB-O 3.34Å; I309-V324 HydrophobicContact CG2-CG2 4.36Å; I309-F390 HydrophobicContact CD1-CE1 4.47Å; I309-F390 HydrophobicContact CD1-CE2 4.05Å; I309-F390 HydrophobicContact CD1-CZ 3.61Å; I309-F390 HydrophobicContact CG2-CD1 4.49Å; I309-F390 HydrophobicContact CG2-CE1 3.88Å; I309-F390 HydrophobicContact CG2-CZ 4.06Å; I309-L415 HydrophobicContact CD1-CD1 3.93Å; I309-L415 HydrophobicContact CD1-CD2 4.04Å
310S96Very high94.2Very high5 Ų550.8 Ų50.84%0.03529%0.288CS..EExtended strand (participates in β ladder)trans-117.2146.3154.868.20000109.8Q294 I322 R323Q294-S310 PolarHBondContact OE1-OG 2.89Å; S310-I322 WeakPolarHBondContact O-CA 3.39Å; S310-R323 PolarHBondContact N-O 2.94Å; S310-R323 PolarHBondContact O-N 2.99Å; S310-R323 WeakPolarHBondContact OG-CB 3.44Å
311A95.1Very high94.2Very high10 Ų1047.3 Ų47.38%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-127.8133.6179.100000109.2L321 L415 L416A311-L321 WeakPolarHBondContact CA-O 3.42Å; A311-L415 HydrophobicContact CB-CB 3.99Å; A311-L416 HydrophobicContact CB-CD2 3.96Å
312N93.6Very high94.2Very high66 Ų6646.8 Ų46.835%0.35327%0.266SS..EExtended strand (participates in β ladder)trans-139.7136.4176.4-178.4-81.2000108.7L321N312-L321 HydrophobicContact CB-CB 4.35Å; N312-L321 HydrophobicContact CB-CD2 4.36Å; N312-L321 PolarHBondContact N-O 3.15Å; N312-L321 PolarHBondContact O-N 3.19Å
313Y93.9Very high94.4Very high32 Ų3246 Ų4613%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-124.6126.1176.3174.9-105.1000109.1R319 L320 I378 S379 S380 V383 L416 L419Y313-R319 WeakPolarHBondContact CD2-O 3.19Å; Y313-L320 HydrophobicContact CD2-CB 4.07Å; Y313-I378 HydrophobicContact CE2-CB 4.33Å; Y313-I378 WeakPolarHBondContact CE2-O 3.49Å; Y313-I378 PolarHBondContact OH-O 3.39Å; Y313-S379 VanDerWaalsContact OH-C 3.27Å; Y313-S380 PolarHBondContact OH-N 3.25Å; Y313-V383 HydrophobicContact CD1-CG2 4.29Å; Y313-V383 HydrophobicContact CD2-CG2 3.87Å; Y313-V383 HydrophobicContact CE1-CG2 3.95Å; Y313-V383 HydrophobicContact CE2-CG2 3.52Å; Y313-V383 HydrophobicContact CG-CG2 4.23Å; Y313-L416 HydrophobicContact CG-CD1 4.32Å; Y313-L419 HydrophobicContact CD1-CD2 3.83Å; Y313-L419 HydrophobicContact CE1-CD2 3.96Å
314D92.9Very high94.9Very high67 Ų6740 Ų4036%0.35823%0.233SC..EExtended strand (participates in β ladder)trans-102.9111.7172.6175.423.9000109.6G316 T317 S318 R319D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 2.94Å; D314-G316 PolarHBondContact OD1-N 3.36Å; D314-T317 VanDerWaalsContact OD2-CB 3.3Å; D314-T317 WeakPolarHBondContact OD2-CB 3.43Å; D314-T317 WeakPolarHBondContact OD2-CG2 3.37Å; D314-T317 PolarHBondContact OD2-N 3.02Å; D314-T317 VanDerWaalsContact OD2-N 3.14Å; D314-T317 PolarHBondContact OD2-OG1 3.05Å; D314-S318 WeakPolarHBondContact O-CA 3.41Å; D314-S318 PolarHBondContact O-N 3.23Å; D314-R319 PolarHBondContact N-O 3.27Å; D314-R319 PolarHBondContact O-N 3.41Å; D314-R319 VanDerWaalsContact O-N 3.13Å
315S91.6Very high95.4Very high85 Ų8539.2 Ų39.259%0.59422%0.22SC*.THydrogen-bonded Turntrans-67.7-26.2175.753.90000112.9
316G92.9Very high95.5Very high68 Ų6839 Ų3970%0.70122%0.217SC*.THydrogen-bonded Turntrans-68.6-43.7-179.700000112.1D314D314-G316 VanDerWaalsContact C-N 3.26Å; D314-G316 PolarHBondContact O-N 2.94Å; D314-G316 PolarHBondContact OD1-N 3.36Å
317T93.9Very high95.5Very high75 Ų7537.9 Ų37.946%0.4621%0.209SC..THydrogen-bonded Turntrans-93.8-5.4176.459.40000114D314 R319D314-T317 VanDerWaalsContact OD2-CB 3.3Å; D314-T317 WeakPolarHBondContact OD2-CB 3.43Å; D314-T317 WeakPolarHBondContact OD2-CG2 3.37Å; D314-T317 PolarHBondContact OD2-N 3.02Å; D314-T317 VanDerWaalsContact OD2-N 3.14Å; D314-T317 PolarHBondContact OD2-OG1 3.05Å; T317-R319 PolarHBondContact O-N 3.15Å; T317-R319 WeakPolarHBondContact OG1-CB 3.34Å; T317-R319 WeakPolarHBondContact OG1-CG 3.27Å
318S94.4Very high95.4Very high40 Ų4041.3 Ų41.328%0.2823%0.225SC..THydrogen-bonded Turntrans54.641.3-172.6-63.50000112.1D314 S377 I378D314-S318 WeakPolarHBondContact O-CA 3.41Å; D314-S318 PolarHBondContact O-N 3.23Å; S318-S377 PolarHBondContact O-N 3.4Å; S318-I378 WeakPolarHBondContact CA-O 3.47Å; S318-I378 WeakPolarHBondContact CB-O 3.42Å; S318-I378 PolarHBondContact O-N 3.43Å
319R94.8Very high95.2Very high129 Ų12941.8 Ų41.849%0.48724%0.241SC..EExtended strand (participates in β ladder)trans-117.9131.6-176.6-69-177165.9169.9-0.6111.4Y313 D314 T317 F375 D376Y313-R319 WeakPolarHBondContact CD2-O 3.19Å; D314-R319 PolarHBondContact N-O 3.27Å; D314-R319 PolarHBondContact O-N 3.41Å; D314-R319 VanDerWaalsContact O-N 3.13Å; T317-R319 PolarHBondContact O-N 3.15Å; T317-R319 WeakPolarHBondContact OG1-CB 3.34Å; T317-R319 WeakPolarHBondContact OG1-CG 3.27Å; R319-F375 WeakPolarHBondContact CA-O 3.48Å; R319-D376 WeakPolarHBondContact CD-OD1 3.5Å; R319-D376 WeakPolarHBondContact CG-OD1 3.15Å; R319-D376 IonicContact CZ-OD1 3.37Å; R319-D376 IonicContact NE-OD1 2.84Å; R319-D376 PolarHBondContact NE-OD1 3.27Å; R319-D376 IonicContact NH2-OD1 2.67Å
320L95.2Very high95Very high0 Ų042.6 Ų42.60%025%0.245CC..EExtended strand (participates in β ladder)trans-103.1123.2170173.272.8000109.1Y313 I322 L348 F375 I378 L412 L416Y313-L320 HydrophobicContact CD2-CB 4.07Å; L320-I322 HydrophobicContact CD1-CG1 4.37Å; L320-I322 HydrophobicContact CD2-CD1 3.96Å; L320-I322 HydrophobicContact CD2-CG1 4.17Å; L320-I322 HydrophobicContact CG-CD1 4.34Å; L320-I322 HydrophobicContact CG-CG1 4Å; L320-L348 HydrophobicContact CD2-CD2 3.97Å; L320-F375 HydrophobicContact CB-CB 4.16Å; L320-F375 HydrophobicContact CD2-CB 4.48Å; L320-F375 HydrophobicContact CD2-CD2 4.06Å; L320-F375 HydrophobicContact CD2-CG 4.43Å; L320-F375 HydrophobicContact CG-CD2 4.26Å; L320-F375 PolarHBondContact N-O 3.26Å; L320-F375 PolarHBondContact O-N 3Å; L320-I378 HydrophobicContact CB-CD1 3.73Å; L320-I378 HydrophobicContact CD2-CD1 3.91Å; L320-L412 HydrophobicContact CD2-CD1 3.76Å; L320-L412 HydrophobicContact CD2-CD2 3.73Å; L320-L412 HydrophobicContact CD2-CG 4.44Å; L320-L416 HydrophobicContact CD1-CD1 3.85Å; L320-L416 HydrophobicContact CD1-CD2 4.13Å; L320-L416 HydrophobicContact CD1-CG 4.49Å
321L95.8Very high94.8Very high30 Ų3044 Ų4416%0.15725%0.25CC..EExtended strand (participates in β ladder)trans-100.5124.7170.8-178.386.7000108.8A311 N312 D372 F374A311-L321 WeakPolarHBondContact CA-O 3.42Å; N312-L321 HydrophobicContact CB-CB 4.35Å; N312-L321 HydrophobicContact CB-CD2 4.36Å; N312-L321 PolarHBondContact N-O 3.15Å; N312-L321 PolarHBondContact O-N 3.19Å; L321-D372 HydrophobicContact CD1-CB 3.99Å; L321-F374 HydrophobicContact CD1-CD1 3.62Å; L321-F374 HydrophobicContact CD1-CE1 3.17Å; L321-F374 HydrophobicContact CD1-CE2 4.32Å; L321-F374 HydrophobicContact CD1-CG 4.38Å; L321-F374 HydrophobicContact CD1-CZ 3.56Å
322I96.9Very high94.5Very high0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-121.2116.5169.4-58.6-174.4000108.3I309 S310 L320 V346 F373 F375 V388 F390I309-I322 HydrophobicContact CD1-CG2 4.43Å; S310-I322 WeakPolarHBondContact O-CA 3.39Å; L320-I322 HydrophobicContact CD1-CG1 4.37Å; L320-I322 HydrophobicContact CD2-CD1 3.96Å; L320-I322 HydrophobicContact CD2-CG1 4.17Å; L320-I322 HydrophobicContact CG-CD1 4.34Å; L320-I322 HydrophobicContact CG-CG1 4Å; I322-V346 HydrophobicContact CD1-CG1 4.37Å; I322-F373 HydrophobicContact CB-CB 4.45Å; I322-F373 PolarHBondContact N-O 3.35Å; I322-F373 WeakPolarHBondContact O-CB 3.37Å; I322-F373 WeakPolarHBondContact O-CD2 3.08Å; I322-F373 PolarHBondContact O-N 2.84Å; I322-F375 HydrophobicContact CB-CE2 4.19Å; I322-F375 HydrophobicContact CD1-CD2 4.31Å; I322-F375 HydrophobicContact CD1-CE2 3.76Å; I322-F375 HydrophobicContact CG1-CD2 4.32Å; I322-F375 HydrophobicContact CG1-CE2 3.97Å; I322-V388 HydrophobicContact CD1-CB 3.88Å; I322-V388 HydrophobicContact CD1-CG1 4.13Å; I322-V388 HydrophobicContact CD1-CG2 3.54Å; I322-F390 HydrophobicContact CD1-CZ 4.47Å; I322-F390 HydrophobicContact CG2-CE1 3.81Å; I322-F390 HydrophobicContact CG2-CZ 3.82Å
