A0A087YPL6_POEFO Loading...

Far upstream element (FUSE) binding protein 3

AlphaFold DB , UniProt , Accession A0A087YPL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 560 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
1M40.8Very low38.7Very low222 Ų222156.1 Ų156.1100%1.09479%0.792SS**  0117.10-79.2163.7169.700106.4
2M38.3Very low38.1Very low149 Ų149149.8 Ų149.873%0.73480%0.796SS**  68.513683.4-67.7166.3124.400111.8
3M36.2Very low37.6Very low148 Ų148153.2 Ų153.273%0.72980%0.804SS**  cis-155.