323R97.5Very high94.3Very high77 Ų7753.5 Ų53.529%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-97.9122173-172169-167.9-170.92.7110.1I309 S310 L325 E371 D372I309-R323 CarbonylContact C-O 3.46Å; I309-R323 WeakPolarHBondContact CA-O 3.3Å; I309-R323 WeakPolarHBondContact CB-O 3.34Å; S310-R323 PolarHBondContact N-O 2.94Å; S310-R323 PolarHBondContact O-N 2.99Å; S310-R323 WeakPolarHBondContact OG-CB 3.44Å; R323-L325 HydrophobicContact CG-CD2 3.86Å; R323-L325 HydrophobicContact CG-CG 4.45Å; R323-E371 CarbonylContact C-O 3.59Å; R323-E371 WeakPolarHBondContact CA-O 3.47Å; R323-D372 VanDerWaalsContact CB-OD1 3.22Å; R323-D372 WeakPolarHBondContact CB-OD1 3.15Å; R323-D372 WeakPolarHBondContact CD-OD1 3.43Å; R323-D372 WeakPolarHBondContact CG-OD1 3.43Å; R323-D372 IonicContact NE-OD1 3.56Å
324V97.8Very high94.1Very high0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-90.7117.6170.8179.50000108.1V307 I309 V344 V346 F369 N370 E371 F373 F390V307-V324 HydrophobicContact CG1-CG1 3.96Å; I309-V324 HydrophobicContact CG2-CG2 4.36Å; V324-V344 HydrophobicContact CG1-CB 4.49Å; V324-V344 HydrophobicContact CG1-CG2 4.16Å; V324-V346 HydrophobicContact CG2-CG2 3.96Å; V324-F369 HydrophobicContact CB-CB 4.48Å; V324-F369 HydrophobicContact CG1-CB 4.17Å; V324-F369 HydrophobicContact CG1-CD2 3.85Å; V324-F369 HydrophobicContact CG1-CG 4.19Å; V324-F369 WeakPolarHBondContact O-CB 3.35Å; V324-N370 CarbonylContact O-C 3.48Å; V324-N370 VanDerWaalsContact O-CA 3.27Å; V324-N370 WeakPolarHBondContact O-CA 3.41Å; V324-N370 PolarHBondContact O-N 3.17Å; V324-E371 PolarHBondContact N-O 2.83Å; V324-E371 PolarHBondContact O-N 3.5Å; V324-F373 HydrophobicContact CB-CE2 3.97Å; V324-F373 HydrophobicContact CG2-CD2 3.82Å; V324-F373 HydrophobicContact CG2-CE2 3.52Å; V324-F390 HydrophobicContact CG2-CD1 4.42Å; V324-F390 HydrophobicContact CG2-CE1 4.14Å
325L97.1Very high94Very high22 Ų2259 Ų5912%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-91.8-66-173.4-63168.6000110.9E296 R308 R323 V368 F369 N370E296-L325 HydrophobicContact CG-CD1 3.92Å; E296-L325 WeakPolarHBondContact OE1-CD1 3.27Å; R308-L325 HydrophobicContact CB-CB 4.37Å; R308-L325 WeakPolarHBondContact O-CB 3.42Å; R308-L325 PolarHBondContact O-N 2.76Å; R323-L325 HydrophobicContact CG-CD2 3.86Å; R323-L325 HydrophobicContact CG-CG 4.45Å; L325-V368 CarbonylContact O-C 3.59Å; L325-V368 WeakPolarHBondContact O-CA 3.28Å; L325-F369 PolarHBondContact O-N 3.45Å; L325-N370 PolarHBondContact O-N 2.89Å
326V97.2Very high94.1Very high8 Ų859.5 Ų59.55%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-147.7151.3-17761.90000109.8V307 R308 E328 P367 V368V307-V326 WeakPolarHBondContact CA-O 3.28Å; R308-V326 HydrophobicContact CB-CG1 3.91Å; R308-V326 HydrophobicContact CG-CG1 3.89Å; R308-V326 PolarHBondContact N-O 2.82Å; V326-E328 HydrophobicContact CG1-CG 4.21Å; V326-E328 HydrophobicContact CG2-CG 3.93Å; V326-P367 WeakPolarHBondContact CA-O 2.98Å; V326-P367 WeakPolarHBondContact CG2-O 3.13Å; V326-V368 HydrophobicContact CB-CG2 4.3Å; V326-V368 HydrophobicContact CG2-CG2 3.85Å
327A96.7Very high94.1Very high0 Ų059.5 Ų59.50%030%0.298CS..EExtended strand (participates in β ladder)trans-116.2133.5165.200000110.1T306 V307 L330 N366 P367 F369T306-A327 CarbonylContact O-C 3.55Å; T306-A327 VanDerWaalsContact O-CA 3.27Å; T306-A327 WeakPolarHBondContact O-CA 3.12Å; V307-A327 HydrophobicContact CG2-CB 4.02Å; A327-L330 HydrophobicContact CB-CD1 3.53Å; A327-L330 HydrophobicContact CB-CD2 4.3Å; A327-L330 HydrophobicContact CB-CG 4.05Å; A327-N366 WeakPolarHBondContact O-CA 3.41Å; A327-P367 HydrophobicContact CB-CG 4.18Å; A327-P367 PolarHBondContact N-O 3.48Å; A327-P367 VanDerWaalsContact O-CD 3.27Å; A327-P367 WeakPolarHBondContact O-CD 3.13Å; A327-F369 HydrophobicContact CB-CE2 4.17Å
328E95.1Very high94Very high72 Ų7263.8 Ų63.834%0.33631%0.31SS..EExtended strand (participates in β ladder)trans-126.3154.8-170.8-61.5177.8170.100110.4G305 T306 R308 V326 L330G305-E328 CarbonylContact C-O 3.54Å; G305-E328 WeakPolarHBondContact CA-O 3.46Å; T306-E328 PolarHBondContact N-O 3.18Å; T306-E328 PolarHBondContact O-N 2.74Å; R308-E328 IonicContact NE-OE1 3.56Å; V326-E328 HydrophobicContact CG1-CG 4.21Å; V326-E328 HydrophobicContact CG2-CG 3.93Å; E328-L330 PolarHBondContact O-N 3.18Å; E328-L330 VanDerWaalsContact O-N 3.09Å
329S93.8Very high93.9Very high91 Ų9163.8 Ų63.864%0.63631%0.31SS*.SBendtrans54.131.6175.6-56.20000114.2G305G305-S329 WeakPolarHBondContact CA-O 3.34Å; G305-S329 PolarHBondContact N-O 2.91Å
330L92.5Very high93.9Very high18 Ų1857.7 Ų57.79%0.09429%0.287CS..  trans-80-22179.4-63.3177.1000113.8L301 A327 E328 P367 V392 L405L301-L330 HydrophobicContact CD1-CD2 3.51Å; A327-L330 HydrophobicContact CB-CD1 3.53Å; A327-L330 HydrophobicContact CB-CD2 4.3Å; A327-L330 HydrophobicContact CB-CG 4.05Å; E328-L330 PolarHBondContact O-N 3.18Å; E328-L330 VanDerWaalsContact O-N 3.09Å; L330-P367 HydrophobicContact CD1-CG 4.1Å; L330-V392 HydrophobicContact CD1-CG1 3.69Å; L330-V392 HydrophobicContact CD2-CG1 4.14Å; L330-L405 HydrophobicContact CB-CD1 4.29Å; L330-L405 HydrophobicContact CD1-CD1 4.14Å
331Y92.2Very high93.9Very high33 Ų3358.3 Ų58.313%0.12929%0.29CS..SBendtrans-130.9147.9-171.5-62.6-83.9000110.3V335 I340 N394 L405Y331-V335 HydrophobicContact CD1-CG1 4.18Å; Y331-I340 HydrophobicContact CD1-CD1 4.18Å; Y331-I340 HydrophobicContact CD1-CG1 4.16Å; Y331-I340 HydrophobicContact CD2-CD1 3.96Å; Y331-I340 HydrophobicContact CD2-CG1 4.47Å; Y331-I340 HydrophobicContact CD2-CG2 4.38Å; Y331-I340 HydrophobicContact CE1-CD1 4.35Å; Y331-I340 HydrophobicContact CE1-CG1 3.91Å; Y331-I340 HydrophobicContact CE1-CG2 4.31Å; Y331-I340 HydrophobicContact CE2-CD1 4.16Å; Y331-I340 HydrophobicContact CE2-CG1 4.26Å; Y331-I340 HydrophobicContact CE2-CG2 3.55Å; Y331-I340 HydrophobicContact CG-CD1 3.96Å; Y331-I340 HydrophobicContact CG-CG1 4.41Å; Y331-I340 VanDerWaalsContact CZ-CG2 3.48Å; Y331-I340 VanDerWaalsContact OH-CG2 3.31Å; Y331-I340 WeakPolarHBondContact OH-CG2 3.03Å; Y331-N394 HydrophobicContact CE1-CB 4.38Å; Y331-N394 WeakPolarHBondContact OH-CB 3.4Å; Y331-L405 HydrophobicContact CD1-CD2 4.26Å; Y331-L405 HydrophobicContact CE1-CD1 3.94Å; Y331-L405 HydrophobicContact CE1-CD2 3.66Å; Y331-L405 HydrophobicContact CE1-CG 4.45Å; Y331-L405 HydrophobicContact CE2-CD1 3.82Å; Y331-L405 WeakPolarHBondContact OH-CD1 3.48Å
332D89.4Confident93.9Very high97 Ų9756.9 Ų56.952%0.51928%0.283SS..  trans-67.8151.5167.3-167.1-5.2000110.6H334 V335D332-H334 PolarHBondContact O-N 2.96Å; D332-H334 IonicContact OD1-CD2 3.81Å; D332-H334 IonicContact OD2-CD2 3.92Å; D332-V335 HydrophobicContact CB-CG2 4.2Å; D332-V335 PolarHBondContact O-N 3.48Å
333K88.2Confident94Very high180 Ų18056.9 Ų56.978%0.78328%0.283SS*.THydrogen-bonded Turntrans-59.7-25.6178.2-63.2-178.9-178.2179.10112.1R365K333-R365 PolarHBondContact O-NH2 2.83Å
334H91Very high94Very high167 Ų16753.2 Ų53.277%0.77327%0.269SS*.THydrogen-bonded Turntrans-82.8-14.1-179.3-57.1-63.9000114.7D332 D336D332-H334 PolarHBondContact O-N 2.96Å; D332-H334 IonicContact OD1-CD2 3.81Å; D332-H334 IonicContact OD2-CD2 3.92Å; H334-D336 PolarHBondContact O-N 3.11Å
335V90.3Very high94Very high48 Ų4853.6 Ų53.629%0.29127%0.272SS..SBendtrans-68.9127.9-179.4174.70000110.3Y331 D332 I337 I340 R365Y331-V335 HydrophobicContact CD1-CG1 4.18Å; D332-V335 HydrophobicContact CB-CG2 4.2Å; D332-V335 PolarHBondContact O-N 3.48Å; V335-I337 PolarHBondContact O-N 2.87Å; V335-I340 HydrophobicContact CG1-CD1 4.4Å; V335-I340 HydrophobicContact CG1-CG1 4.23Å; V335-R365 PolarHBondContact O-NH2 3.12Å
336D92.4Very high94Very high95 Ų9552.5 Ų52.551%0.50827%0.266SS..  trans-60.1125.1177.3-179.312.9000111.3H334 K338 S339H334-D336 PolarHBondContact O-N 3.11Å; D336-K338 PolarHBondContact O-N 2.64Å; D336-K338 PolarHBondContact OD1-N 3.1Å; D336-K338 VanDerWaalsContact OD1-N 3.12Å; D336-S339 WeakPolarHBondContact O-CB 3.49Å; D336-S339 PolarHBondContact O-N 3.27Å; D336-S339 PolarHBondContact O-OG 3.26Å
337I93.3Very high94.1Very high68 Ų6852.9 Ų52.935%0.34927%0.267SS..G310 helixtrans-55.4-39.4180-61176000110.5V335 S339 I340 N363 R365V335-I337 PolarHBondContact O-N 2.87Å; I337-S339 PolarHBondContact O-N 3.43Å; I337-S339 VanDerWaalsContact O-N 3.07Å; I337-I340 WeakPolarHBondContact O-CB 3.27Å; I337-I340 PolarHBondContact O-N 3.17Å; I337-N363 HydrophobicContact CG2-CB 3.88Å; I337-N363 WeakPolarHBondContact CG2-O 3.37Å; I337-N363 WeakPolarHBondContact O-CA 3.49Å; I337-R365 VanDerWaalsContact CD1-NH1 3.31Å; I337-R365 VanDerWaalsContact CG1-CZ 3.5Å
338K92.2Very high94.1Very high164 Ų16453 Ų5371%0.71327%0.267SS*.G310 helixtrans-64-17.5-178.6-63178.8179.6177.10113.6D336 N363D336-K338 PolarHBondContact O-N 2.64Å; D336-K338 PolarHBondContact OD1-N 3.1Å; D336-K338 VanDerWaalsContact OD1-N 3.12Å; K338-N363 WeakPolarHBondContact CA-OD1 3.35Å
339S92.4Very high94.1Very high41 Ų4150.6 Ų50.629%0.28726%0.257SS..G310 helixtrans-90.7-0.1178.876.30000113.7D336 I337 N394D336-S339 WeakPolarHBondContact O-CB 3.49Å; D336-S339 PolarHBondContact O-N 3.27Å; D336-S339 PolarHBondContact O-OG 3.26Å; I337-S339 PolarHBondContact O-N 3.43Å; I337-S339 VanDerWaalsContact O-N 3.07Å; S339-N394 PolarHBondContact O-ND2 2.67Å
340I94.6Very high94Very high0 Ų050.9 Ų50.90%026%0.256CS..  trans-94.9120.5-175.8-61.8175.5000110.3Y331 V335 I337 C342 K362 N363 S364 R365Y331-I340 HydrophobicContact CD1-CD1 4.18Å; Y331-I340 HydrophobicContact CD1-CG1 4.16Å; Y331-I340 HydrophobicContact CD2-CD1 3.96Å; Y331-I340 HydrophobicContact CD2-CG1 4.47Å; Y331-I340 HydrophobicContact CD2-CG2 4.38Å; Y331-I340 HydrophobicContact CE1-CD1 4.35Å; Y331-I340 HydrophobicContact CE1-CG1 3.91Å; Y331-I340 HydrophobicContact CE1-CG2 4.31Å; Y331-I340 HydrophobicContact CE2-CD1 4.16Å; Y331-I340 HydrophobicContact CE2-CG1 4.26Å; Y331-I340 HydrophobicContact CE2-CG2 3.55Å; Y331-I340 HydrophobicContact CG-CD1 3.96Å; Y331-I340 HydrophobicContact CG-CG1 4.41Å; Y331-I340 VanDerWaalsContact CZ-CG2 3.48Å; Y331-I340 VanDerWaalsContact OH-CG2 3.31Å; Y331-I340 WeakPolarHBondContact OH-CG2 3.03Å; V335-I340 HydrophobicContact CG1-CD1 4.4Å; V335-I340 HydrophobicContact CG1-CG1 4.23Å; I337-I340 WeakPolarHBondContact O-CB 3.27Å; I337-I340 PolarHBondContact O-N 3.17Å; I340-C342 HydrophobicContact CG2-CB 4.45Å; I340-K362 CarbonylContact O-C 3.54Å; I340-K362 VanDerWaalsContact O-CA 3.3Å; I340-K362 WeakPolarHBondContact O-CA 3.27Å; I340-N363 PolarHBondContact O-N 3.14Å; I340-S364 WeakPolarHBondContact CG2-O 3.44Å; I340-R365 HydrophobicContact CD1-CG 3.58Å
341N95.7Very high93.9Very high13 Ų1353 Ų537%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-133.879.1172.7-56.7-83.5000108.6I360 I361 K362 N394 K395N341-I360 HydrophobicContact CB-CG2 3.78Å; N341-I361 CarbonylContact C-O 3.49Å; N341-I361 WeakPolarHBondContact CA-O 3.35Å; N341-K362 WeakPolarHBondContact OD1-CG 3.4Å; N341-N394 PolarHBondContact N-OD1 3.42Å; N341-N394 CarbonylContact O-C 3.57Å; N341-N394 WeakPolarHBondContact O-CA 3.45Å; N341-N394 PolarHBondContact O-OD1 3.1Å; N341-K395 HydrophobicContact CB-CB 4.04Å; N341-K395 WeakPolarHBondContact CB-O 3.48Å; N341-K395 PolarHBondContact ND2-O 3.4Å; N341-K395 PolarHBondContact O-N 3.01Å
342C96.5Very high93.9Very high0 Ų058.4 Ų58.40%031%0.307CS..EExtended strand (participates in β ladder)trans-83.8138.9-171.8-1670000112.3I340 I360 I361 P367 F369 V392I340-C342 HydrophobicContact CG2-CB 4.45Å; C342-I360 CarbonylContact O-C 3.58Å; C342-I360 WeakPolarHBondContact O-CA 3.22Å; C342-I361 PolarHBondContact N-O 2.59Å; C342-I361 PolarHBondContact O-N 3.07Å; C342-P367 HydrophobicContact CB-CB 4.05Å; C342-P367 HydrophobicContact CB-CG 3.77Å; C342-F369 HydrophobicContact CB-CZ 4.45Å; C342-V392 WeakPolarHBondContact SG-CG1 3.44Å
343C97.3Very high94.2Very high0 Ų057.7 Ų57.70%030%0.303CS..EExtended strand (participates in β ladder)trans-145.7155.3168.265.90000110.6R357 S358 I360 V392 V393C343-R357 PolarHBondContact SG-NE 3.03Å; C343-R357 PolarHBondContact SG-NH2 2.85Å; C343-S358 WeakPolarHBondContact CA-OG 3.33Å; C343-I360 HydrophobicContact CB-CG1 4.12Å; C343-V392 WeakPolarHBondContact O-CA 3.44Å; C343-V393 PolarHBondContact N-O 3.39Å; C343-V393 PolarHBondContact O-N 3.07Å; C343-V393 PolarHBondContact SG-O 3.46Å
344V98Very high94.5Very high0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-112.7130.3176.4-172.50000108.6V324 V346 R357 S358 F369 F390 K391 V392V324-V344 HydrophobicContact CG1-CB 4.49Å; V324-V344 HydrophobicContact CG1-CG2 4.16Å; V344-V346 HydrophobicContact CG1-CG2 3.95Å; V344-R357 WeakPolarHBondContact O-CA 3.4Å; V344-S358 PolarHBondContact N-OG 3.05Å; V344-S358 PolarHBondContact O-N 2.88Å; V344-S358 PolarHBondContact O-OG 3.48Å; V344-F369 HydrophobicContact CG2-CD2 4.16Å; V344-F369 HydrophobicContact CG2-CE1 4.29Å; V344-F369 HydrophobicContact CG2-CE2 3.62Å; V344-F369 HydrophobicContact CG2-CZ 3.7Å; V344-F390 HydrophobicContact CG1-CD1 4.31Å; V344-K391 CarbonylContact C-O 3.44Å; V344-K391 WeakPolarHBondContact CA-O 3.31Å; V344-V392 HydrophobicContact CG1-CG2 4.46Å; V344-V392 HydrophobicContact CG2-CG1 4.36Å; V344-V392 HydrophobicContact CG2-CG2 4.14Å
345S97.8Very high94.8Very high8 Ų851.8 Ų51.86%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-100.7133164.9-51.60000108.9Q356 F390 K391S345-Q356 CarbonylContact C-O 3.54Å; S345-Q356 WeakPolarHBondContact CA-O 3.47Å; S345-F390 CarbonylContact O-C 3.5Å; S345-K391 PolarHBondContact N-O 3.44Å; S345-K391 PolarHBondContact O-N 3.03Å
346V98.1Very high95.2Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-123.4131.8-179.3-166.50000108.1I322 V324 V344 Q356 F373 F375 V388 K389 F390I322-V346 HydrophobicContact CD1-CG1 4.37Å; V324-V346 HydrophobicContact CG2-CG2 3.96Å; V344-V346 HydrophobicContact CG1-CG2 3.95Å; V346-Q356 PolarHBondContact N-O 2.78Å; V346-Q356 PolarHBondContact O-N 3.43Å; V346-F373 HydrophobicContact CB-CG 4.36Å; V346-F373 HydrophobicContact CG2-CD2 3.94Å; V346-F373 HydrophobicContact CG2-CE2 3.94Å; V346-F373 HydrophobicContact CG2-CG 4.25Å; V346-F373 HydrophobicContact CG2-CZ 4.23Å; V346-F375 HydrophobicContact CB-CZ 4.3Å; V346-F375 HydrophobicContact CG1-CE2 4.29Å; V346-F375 HydrophobicContact CG1-CZ 3.8Å; V346-V388 HydrophobicContact CG1-CG2 3.44Å; V346-V388 VanDerWaalsContact CG1-CG2 3.44Å; V346-K389 WeakPolarHBondContact CA-O 3.43Å; V346-F390 HydrophobicContact CG1-CD1 4.04Å; V346-F390 HydrophobicContact CG1-CE1 3.71Å; V346-F390 HydrophobicContact CG1-CZ 4.31Å; V346-F390 HydrophobicContact CG2-CD1 3.85Å; V346-F390 HydrophobicContact CG2-CE1 3.99Å
347Y97.8Very high95.5Very high16 Ų1652.5 Ų52.56%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-155.6160.8178.955.9-88.8000111.1N349 K352 K355 K389Y347-N349 WeakPolarHBondContact CE2-OD1 3.47Å; Y347-K352 HydrophobicContact CD2-CB 4.1Å; Y347-K352 HydrophobicContact CD2-CG 4.08Å; Y347-K352 HydrophobicContact CE2-CB 4.34Å; Y347-K352 HydrophobicContact CE2-CG 3.81Å; Y347-K355 HydrophobicContact CD1-CG 4.18Å; Y347-K355 HydrophobicContact CG-CG 4.45Å; Y347-K389 HydrophobicContact CD2-CB 4.02Å; Y347-K389 HydrophobicContact CE1-CB 4.2Å; Y347-K389 HydrophobicContact CE1-CG 4.12Å; Y347-K389 HydrophobicContact CE2-CB 3.62Å; Y347-K389 HydrophobicContact CE2-CD 3.87Å; Y347-K389 HydrophobicContact CE2-CG 3.94Å; Y347-K389 PolarHBondContact N-O 2.84Å; Y347-K389 PolarHBondContact O-N 3.08Å; Y347-K389 WeakPolarHBondContact OH-CD 3.43Å; Y347-K389 VanDerWaalsContact OH-CE 3.28Å; Y347-K389 WeakPolarHBondContact OH-CE 3.44Å; Y347-K389 WeakPolarHBondContact OH-CG 3.06Å
348L97.3Very high95.7Very high2 Ų249.6 Ų49.61%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-94.2148.4178.6-58.5169.2000111.3L320 K352 L353 F375 I378 S387 V388 L412L320-L348 HydrophobicContact CD2-CD2 3.97Å; L348-K352 CarbonylContact O-C 3.47Å; L348-K352 VanDerWaalsContact O-CA 3.27Å; L348-K352 WeakPolarHBondContact O-CA 3.45Å; L348-K352 PolarHBondContact O-N 3.01Å; L348-L353 HydrophobicContact CB-CB 4.17Å; L348-L353 PolarHBondContact N-O 2.65Å; L348-L353 PolarHBondContact O-N 3.31Å; L348-F375 HydrophobicContact CD1-CB 4.01Å; L348-F375 HydrophobicContact CD1-CD1 3.57Å; L348-F375 HydrophobicContact CD1-CE1 4.3Å; L348-F375 HydrophobicContact CD1-CG 3.97Å; L348-F375 HydrophobicContact CD2-CD1 4.36Å; L348-F375 HydrophobicContact CD2-CE1 4.48Å; L348-F375 HydrophobicContact CG-CD1 3.68Å; L348-F375 HydrophobicContact CG-CE1 3.89Å; L348-F375 HydrophobicContact CG-CG 4.28Å; L348-I378 HydrophobicContact CD1-CD1 3.43Å; L348-I378 VanDerWaalsContact CD1-CD1 3.43Å; L348-I378 HydrophobicContact CD1-CG1 4.29Å; L348-S387 CarbonylContact C-O 3.52Å; L348-S387 WeakPolarHBondContact CA-O 3.44Å; L348-V388 HydrophobicContact CD2-CB 4.32Å; L348-L412 HydrophobicContact CD2-CD1 4.14Å; L348-L412 HydrophobicContact CD2-CD2 4.49Å
349N95.6Very high95.9Very high22 Ų2247.2 Ų47.212%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-127144.6176.2-85.7-13.5000109.9Y347 K352 L386 S387 E409Y347-N349 WeakPolarHBondContact CE2-OD1 3.47Å; N349-K352 PolarHBondContact OD1-N 2.82Å; N349-L386 WeakPolarHBondContact O-CA 3.49Å; N349-L386 VanDerWaalsContact O-CD2 3.27Å; N349-L386 WeakPolarHBondContact O-CD2 3.27Å; N349-S387 PolarHBondContact N-O 2.87Å; N349-S387 PolarHBondContact O-N 3.39Å; N349-E409 WeakPolarHBondContact CB-OE1 3.17Å; N349-E409 PolarHBondContact ND2-OE1 2.7Å; N349-E409 PolarHBondContact ND2-OE2 3.43Å
350P92Very high96.1Very high96 Ų9648.7 Ų48.762%0.62325%0.253SS*.THydrogen-bonded Turncis-79.6151.910.931.6-34000113.8L353P350-L353 WeakPolarHBondContact O-CG 3.46Å
351G89.6Confident96.3Very high62 Ų6250.4 Ų50.464%0.63926%0.262SS*.THydrogen-bonded Turntrans97.59.317000000117.4L353G351-L353 VanDerWaalsContact C-N 3.25Å; G351-L353 PolarHBondContact O-N 3.26Å
352K93.3Very high96.3Very high147 Ų14756.2 Ų56.264%0.63929%0.287SS*.THydrogen-bonded Turntrans52.543.5179.9-58.8175.7-178.3164.10112.9Y347 L348 N349Y347-K352 HydrophobicContact CD2-CB 4.1Å; Y347-K352 HydrophobicContact CD2-CG 4.08Å; Y347-K352 HydrophobicContact CE2-CB 4.34Å; Y347-K352 HydrophobicContact CE2-CG 3.81Å; L348-K352 CarbonylContact O-C 3.47Å; L348-K352 VanDerWaalsContact O-CA 3.27Å; L348-K352 WeakPolarHBondContact O-CA 3.45Å; L348-K352 PolarHBondContact O-N 3.01Å; N349-K352 PolarHBondContact OD1-N 2.82Å
353L94.3Very high96.2Very high83 Ų8360.7 Ų60.744%0.43531%0.311SS..EExtended strand (participates in β ladder)trans-71.3144.5-175.7-51.3173.9000110.4L348 P350 G351 K355L348-L353 HydrophobicContact CB-CB 4.17Å; L348-L353 PolarHBondContact N-O 2.65Å; L348-L353 PolarHBondContact O-N 3.31Å; P350-L353 WeakPolarHBondContact O-CG 3.46Å; G351-L353 VanDerWaalsContact C-N 3.25Å; G351-L353 PolarHBondContact O-N 3.26Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 3.3Å
354Q95.9Very high96.1Very high81 Ų8162.4 Ų62.438%0.37932%0.322SS..EExtended strand (participates in β ladder)trans48.447.8172.1-60.3-175.42500113.2Q356 F375 D376Q354-Q356 PolarHBondContact O-N 2.76Å; Q354-Q356 VanDerWaalsContact O-N 3.15Å; Q354-F375 HydrophobicContact CB-CD1 3.7Å; Q354-F375 HydrophobicContact CB-CE1 4.13Å; Q354-F375 VanDerWaalsContact O-CE1 3.3Å; Q354-F375 WeakPolarHBondContact O-CE1 3.42Å; Q354-F375 VanDerWaalsContact OE1-CB 3.3Å; Q354-D376 PolarHBondContact NE2-O 3.34Å
355K97.4Very high95.8Very high141 Ų14166 Ų6661%0.61334%0.336SS*.EExtended strand (participates in β ladder)trans-65.9117.3-178.1-178.8-176.1175.9-167.30111.3Y347 L353Y347-K355 HydrophobicContact CD1-CG 4.18Å; Y347-K355 HydrophobicContact CG-CG 4.45Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 3.3Å
356Q98.1Very high95.6Very high53 Ų5369.9 Ų69.925%0.24836%0.356CS..EExtended strand (participates in β ladder)trans-115.4162176.1-65.917062.100110.2S345 V346 Q354 F373 F374S345-Q356 CarbonylContact C-O 3.54Å; S345-Q356 WeakPolarHBondContact CA-O 3.47Å; V346-Q356 PolarHBondContact N-O 2.78Å; V346-Q356 PolarHBondContact O-N 3.43Å; Q354-Q356 PolarHBondContact O-N 2.76Å; Q354-Q356 VanDerWaalsContact O-N 3.15Å; Q356-F373 HydrophobicContact CB-CD1 3.46Å; Q356-F373 VanDerWaalsContact CB-CD1 3.46Å; Q356-F373 HydrophobicContact CB-CE1 3.91Å; Q356-F373 HydrophobicContact CG-CD1 4.39Å; Q356-F374 PolarHBondContact NE2-O 3.46Å
357R97.6Very high95.6Very high105 Ų10569.9 Ų69.940%0.39636%0.356SS..EExtended strand (participates in β ladder)trans-144.4138.2-176.6-176.9170173.1-125.3-26.1110.3C343 V344C343-R357 PolarHBondContact SG-NE 3.03Å; C343-R357 PolarHBondContact SG-NH2 2.85Å; V344-R357 WeakPolarHBondContact O-CA 3.4Å
358S98Very high95.5Very high7 Ų773 Ų735%0.04938%0.376CS..PPolyproline II helixtrans-71.4167.717977.60000112.7C343 V344 F369 E371C343-S358 WeakPolarHBondContact CA-OG 3.33Å; V344-S358 PolarHBondContact N-OG 3.05Å; V344-S358 PolarHBondContact O-N 2.88Å; V344-S358 PolarHBondContact O-OG 3.48Å; S358-F369 WeakPolarHBondContact OG-CD1 3.08Å; S358-F369 WeakPolarHBondContact OG-CE1 3.47Å; S358-E371 WeakPolarHBondContact CA-OE2 3.47Å; S358-E371 WeakPolarHBondContact CB-OE2 3.48Å
359N97Very high95.5Very high114 Ų11473.5 Ų73.561%0.6138%0.379SS*.PPolyproline II helixtrans-61.3159.5162.1-58.9-60.9000110.9E371N359-E371 WeakPolarHBondContact CB-OE1 3.32Å; N359-E371 PolarHBondContact N-OE1 3.3Å; N359-E371 PolarHBondContact N-OE2 3.36Å; N359-E371 PolarHBondContact ND2-OE1 3.03Å
360I97.2Very high95.6Very high72 Ų7276.3 Ų76.337%0.36939%0.394SS..PPolyproline II helixtrans-90.6117.5177.8-58.9172.3000108.5N341 C342 C343 K362 K395N341-I360 HydrophobicContact CB-CG2 3.78Å; C342-I360 CarbonylContact O-C 3.58Å; C342-I360 WeakPolarHBondContact O-CA 3.22Å; C343-I360 HydrophobicContact CB-CG1 4.12Å; I360-K362 HydrophobicContact CG2-CG 4.23Å; I360-K395 HydrophobicContact CD1-CB 4.37Å; I360-K395 HydrophobicContact CD1-CG 4.01Å; I360-K395 HydrophobicContact CG1-CG 4.4Å
361I97.1Very high95.9Very high36 Ų3673.4 Ų73.419%0.18537%0.372CS..EExtended strand (participates in β ladder)trans-92.6119.1172.3-61.4177.6000108.5N341 C342 P367 V368 F369N341-I361 CarbonylContact C-O 3.49Å; N341-I361 WeakPolarHBondContact CA-O 3.35Å; C342-I361 PolarHBondContact N-O 2.59Å; C342-I361 PolarHBondContact O-N 3.07Å; I361-P367 HydrophobicContact CB-CB 3.79Å; I361-P367 HydrophobicContact CD1-CB 3.8Å; I361-P367 HydrophobicContact CG1-CB 4.37Å; I361-P367 HydrophobicContact CG2-CB 3.76Å; I361-V368 WeakPolarHBondContact CD1-O 2.96Å; I361-F369 HydrophobicContact CB-CE1 4.45Å; I361-F369 HydrophobicContact CD1-CB 4.44Å; I361-F369 HydrophobicContact CD1-CD1 3.46Å; I361-F369 VanDerWaalsContact CD1-CD1 3.46Å; I361-F369 HydrophobicContact CD1-CD2 4.33Å; I361-F369 HydrophobicContact CD1-CE1 3.6Å; I361-F369 HydrophobicContact CD1-CE2 4.44Å; I361-F369 HydrophobicContact CD1-CG 3.85Å; I361-F369 HydrophobicContact CD1-CZ 4.1Å; I361-F369 HydrophobicContact CG1-CD1 4.04Å; I361-F369 HydrophobicContact CG1-CE1 3.87Å
362K96Very high96.2Very high136 Ų13674 Ų7459%0.59136%0.36SS*.EExtended strand (participates in β ladder)trans-96.5155.6-179-54.7-173.6-178.9171.80110.5I340 N341 I360 S364I340-K362 CarbonylContact O-C 3.54Å; I340-K362 VanDerWaalsContact O-CA 3.3Å; I340-K362 WeakPolarHBondContact O-CA 3.27Å; N341-K362 WeakPolarHBondContact OD1-CG 3.4Å; I360-K362 HydrophobicContact CG2-CG 4.23Å; K362-S364 VanDerWaalsContact C-N 3.26Å; K362-S364 PolarHBondContact O-N 3.09Å
363N94.8Very high96.4Very high94 Ų9467.3 Ų67.350%0.50333%0.331SS..SBendtrans56.835.1166.8-53.3-14.4000114.3I337 K338 I340I337-N363 HydrophobicContact CG2-CB 3.88Å; I337-N363 WeakPolarHBondContact CG2-O 3.37Å; I337-N363 WeakPolarHBondContact O-CA 3.49Å; K338-N363 WeakPolarHBondContact CA-OD1 3.35Å; I340-N363 PolarHBondContact O-N 3.14Å
364S94.6Very high96.6Very high35 Ų3568.7 Ų68.725%0.24533%0.334CS..  trans-142.2131.6177.8-178.60000112I340 K362 N366I340-S364 WeakPolarHBondContact CG2-O 3.44Å; K362-S364 VanDerWaalsContact C-N 3.26Å; K362-S364 PolarHBondContact O-N 3.09Å; S364-N366 VanDerWaalsContact OG-C 3.29Å; S364-N366 PolarHBondContact OG-N 3.23Å; S364-N366 PolarHBondContact OG-O 2.77Å
365R93Very high96.6Very high75 Ų7564.8 Ų64.828%0.28332%0.316SS..SBendtrans-78.9-23.2173-68.7-173.4-177.198.6-3113.1K333 V335 I337 I340 P367K333-R365 PolarHBondContact O-NH2 2.83Å; V335-R365 PolarHBondContact O-NH2 3.12Å; I337-R365 VanDerWaalsContact CD1-NH1 3.31Å; I337-R365 VanDerWaalsContact CG1-CZ 3.5Å; I340-R365 HydrophobicContact CD1-CG 3.58Å; R365-P367 VanDerWaalsContact O-CD 3.3Å; R365-P367 WeakPolarHBondContact O-CD 3.44Å
366N93.8Very high96.5Very high90 Ų9061.2 Ų61.248%0.48130%0.303SS..SBendtrans-120.271.1177.5-60.3-36.8000108.4A327 S364 V368A327-N366 WeakPolarHBondContact O-CA 3.41Å; S364-N366 VanDerWaalsContact OG-C 3.29Å; S364-N366 PolarHBondContact OG-N 3.23Å; S364-N366 PolarHBondContact OG-O 2.77Å; N366-V368 PolarHBondContact O-N 3.04Å
367P96.4Very high96.4Very high0 Ų063.5 Ų63.50%033%0.325CS..  trans-64.7121.3-178.727.2-36.8000111V326 A327 L330 C342 I361 R365 F369V326-P367 WeakPolarHBondContact CA-O 2.98Å; V326-P367 WeakPolarHBondContact CG2-O 3.13Å; A327-P367 HydrophobicContact CB-CG 4.18Å; A327-P367 PolarHBondContact N-O 3.48Å; A327-P367 VanDerWaalsContact O-CD 3.27Å; A327-P367 WeakPolarHBondContact O-CD 3.13Å; L330-P367 HydrophobicContact CD1-CG 4.1Å; C342-P367 HydrophobicContact CB-CB 4.05Å; C342-P367 HydrophobicContact CB-CG 3.77Å; I361-P367 HydrophobicContact CB-CB 3.79Å; I361-P367 HydrophobicContact CD1-CB 3.8Å; I361-P367 HydrophobicContact CG1-CB 4.37Å; I361-P367 HydrophobicContact CG2-CB 3.76Å; R365-P367 VanDerWaalsContact O-CD 3.3Å; R365-P367 WeakPolarHBondContact O-CD 3.44Å; P367-F369 HydrophobicContact CB-CE2 3.81Å; P367-F369 HydrophobicContact CB-CZ 3.75Å; P367-F369 HydrophobicContact CG-CE2 3.86Å; P367-F369 HydrophobicContact CG-CZ 3.98Å
368V97.4Very high96.2Very high81 Ų8158.7 Ų58.749%0.49131%0.307SS..EExtended strand (participates in β ladder)trans-98.7109.4175.6-179.70000108.8L325 V326 I361 N366 N370L325-V368 CarbonylContact O-C 3.59Å; L325-V368 WeakPolarHBondContact O-CA 3.28Å; V326-V368 HydrophobicContact CB-CG2 4.3Å; V326-V368 HydrophobicContact CG2-CG2 3.85Å; I361-V368 WeakPolarHBondContact CD1-O 2.96Å; N366-V368 PolarHBondContact O-N 3.04Å; V368-N370 VanDerWaalsContact CG1-ND2 3.35Å; V368-N370 WeakPolarHBondContact CG1-ND2 3.13Å
369F97.6Very high96Very high14 Ų1460.5 Ų60.56%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-86.7-52.6-177-61.8-82.6000111.4V324 L325 A327 C342 V344 S358 I361 P367 E371V324-F369 HydrophobicContact CB-CB 4.48Å; V324-F369 HydrophobicContact CG1-CB 4.17Å; V324-F369 HydrophobicContact CG1-CD2 3.85Å; V324-F369 HydrophobicContact CG1-CG 4.19Å; V324-F369 WeakPolarHBondContact O-CB 3.35Å; L325-F369 PolarHBondContact O-N 3.45Å; A327-F369 HydrophobicContact CB-CE2 4.17Å; C342-F369 HydrophobicContact CB-CZ 4.45Å; V344-F369 HydrophobicContact CG2-CD2 4.16Å; V344-F369 HydrophobicContact CG2-CE1 4.29Å; V344-F369 HydrophobicContact CG2-CE2 3.62Å; V344-F369 HydrophobicContact CG2-CZ 3.7Å; S358-F369 WeakPolarHBondContact OG-CD1 3.08Å; S358-F369 WeakPolarHBondContact OG-CE1 3.47Å; I361-F369 HydrophobicContact CB-CE1 4.45Å; I361-F369 HydrophobicContact CD1-CB 4.44Å; I361-F369 HydrophobicContact CD1-CD1 3.46Å; I361-F369 VanDerWaalsContact CD1-CD1 3.46Å; I361-F369 HydrophobicContact CD1-CD2 4.33Å; I361-F369 HydrophobicContact CD1-CE1 3.6Å; I361-F369 HydrophobicContact CD1-CE2 4.44Å; I361-F369 HydrophobicContact CD1-CG 3.85Å; I361-F369 HydrophobicContact CD1-CZ 4.1Å; I361-F369 HydrophobicContact CG1-CD1 4.04Å; I361-F369 HydrophobicContact CG1-CE1 3.87Å; P367-F369 HydrophobicContact CB-CE2 3.81Å; P367-F369 HydrophobicContact CB-CZ 3.75Å; P367-F369 HydrophobicContact CG-CE2 3.86Å; P367-F369 HydrophobicContact CG-CZ 3.98Å; F369-E371 HydrophobicContact CB-CB 4.41Å; F369-E371 HydrophobicContact CB-CG 4.25Å; F369-E371 WeakPolarHBondContact O-CG 3.3Å; F369-E371 PolarHBondContact O-N 3.42Å
370N96.8Very high95.7Very high80 Ų8057.2 Ų57.243%0.42831%0.306SS..EExtended strand (participates in β ladder)trans49.434.2-170.5-64.2-30000113.4V324 L325 V368V324-N370 CarbonylContact O-C 3.48Å; V324-N370 VanDerWaalsContact O-CA 3.27Å; V324-N370 WeakPolarHBondContact O-CA 3.41Å; V324-N370 PolarHBondContact O-N 3.17Å; L325-N370 PolarHBondContact O-N 2.89Å; V368-N370 VanDerWaalsContact CG1-ND2 3.35Å; V368-N370 WeakPolarHBondContact CG1-ND2 3.13Å
371E97.4Very high95.4Very high35 Ų3558.9 Ų58.916%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-101.9135.5-174.6-69.5-178.2-155.600111.7R323 V324 S358 N359 F369 F373R323-E371 CarbonylContact C-O 3.59Å; R323-E371 WeakPolarHBondContact CA-O 3.47Å; V324-E371 PolarHBondContact N-O 2.83Å; V324-E371 PolarHBondContact O-N 3.5Å; S358-E371 WeakPolarHBondContact CA-OE2 3.47Å; S358-E371 WeakPolarHBondContact CB-OE2 3.48Å; N359-E371 WeakPolarHBondContact CB-OE1 3.32Å; N359-E371 PolarHBondContact N-OE1 3.3Å; N359-E371 PolarHBondContact N-OE2 3.36Å; N359-E371 PolarHBondContact ND2-OE1 3.03Å; F369-E371 HydrophobicContact CB-CB 4.41Å; F369-E371 HydrophobicContact CB-CG 4.25Å; F369-E371 WeakPolarHBondContact O-CG 3.3Å; F369-E371 PolarHBondContact O-N 3.42Å; E371-F373 HydrophobicContact CB-CE2 4.12Å; E371-F373 HydrophobicContact CB-CZ 4.3Å
372D97.2Very high95.1Very high74 Ų7461.6 Ų61.640%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-94.5130.5178.1-65.8-29000110.9L321 R323 F374L321-D372 HydrophobicContact CD1-CB 3.99Å; R323-D372 VanDerWaalsContact CB-OD1 3.22Å; R323-D372 WeakPolarHBondContact CB-OD1 3.15Å; R323-D372 WeakPolarHBondContact CD-OD1 3.43Å; R323-D372 WeakPolarHBondContact CG-OD1 3.43Å; R323-D372 IonicContact NE-OD1 3.56Å; D372-F374 HydrophobicContact CB-CE2 3.79Å; D372-F374 HydrophobicContact CB-CZ 4Å
373F97.8Very high95Very high7 Ų755.1 Ų55.13%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-112.6120.5174.5-62.7-80.7000109I322 V324 V346 Q356 E371 F375I322-F373 HydrophobicContact CB-CB 4.45Å; I322-F373 PolarHBondContact N-O 3.35Å; I322-F373 WeakPolarHBondContact O-CB 3.37Å; I322-F373 WeakPolarHBondContact O-CD2 3.08Å; I322-F373 PolarHBondContact O-N 2.84Å; V324-F373 HydrophobicContact CB-CE2 3.97Å; V324-F373 HydrophobicContact CG2-CD2 3.82Å; V324-F373 HydrophobicContact CG2-CE2 3.52Å; V346-F373 HydrophobicContact CB-CG 4.36Å; V346-F373 HydrophobicContact CG2-CD2 3.94Å; V346-F373 HydrophobicContact CG2-CE2 3.94Å; V346-F373 HydrophobicContact CG2-CG 4.25Å; V346-F373 HydrophobicContact CG2-CZ 4.23Å; Q356-F373 HydrophobicContact CB-CD1 3.46Å; Q356-F373 VanDerWaalsContact CB-CD1 3.46Å; Q356-F373 HydrophobicContact CB-CE1 3.91Å; Q356-F373 HydrophobicContact CG-CD1 4.39Å; E371-F373 HydrophobicContact CB-CE2 4.12Å; E371-F373 HydrophobicContact CB-CZ 4.3Å; F373-F375 HydrophobicContact CB-CE2 3.81Å; F373-F375 HydrophobicContact CB-CZ 4.23Å
374F97.1Very high94.8Very high112 Ų11255.7 Ų55.749%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-102.2127.3-178-62.5-89.1000109.6L321 Q356 D372L321-F374 HydrophobicContact CD1-CD1 3.62Å; L321-F374 HydrophobicContact CD1-CE1 3.17Å; L321-F374 HydrophobicContact CD1-CE2 4.32Å; L321-F374 HydrophobicContact CD1-CG 4.38Å; L321-F374 HydrophobicContact CD1-CZ 3.56Å; Q356-F374 PolarHBondContact NE2-O 3.46Å; D372-F374 HydrophobicContact CB-CE2 3.79Å; D372-F374 HydrophobicContact CB-CZ 4Å
375F96.8Very high94.7Very high0 Ų060 Ų600%032%0.321CS..EExtended strand (participates in β ladder)trans-117.9113.9173.5-54.6-96.5000109.7R319 L320 I322 V346 L348 Q354 F373 I378R319-F375 WeakPolarHBondContact CA-O 3.48Å; L320-F375 HydrophobicContact CB-CB 4.16Å; L320-F375 HydrophobicContact CD2-CB 4.48Å; L320-F375 HydrophobicContact CD2-CD2 4.06Å; L320-F375 HydrophobicContact CD2-CG 4.43Å; L320-F375 HydrophobicContact CG-CD2 4.26Å; L320-F375 PolarHBondContact N-O 3.26Å; L320-F375 PolarHBondContact O-N 3Å; I322-F375 HydrophobicContact CB-CE2 4.19Å; I322-F375 HydrophobicContact CD1-CD2 4.31Å; I322-F375 HydrophobicContact CD1-CE2 3.76Å; I322-F375 HydrophobicContact CG1-CD2 4.32Å; I322-F375 HydrophobicContact CG1-CE2 3.97Å; V346-F375 HydrophobicContact CB-CZ 4.3Å; V346-F375 HydrophobicContact CG1-CE2 4.29Å; V346-F375 HydrophobicContact CG1-CZ 3.8Å; L348-F375 HydrophobicContact CD1-CB 4.01Å; L348-F375 HydrophobicContact CD1-CD1 3.57Å; L348-F375 HydrophobicContact CD1-CE1 4.3Å; L348-F375 HydrophobicContact CD1-CG 3.97Å; L348-F375 HydrophobicContact CD2-CD1 4.36Å; L348-F375 HydrophobicContact CD2-CE1 4.48Å; L348-F375 HydrophobicContact CG-CD1 3.68Å; L348-F375 HydrophobicContact CG-CE1 3.89Å; L348-F375 HydrophobicContact CG-CG 4.28Å; Q354-F375 HydrophobicContact CB-CD1 3.7Å; Q354-F375 HydrophobicContact CB-CE1 4.13Å; Q354-F375 VanDerWaalsContact O-CE1 3.3Å; Q354-F375 WeakPolarHBondContact O-CE1 3.42Å; Q354-F375 VanDerWaalsContact OE1-CB 3.3Å; F373-F375 HydrophobicContact CB-CE2 3.81Å; F373-F375 HydrophobicContact CB-CZ 4.23Å; F375-I378 HydrophobicContact CB-CD1 3.62Å; F375-I378 HydrophobicContact CB-CG1 4.38Å
376D95.2Very high94.9Very high65 Ų6557.3 Ų57.335%0.34831%0.313SS..  trans-90.3161.8-176.4-68.2-57.3000111.7R319 Q354 I378R319-D376 WeakPolarHBondContact CD-OD1 3.5Å; R319-D376 WeakPolarHBondContact CG-OD1 3.15Å; R319-D376 IonicContact CZ-OD1 3.37Å; R319-D376 IonicContact NE-OD1 2.84Å; R319-D376 PolarHBondContact NE-OD1 3.27Å; R319-D376 IonicContact NH2-OD1 2.67Å; Q354-D376 PolarHBondContact NE2-O 3.34Å; D376-I378 VanDerWaalsContact C-N 3.32Å; D376-I378 PolarHBondContact O-N 3.02Å
377S95Very high95Very high102 Ų10254.1 Ų54.171%0.71330%0.297SS*.SBendtrans61.836.1170.9-48.70000113.8S318S318-S377 PolarHBondContact O-N 3.4Å
378I94.3Very high95.1Very high3 Ų354.1 Ų54.12%0.01530%0.297CS..  trans-103.1112.3174.4-47.7-175.9000109.3Y313 S318 L320 L348 F375 D376 Q382 V383 L386Y313-I378 HydrophobicContact CE2-CB 4.33Å; Y313-I378 WeakPolarHBondContact CE2-O 3.49Å; Y313-I378 PolarHBondContact OH-O 3.39Å; S318-I378 WeakPolarHBondContact CA-O 3.47Å; S318-I378 WeakPolarHBondContact CB-O 3.42Å; S318-I378 PolarHBondContact O-N 3.43Å; L320-I378 HydrophobicContact CB-CD1 3.73Å; L320-I378 HydrophobicContact CD2-CD1 3.91Å; L348-I378 HydrophobicContact CD1-CD1 3.43Å; L348-I378 VanDerWaalsContact CD1-CD1 3.43Å; L348-I378 HydrophobicContact CD1-CG1 4.29Å; F375-I378 HydrophobicContact CB-CD1 3.62Å; F375-I378 HydrophobicContact CB-CG1 4.38Å; D376-I378 VanDerWaalsContact C-N 3.32Å; D376-I378 PolarHBondContact O-N 3.02Å; I378-Q382 HydrophobicContact CG2-CB 4.15Å; I378-V383 HydrophobicContact CB-CG2 4.48Å; I378-V383 HydrophobicContact CG2-CG2 3.51Å; I378-L386 HydrophobicContact CG2-CD1 3.69Å
379S93.1Very high95.1Very high46 Ų4651.9 Ų51.932%0.32228%0.281SS..  trans-76152.9175.675.50000111.9Y313 V381 Q382 V383Y313-S379 VanDerWaalsContact OH-C 3.27Å; S379-V381 PolarHBondContact O-N 3.07Å; S379-V381 VanDerWaalsContact O-N 3.16Å; S379-Q382 VanDerWaalsContact N-OE1 3.07Å; S379-Q382 WeakPolarHBondContact O-CA 3.34Å; S379-Q382 WeakPolarHBondContact O-CB 3.35Å; S379-Q382 PolarHBondContact O-N 2.8Å; S379-Q382 VanDerWaalsContact OG-CG 3.3Å; S379-Q382 WeakPolarHBondContact OG-CG 3Å; S379-Q382 PolarHBondContact OG-N 2.73Å; S379-Q382 PolarHBondContact OG-OE1 3.1Å; S379-V383 WeakPolarHBondContact O-CG2 3.3Å; S379-V383 PolarHBondContact O-N 3.31Å
380S90.6Very high95.1Very high44 Ų4451.2 Ų51.231%0.30828%0.278SS..Hα-helixtrans-55.5-36.3-179.7174.10000112.8Y313 V383Y313-S380 PolarHBondContact OH-N 3.25Å; S380-V383 PolarHBondContact O-N 3.02Å
381V91.8Very high95.1Very high107 Ų10750.8 Ų50.865%0.64827%0.272SS*.Hα-helixtrans-65.5-40.7175.1-176.90000111.5S379 K384 N385S379-V381 PolarHBondContact O-N 3.07Å; S379-V381 VanDerWaalsContact O-N 3.16Å; V381-K384 PolarHBondContact O-N 3.13Å; V381-N385 PolarHBondContact O-ND2 3.33Å
382Q91.7Very high95.1Very high93 Ų9349.1 Ų49.144%0.43527%0.265SS..Hα-helixtrans-66.9-38.9176.8-73.8171.6-27.700111.7I378 S379 K384 N385 L386I378-Q382 HydrophobicContact CG2-CB 4.15Å; S379-Q382 VanDerWaalsContact N-OE1 3.07Å; S379-Q382 WeakPolarHBondContact O-CA 3.34Å; S379-Q382 WeakPolarHBondContact O-CB 3.35Å; S379-Q382 PolarHBondContact O-N 2.8Å; S379-Q382 VanDerWaalsContact OG-CG 3.3Å; S379-Q382 WeakPolarHBondContact OG-CG 3Å; S379-Q382 PolarHBondContact OG-N 2.73Å; S379-Q382 PolarHBondContact OG-OE1 3.1Å; Q382-K384 PolarHBondContact O-N 3.15Å; Q382-K384 VanDerWaalsContact O-N 3.13Å; Q382-N385 CarbonylContact O-C 3.59Å; Q382-N385 PolarHBondContact O-N 3.1Å; Q382-L386 HydrophobicContact CB-CD1 4.08Å; Q382-L386 HydrophobicContact CB-CG 4.49Å; Q382-L386 VanDerWaalsContact O-CG 3.25Å; Q382-L386 WeakPolarHBondContact O-CG 3.31Å; Q382-L386 PolarHBondContact O-N 3.05Å
383V92.4Very high95.1Very high0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-53.7-38.1179.9-1770000111.6Y313 I378 S379 S380 N385 L386 L412 L416 L419Y313-V383 HydrophobicContact CD1-CG2 4.29Å; Y313-V383 HydrophobicContact CD2-CG2 3.87Å; Y313-V383 HydrophobicContact CE1-CG2 3.95Å; Y313-V383 HydrophobicContact CE2-CG2 3.52Å; Y313-V383 HydrophobicContact CG-CG2 4.23Å; I378-V383 HydrophobicContact CB-CG2 4.48Å; I378-V383 HydrophobicContact CG2-CG2 3.51Å; S379-V383 WeakPolarHBondContact O-CG2 3.3Å; S379-V383 PolarHBondContact O-N 3.31Å; S380-V383 PolarHBondContact O-N 3.02Å; V383-N385 PolarHBondContact O-N 3.49Å; V383-L386 PolarHBondContact O-N 3.15Å; V383-L412 HydrophobicContact CG1-CB 3.7Å; V383-L412 HydrophobicContact CG1-CD1 3.91Å; V383-L412 HydrophobicContact CG1-CG 4.48Å; V383-L412 WeakPolarHBondContact O-CB 3.43Å; V383-L416 HydrophobicContact CG1-CD1 3.43Å; V383-L416 VanDerWaalsContact CG1-CD1 3.43Å; V383-L419 HydrophobicContact CB-CD1 4.04Å; V383-L419 HydrophobicContact CG1-CD1 3.31Å
384K90.9Very high95Very high107 Ų10747 Ų4747%0.46525%0.254SS..Hα-helixtrans-64.9-27.2179-62-175.2-177.2-166.60113.5V381 Q382 L419V381-K384 PolarHBondContact O-N 3.13Å; Q382-K384 PolarHBondContact O-N 3.15Å; Q382-K384 VanDerWaalsContact O-N 3.13Å; K384-L419 WeakPolarHBondContact CE-OXT 3.45Å; K384-L419 VanDerWaalsContact NZ-C 3.32Å; K384-L419 PolarHBondContact NZ-O 3Å; K384-L419 PolarHBondContact NZ-OXT 2.96Å
385N93.3Very high94.9Very high125 Ų12544 Ų4467%0.66824%0.241SC*.Hα-helixtrans-101.5-10.4-177-62.8-35.7000113.4V381 Q382 V383V381-N385 PolarHBondContact O-ND2 3.33Å; Q382-N385 CarbonylContact O-C 3.59Å; Q382-N385 PolarHBondContact O-N 3.1Å; V383-N385 PolarHBondContact O-N 3.49Å
386L95.8Very high94.7Very high19 Ų1945.2 Ų45.210%0.09925%0.253CS..  trans-93150.7-178-71.3175.4000111.8N349 I378 Q382 V383 L412N349-L386 WeakPolarHBondContact O-CA 3.49Å; N349-L386 VanDerWaalsContact O-CD2 3.27Å; N349-L386 WeakPolarHBondContact O-CD2 3.27Å; I378-L386 HydrophobicContact CG2-CD1 3.69Å; Q382-L386 HydrophobicContact CB-CD1 4.08Å; Q382-L386 HydrophobicContact CB-CG 4.49Å; Q382-L386 VanDerWaalsContact O-CG 3.25Å; Q382-L386 WeakPolarHBondContact O-CG 3.31Å; Q382-L386 PolarHBondContact O-N 3.05Å; V383-L386 PolarHBondContact O-N 3.15Å; L386-L412 HydrophobicContact CB-CD1 3.69Å; L386-L412 HydrophobicContact CB-CG 4.31Å; L386-L412 PolarHBondContact O-N 2.83Å
387S97.1Very high94.2Very high23 Ų2346 Ų4616%0.16126%0.26CS..EExtended strand (participates in β ladder)trans-122.8145.1169.6-63.10000109.7L348 N349 V410 P411L348-S387 CarbonylContact C-O 3.52Å; L348-S387 WeakPolarHBondContact CA-O 3.44Å; N349-S387 PolarHBondContact N-O 2.87Å; N349-S387 PolarHBondContact O-N 3.39Å; S387-V410 CarbonylContact C-O 3.55Å; S387-V410 WeakPolarHBondContact CA-O 3.27Å; S387-P411 WeakPolarHBondContact OG-CA 3.48Å
388V97.6Very high93.5Very high0 Ų047.7 Ų47.70%027%0.272CS..EExtended strand (participates in β ladder)trans-94.3135.8167.757.10000109.4I322 V346 L348 F390 E409 V410 L412 L415I322-V388 HydrophobicContact CD1-CB 3.88Å; I322-V388 HydrophobicContact CD1-CG1 4.13Å; I322-V388 HydrophobicContact CD1-CG2 3.54Å; V346-V388 HydrophobicContact CG1-CG2 3.44Å; V346-V388 VanDerWaalsContact CG1-CG2 3.44Å; L348-V388 HydrophobicContact CD2-CB 4.32Å; V388-F390 HydrophobicContact CB-CE2 4.24Å; V388-F390 HydrophobicContact CB-CZ 4.43Å; V388-F390 HydrophobicContact CG1-CD2 4.43Å; V388-F390 HydrophobicContact CG1-CE2 3.49Å; V388-F390 VanDerWaalsContact CG1-CE2 3.49Å; V388-F390 HydrophobicContact CG1-CZ 3.88Å; V388-F390 HydrophobicContact CG2-CD2 4.34Å; V388-F390 HydrophobicContact CG2-CE1 4.22Å; V388-F390 HydrophobicContact CG2-CE2 3.76Å; V388-F390 HydrophobicContact CG2-CZ 3.66Å; V388-E409 CarbonylContact O-C 3.6Å; V388-E409 WeakPolarHBondContact O-CA 3.35Å; V388-V410 HydrophobicContact CG1-CB 4.44Å; V388-V410 PolarHBondContact N-O 3.1Å; V388-V410 PolarHBondContact O-N 3.16Å; V388-L412 HydrophobicContact CB-CD2 3.9Å; V388-L412 HydrophobicContact CG1-CD2 3.82Å; V388-L415 HydrophobicContact CG1-CD1 3.38Å
389K97.6Very high92.9Very high34 Ų3455.5 Ų55.515%0.14831%0.313CS..EExtended strand (participates in β ladder)trans-112.8121.7174.3-173.2155.7176.2169.90110.7V346 Y347 E407 R408 E409V346-K389 WeakPolarHBondContact CA-O 3.43Å; Y347-K389 HydrophobicContact CD2-CB 4.02Å; Y347-K389 HydrophobicContact CE1-CB 4.2Å; Y347-K389 HydrophobicContact CE1-CG 4.12Å; Y347-K389 HydrophobicContact CE2-CB 3.62Å; Y347-K389 HydrophobicContact CE2-CD 3.87Å; Y347-K389 HydrophobicContact CE2-CG 3.94Å; Y347-K389 PolarHBondContact N-O 2.84Å; Y347-K389 PolarHBondContact O-N 3.08Å; Y347-K389 WeakPolarHBondContact OH-CD 3.43Å; Y347-K389 VanDerWaalsContact OH-CE 3.28Å; Y347-K389 WeakPolarHBondContact OH-CE 3.44Å; Y347-K389 WeakPolarHBondContact OH-CG 3.06Å; K389-E407 VanDerWaalsContact CE-OE1 3.28Å; K389-E407 WeakPolarHBondContact CE-OE1 3.32Å; K389-E407 IonicContact NZ-OE1 3.58Å; K389-E407 PolarHBondContact NZ-OE1 3.4Å; K389-E407 IonicContact NZ-OE2 2.59Å; K389-R408 CarbonylContact C-O 3.53Å; K389-R408 WeakPolarHBondContact CA-O 3.46Å; K389-E409 HydrophobicContact CB-CB 4.42Å; K389-E409 HydrophobicContact CB-CG 4.46Å; K389-E409 HydrophobicContact CD-CB 4.25Å; K389-E409 HydrophobicContact CG-CB 4.35Å
390F97.8Very high92.7Very high0 Ų059.9 Ų59.90%033%0.326CS..EExtended strand (participates in β ladder)trans-96131.7172.6-60.2-85.1000109I299 I309 I322 V324 V344 S345 V346 V388 E407 R408I299-F390 HydrophobicContact CD1-CD2 3.76Å; I299-F390 HydrophobicContact CD1-CE2 3.39Å; I299-F390 HydrophobicContact CD1-CZ 4.09Å; I309-F390 HydrophobicContact CD1-CE1 4.47Å; I309-F390 HydrophobicContact CD1-CE2 4.05Å; I309-F390 HydrophobicContact CD1-CZ 3.61Å; I309-F390 HydrophobicContact CG2-CD1 4.49Å; I309-F390 HydrophobicContact CG2-CE1 3.88Å; I309-F390 HydrophobicContact CG2-CZ 4.06Å; I322-F390 HydrophobicContact CD1-CZ 4.47Å; I322-F390 HydrophobicContact CG2-CE1 3.81Å; I322-F390 HydrophobicContact CG2-CZ 3.82Å; V324-F390 HydrophobicContact CG2-CD1 4.42Å; V324-F390 HydrophobicContact CG2-CE1 4.14Å; V344-F390 HydrophobicContact CG1-CD1 4.31Å; S345-F390 CarbonylContact O-C 3.5Å; V346-F390 HydrophobicContact CG1-CD1 4.04Å; V346-F390 HydrophobicContact CG1-CE1 3.71Å; V346-F390 HydrophobicContact CG1-CZ 4.31Å; V346-F390 HydrophobicContact CG2-CD1 3.85Å; V346-F390 HydrophobicContact CG2-CE1 3.99Å; V388-F390 HydrophobicContact CB-CE2 4.24Å; V388-F390 HydrophobicContact CB-CZ 4.43Å; V388-F390 HydrophobicContact CG1-CD2 4.43Å; V388-F390 HydrophobicContact CG1-CE2 3.49Å; V388-F390 VanDerWaalsContact CG1-CE2 3.49Å; V388-F390 HydrophobicContact CG1-CZ 3.88Å; V388-F390 HydrophobicContact CG2-CD2 4.34Å; V388-F390 HydrophobicContact CG2-CE1 4.22Å; V388-F390 HydrophobicContact CG2-CE2 3.76Å; V388-F390 HydrophobicContact CG2-CZ 3.66Å; F390-E407 CarbonylContact O-C 3.6Å; F390-E407 WeakPolarHBondContact O-CA 3.48Å; F390-E407 WeakPolarHBondContact O-CB 3.36Å; F390-R408 PolarHBondContact N-O 2.95Å; F390-R408 PolarHBondContact O-N 3.36Å
391K97.4Very high92.9Very high71 Ų7168.5 Ų68.531%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-130.8109.1175.4-170.2-179.8-176.8169.70109.9V344 S345 V393 L404 E407V344-K391 CarbonylContact C-O 3.44Å; V344-K391 WeakPolarHBondContact CA-O 3.31Å; S345-K391 PolarHBondContact N-O 3.44Å; S345-K391 PolarHBondContact O-N 3.03Å; K391-V393 HydrophobicContact CD-CG2 4.27Å; K391-V393 HydrophobicContact CG-CG2 3.96Å; K391-L404 HydrophobicContact CD-CD1 4.16Å; K391-L404 VanDerWaalsContact CE-CD1 3.47Å; K391-L404 HydrophobicContact CG-CD1 3.52Å; K391-E407 HydrophobicContact CB-CB 4.35Å; K391-E407 HydrophobicContact CG-CB 4.19Å
392V97.6Very high93Very high0 Ų067.2 Ų67.20%034%0.341CS..EExtended strand (participates in β ladder)trans-93.3123.2179.2-166.80000109.6L301 V307 L330 C342 C343 V344 L404 L405 G406L301-V392 HydrophobicContact CD1-CB 4.17Å; L301-V392 HydrophobicContact CD1-CG2 3.58Å; L301-V392 HydrophobicContact CD2-CG2 4.27Å; V307-V392 HydrophobicContact CG2-CG2 3.67Å; L330-V392 HydrophobicContact CD1-CG1 3.69Å; L330-V392 HydrophobicContact CD2-CG1 4.14Å; C342-V392 WeakPolarHBondContact SG-CG1 3.44Å; C343-V392 WeakPolarHBondContact O-CA 3.44Å; V344-V392 HydrophobicContact CG1-CG2 4.46Å; V344-V392 HydrophobicContact CG2-CG1 4.36Å; V344-V392 HydrophobicContact CG2-CG2 4.14Å; V392-L404 WeakPolarHBondContact O-CD1 3.48Å; V392-L405 HydrophobicContact CB-CB 4.41Å; V392-L405 HydrophobicContact CG1-CB 4.33Å; V392-L405 HydrophobicContact CG1-CD1 4.05Å; V392-L405 PolarHBondContact O-N 3.27Å; V392-G406 PolarHBondContact N-O 3.1Å; V392-G406 PolarHBondContact O-N 2.9Å
393V96.8Very high93.2Very high12 Ų1266.5 Ų66.57%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-130.2132-173-178.80000109.7C343 K391 K395 D402 T403 L404C343-V393 PolarHBondContact N-O 3.39Å; C343-V393 PolarHBondContact O-N 3.07Å; C343-V393 PolarHBondContact SG-O 3.46Å; K391-V393 HydrophobicContact CD-CG2 4.27Å; K391-V393 HydrophobicContact CG-CG2 3.96Å; V393-K395 HydrophobicContact CG1-CD 4.39Å; V393-D402 HydrophobicContact CG1-CB 3.78Å; V393-T403 WeakPolarHBondContact CA-O 3.15Å; V393-L404 HydrophobicContact CG2-CD1 4.3Å
394N96.1Very high93.3Very high23 Ų2368.6 Ų68.612%0.12336%0.355CS..EExtended strand (participates in β ladder)trans-81.8112.4162.5-171.58.7000108.6Y331 S339 N341 G396 D402 T403 L405Y331-N394 HydrophobicContact CE1-CB 4.38Å; Y331-N394 WeakPolarHBondContact OH-CB 3.4Å; S339-N394 PolarHBondContact O-ND2 2.67Å; N341-N394 PolarHBondContact N-OD1 3.42Å; N341-N394 CarbonylContact O-C 3.57Å; N341-N394 WeakPolarHBondContact O-CA 3.45Å; N341-N394 PolarHBondContact O-OD1 3.1Å; N394-G396 PolarHBondContact O-N 3.21Å; N394-D402 WeakPolarHBondContact O-CA 3.23Å; N394-T403 PolarHBondContact N-O 3.34Å; N394-T403 PolarHBondContact O-N 2.86Å; N394-L405 HydrophobicContact CB-CD1 4.06Å; N394-L405 HydrophobicContact CB-CD2 3.97Å; N394-L405 HydrophobicContact CB-CG 4.04Å
395K95.3Very high93.5Very high50 Ų5064.5 Ų64.522%0.21734%0.338CS..PPolyproline II helixtrans-72126.1177.2-77.5-56.9-160.7168.60111N341 I360 V393 D402N341-K395 HydrophobicContact CB-CB 4.04Å; N341-K395 WeakPolarHBondContact CB-O 3.48Å; N341-K395 PolarHBondContact ND2-O 3.4Å; N341-K395 PolarHBondContact O-N 3.01Å; I360-K395 HydrophobicContact CD1-CB 4.37Å; I360-K395 HydrophobicContact CD1-CG 4.01Å; I360-K395 HydrophobicContact CG1-CG 4.4Å; V393-K395 HydrophobicContact CG1-CD 4.39Å; K395-D402 WeakPolarHBondContact CA-OD1 3.49Å; K395-D402 WeakPolarHBondContact CD-OD1 3.44Å; K395-D402 WeakPolarHBondContact CD-OD2 3.21Å; K395-D402 WeakPolarHBondContact CE-OD2 3.07Å; K395-D402 IonicContact NZ-OD1 3.83Å; K395-D402 IonicContact NZ-OD2 2.86Å; K395-D402 PolarHBondContact NZ-OD2 3.23Å
396G90.8Very high93.7Very high25 Ų2558.6 Ų58.626%0.25831%0.306SS..PPolyproline II helixtrans-70.2142.3174.800000111N394 K400 D402N394-G396 PolarHBondContact O-N 3.21Å; G396-K400 VanDerWaalsContact CA-O 3.31Å; G396-K400 WeakPolarHBondContact CA-O 3.38Å; G396-D402 PolarHBondContact N-OD1 3.22Å
397T86.1Confident93.7Very high81 Ų8159.9 Ų59.950%0.49731%0.312SS..PPolyproline II helixtrans-84.5123.1170.153.70000109.4L399 K400T397-L399 PolarHBondContact O-N 2.88Å; T397-K400 PolarHBondContact O-N 2.95Å
398S78.9Confident93.7Very high138 Ų13864.6 Ų64.697%0.96533%0.326SS*.THydrogen-bonded Turntrans50.9-82174.3-1720000114.8
399L83Confident93.7Very high167 Ų16768.5 Ų68.587%0.87434%0.344SS*.THydrogen-bonded Turntrans-94.3-18.8-176.6-166.362.6000113.8T397T397-L399 PolarHBondContact O-N 2.88Å
400K88.9Confident93.6Very high139 Ų13967.7 Ų67.760%0.60434%0.342SS*.SBendtrans-73.2138.3177.3-75.2-174177.4179.30109.7G396 T397G396-K400 VanDerWaalsContact CA-O 3.31Å; G396-K400 WeakPolarHBondContact CA-O 3.38Å; T397-K400 PolarHBondContact O-N 2.95Å
401R93.6Very high93.6Very high225 Ų22569.9 Ų69.985%0.84936%0.356SS*.PPolyproline II helixtrans-74.5152.5172.8-53.3-170.4-148.5104.51.3110.3T403R401-T403 PolarHBondContact O-N 3.38Å
402D94.8Very high93.4Very high79 Ų7966.5 Ų66.542%0.42234%0.341SS..PPolyproline II helixtrans-61.5133.1169.5-69.9-13.6000110.9V393 N394 K395 G396V393-D402 HydrophobicContact CG1-CB 3.78Å; N394-D402 WeakPolarHBondContact O-CA 3.23Å; K395-D402 WeakPolarHBondContact CA-OD1 3.49Å; K395-D402 WeakPolarHBondContact CD-OD1 3.44Å; K395-D402 WeakPolarHBondContact CD-OD2 3.21Å; K395-D402 WeakPolarHBondContact CE-OD2 3.07Å; K395-D402 IonicContact NZ-OD1 3.83Å; K395-D402 IonicContact NZ-OD2 2.86Å; K395-D402 PolarHBondContact NZ-OD2 3.23Å; G396-D402 PolarHBondContact N-OD1 3.22Å
403T95Very high93.2Very high79 Ų7969 Ų6949%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-109.2120.6178.5-56.40000109.5V393 N394 R401 L405V393-T403 WeakPolarHBondContact CA-O 3.15Å; N394-T403 PolarHBondContact N-O 3.34Å; N394-T403 PolarHBondContact O-N 2.86Å; R401-T403 PolarHBondContact O-N 3.38Å; T403-L405 PolarHBondContact O-N 3.32Å
404L96.1Very high92.9Very high44 Ų4475.9 Ų75.923%0.2339%0.391CS..EExtended strand (participates in β ladder)trans-71.4111173.2175.358.2000109.6K303 K391 V392 V393 G406 E407K303-L404 PolarHBondContact NZ-O 2.65Å; K391-L404 HydrophobicContact CD-CD1 4.16Å; K391-L404 VanDerWaalsContact CE-CD1 3.47Å; K391-L404 HydrophobicContact CG-CD1 3.52Å; V392-L404 WeakPolarHBondContact O-CD1 3.48Å; V393-L404 HydrophobicContact CG2-CD1 4.3Å; L404-G406 WeakPolarHBondContact CD1-O 3.49Å; L404-E407 HydrophobicContact CD1-CB 4.36Å
405L95.1Very high92.7Very high21 Ų2175 Ų7511%0.1139%0.387CS..EExtended strand (participates in β ladder)trans-81.4-36.5177.5-59.4175.8000111.5K303 L330 Y331 V392 N394 T403K303-L405 WeakPolarHBondContact CB-O 3.47Å; L330-L405 HydrophobicContact CB-CD1 4.29Å; L330-L405 HydrophobicContact CD1-CD1 4.14Å; Y331-L405 HydrophobicContact CD1-CD2 4.26Å; Y331-L405 HydrophobicContact CE1-CD1 3.94Å; Y331-L405 HydrophobicContact CE1-CD2 3.66Å; Y331-L405 HydrophobicContact CE1-CG 4.45Å; Y331-L405 HydrophobicContact CE2-CD1 3.82Å; Y331-L405 WeakPolarHBondContact OH-CD1 3.48Å; V392-L405 HydrophobicContact CB-CB 4.41Å; V392-L405 HydrophobicContact CG1-CB 4.33Å; V392-L405 HydrophobicContact CG1-CD1 4.05Å; V392-L405 PolarHBondContact O-N 3.27Å; N394-L405 HydrophobicContact CB-CD1 4.06Å; N394-L405 HydrophobicContact CB-CD2 3.97Å; N394-L405 HydrophobicContact CB-CG 4.04Å; T403-L405 PolarHBondContact O-N 3.32Å
406G96.1Very high92.5Very high0 Ų073.3 Ų73.30%038%0.38CS..EExtended strand (participates in β ladder)trans-179.2159.2179.800000111.6V392 L404V392-G406 PolarHBondContact N-O 3.1Å; V392-G406 PolarHBondContact O-N 2.9Å; L404-G406 WeakPolarHBondContact CD1-O 3.49Å
407E96.4Very high91.6Very high47 Ų4776.2 Ų76.222%0.2240%0.396CS..EExtended strand (participates in β ladder)trans-150148.3176.997.8-172.3-172.600109.4H302 K389 F390 K391 L404H302-E407 WeakPolarHBondContact CE1-CG 3.34Å; H302-E407 PolarHBondContact CE1-N 3.09Å; H302-E407 PolarHBondContact N-O 2.8Å; H302-E407 VanDerWaalsContact N-O 3.11Å; H302-E407 WeakPolarHBondContact ND1-CA 3.33Å; H302-E407 WeakPolarHBondContact ND1-CG 3.12Å; H302-E407 PolarHBondContact ND1-N 3.41Å; H302-E407 PolarHBondContact ND1-O 2.68Å; K389-E407 VanDerWaalsContact CE-OE1 3.28Å; K389-E407 WeakPolarHBondContact CE-OE1 3.32Å; K389-E407 IonicContact NZ-OE1 3.58Å; K389-E407 PolarHBondContact NZ-OE1 3.4Å; K389-E407 IonicContact NZ-OE2 2.59Å; F390-E407 CarbonylContact O-C 3.6Å; F390-E407 WeakPolarHBondContact O-CA 3.48Å; F390-E407 WeakPolarHBondContact O-CB 3.36Å; K391-E407 HydrophobicContact CB-CB 4.35Å; K391-E407 HydrophobicContact CG-CB 4.19Å; L404-E407 HydrophobicContact CD1-CB 4.36Å
408R97.3Very high90.5Very high121 Ų12176.4 Ų76.446%0.45741%0.414SS..EExtended strand (participates in β ladder)trans-151137.4175.6-169.965.1170.6-164.2-1.3109I299 N300 L301 K389 F390 V410I299-R408 HydrophobicContact CG2-CB 3.66Å; I299-R408 HydrophobicContact CG2-CG 3.44Å; I299-R408 VanDerWaalsContact CG2-CG 3.44Å; N300-R408 WeakPolarHBondContact O-CD 3.15Å; N300-R408 VanDerWaalsContact O-CG 3.3Å; N300-R408 WeakPolarHBondContact O-CG 3.36Å; L301-R408 HydrophobicContact CD2-CB 3.97Å; K389-R408 CarbonylContact C-O 3.53Å; K389-R408 WeakPolarHBondContact CA-O 3.46Å; F390-R408 PolarHBondContact N-O 2.95Å; F390-R408 PolarHBondContact O-N 3.36Å; R408-V410 HydrophobicContact CG-CG2 3.93Å
409E97.1Very high89.4Confident82 Ų8273.7 Ų73.738%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-105.6130.1171.6-175.2161.6-16900108.6N349 V388 K389N349-E409 WeakPolarHBondContact CB-OE1 3.17Å; N349-E409 PolarHBondContact ND2-OE1 2.7Å; N349-E409 PolarHBondContact ND2-OE2 3.43Å; V388-E409 CarbonylContact O-C 3.6Å; V388-E409 WeakPolarHBondContact O-CA 3.35Å; K389-E409 HydrophobicContact CB-CB 4.42Å; K389-E409 HydrophobicContact CB-CG 4.46Å; K389-E409 HydrophobicContact CD-CB 4.25Å; K389-E409 HydrophobicContact CG-CB 4.35Å
410V96.6Very high89.8Confident17 Ų1769.1 Ų69.110%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-130.7123.3-177.7-171.20000108.7I299 S387 V388 R408 L412 K414 L415I299-V410 HydrophobicContact CD1-CG2 3.91Å; I299-V410 HydrophobicContact CG1-CG2 4.26Å; I299-V410 HydrophobicContact CG2-CG2 3.82Å; S387-V410 CarbonylContact C-O 3.55Å; S387-V410 WeakPolarHBondContact CA-O 3.27Å; V388-V410 HydrophobicContact CG1-CB 4.44Å; V388-V410 PolarHBondContact N-O 3.1Å; V388-V410 PolarHBondContact O-N 3.16Å; R408-V410 HydrophobicContact CG-CG2 3.93Å; V410-L412 PolarHBondContact O-N 2.9Å; V410-K414 HydrophobicContact CG1-CB 4.38Å; V410-L415 HydrophobicContact CB-CD1 4.22Å; V410-L415 HydrophobicContact CB-CG 4.42Å; V410-L415 HydrophobicContact CG1-CD1 4.06Å; V410-L415 HydrophobicContact CG1-CD2 3.77Å; V410-L415 HydrophobicContact CG1-CG 3.71Å
411P95.9Very high89.8Confident46 Ų4665.4 Ų65.430%0.29935%0.352SS..EExtended strand (participates in β ladder)trans-56.6134.3172.1-24.833.7000111.3S387 A413 K414S387-P411 WeakPolarHBondContact OG-CA 3.48Å; P411-A413 PolarHBondContact O-N 3Å; P411-K414 HydrophobicContact CB-CG 4.31Å; P411-K414 HydrophobicContact CG-CD 4.27Å; P411-K414 WeakPolarHBondContact O-CB 3.15Å; P411-K414 PolarHBondContact O-N 3.11Å
412L94.8Very high89.6Confident0 Ų056.5 Ų56.50%032%0.324CS..Hα-helixtrans-62.5-32.1179.4-66.8-178.3000111.8L320 L348 V383 L386 V388 V410 K414 L415 L416L320-L412 HydrophobicContact CD2-CD1 3.76Å; L320-L412 HydrophobicContact CD2-CD2 3.73Å; L320-L412 HydrophobicContact CD2-CG 4.44Å; L348-L412 HydrophobicContact CD2-CD1 4.14Å; L348-L412 HydrophobicContact CD2-CD2 4.49Å; V383-L412 HydrophobicContact CG1-CB 3.7Å; V383-L412 HydrophobicContact CG1-CD1 3.91Å; V383-L412 HydrophobicContact CG1-CG 4.48Å; V383-L412 WeakPolarHBondContact O-CB 3.43Å; L386-L412 HydrophobicContact CB-CD1 3.69Å; L386-L412 HydrophobicContact CB-CG 4.31Å; L386-L412 PolarHBondContact O-N 2.83Å; V388-L412 HydrophobicContact CB-CD2 3.9Å; V388-L412 HydrophobicContact CG1-CD2 3.82Å; V410-L412 PolarHBondContact O-N 2.9Å; L412-K414 PolarHBondContact O-N 3.44Å; L412-K414 VanDerWaalsContact O-N 3.1Å; L412-L415 HydrophobicContact CD2-CD1 4.49Å; L412-L415 PolarHBondContact O-N 2.93Å; L412-L416 HydrophobicContact CB-CD1 4.14Å; L412-L416 WeakPolarHBondContact O-CB 3.14Å; L412-L416 PolarHBondContact O-N 3.27Å
413A92Very high89.3Confident54 Ų5455.2 Ų55.245%0.44632%0.318SS..Hα-helixtrans-57.2-22.8172.900000114.3P411P411-A413 PolarHBondContact O-N 3Å
414K91.9Very high88.9Confident155 Ų15553.7 Ų53.767%0.67431%0.308SS*.Hα-helixtrans-87.9-25.7175.7-67.4-174-179178.70113.1V410 P411 L412V410-K414 HydrophobicContact CG1-CB 4.38Å; P411-K414 HydrophobicContact CB-CG 4.31Å; P411-K414 HydrophobicContact CG-CD 4.27Å; P411-K414 WeakPolarHBondContact O-CB 3.15Å; P411-K414 PolarHBondContact O-N 3.11Å; L412-K414 PolarHBondContact O-N 3.44Å; L412-K414 VanDerWaalsContact O-N 3.1Å
415L91.9Very high88.5Confident6 Ų654.3 Ų54.33%0.03131%0.313CS..Hα-helixtrans-87.6-31.1-179.3-64.2179.2000111.5H297 I299 I309 A311 V388 V410 L412H297-L415 HydrophobicContact CB-CD2 3.98Å; H297-L415 PolarHBondContact CE1-O 3.34Å; H297-L415 PolarHBondContact NE2-O 3.03Å; I299-L415 HydrophobicContact CD1-CD2 4.4Å; I309-L415 HydrophobicContact CD1-CD1 3.93Å; I309-L415 HydrophobicContact CD1-CD2 4.04Å; A311-L415 HydrophobicContact CB-CB 3.99Å; V388-L415 HydrophobicContact CG1-CD1 3.38Å; V410-L415 HydrophobicContact CB-CD1 4.22Å; V410-L415 HydrophobicContact CB-CG 4.42Å; V410-L415 HydrophobicContact CG1-CD1 4.06Å; V410-L415 HydrophobicContact CG1-CD2 3.77Å; V410-L415 HydrophobicContact CG1-CG 3.71Å; L412-L415 HydrophobicContact CD2-CD1 4.49Å; L412-L415 PolarHBondContact O-N 2.93Å
416L90.7Very high88Confident14 Ų1456.7 Ų56.77%0.07333%0.328CS..SBendtrans-106.5103-175.7-57.4167.7000107.7A311 Y313 L320 V383 L412 L419A311-L416 HydrophobicContact CB-CD2 3.96Å; Y313-L416 HydrophobicContact CG-CD1 4.32Å; L320-L416 HydrophobicContact CD1-CD1 3.85Å; L320-L416 HydrophobicContact CD1-CD2 4.13Å; L320-L416 HydrophobicContact CD1-CG 4.49Å; V383-L416 HydrophobicContact CG1-CD1 3.43Å; V383-L416 VanDerWaalsContact CG1-CD1 3.43Å; L412-L416 HydrophobicContact CB-CD1 4.14Å; L412-L416 WeakPolarHBondContact O-CB 3.14Å; L412-L416 PolarHBondContact O-N 3.27Å; L416-L419 HydrophobicContact CB-CD1 3.6Å; L416-L419 HydrophobicContact CB-CG 4.42Å; L416-L419 HydrophobicContact CD1-CD1 3.7Å; L416-L419 HydrophobicContact CG-CD1 4.33Å
417S71.3Confident87.4Confident85 Ų8561.1 Ų61.159%0.59435%0.353SS*.THydrogen-bonded Turntrans-79.2121.6172.8450000110R295R295-S417 VanDerWaalsContact NH1-CB 3.32Å; R295-S417 PolarHBondContact NH1-OG 2.84Å
418G63.6Low86.6Confident85 Ų8562.3 Ų62.388%0.87636%0.364SS*.THydrogen-bonded Turntrans11325.3172.300000116.5
419L56.1Low85.6Confident82 Ų8256.9 Ų56.943%0.42936%0.355SS..  trans-96.60178.2-84.7166.6000115.3Y313 V383 K384 L416Y313-L419 HydrophobicContact CD1-CD2 3.83Å; Y313-L419 HydrophobicContact CE1-CD2 3.96Å; V383-L419 HydrophobicContact CB-CD1 4.04Å; V383-L419 HydrophobicContact CG1-CD1 3.31Å; K384-L419 WeakPolarHBondContact CE-OXT 3.45Å; K384-L419 VanDerWaalsContact NZ-C 3.32Å; K384-L419 PolarHBondContact NZ-O 3Å; K384-L419 PolarHBondContact NZ-OXT 2.96Å; L416-L419 HydrophobicContact CB-CD1 3.6Å; L416-L419 HydrophobicContact CB-CG 4.42Å; L416-L419 HydrophobicContact CD1-CD1 3.7Å; L416-L419 HydrophobicContact CG-CD1 4.33Å

Retrieved 419 of 419 residues in 50.8 ms (Link to these results)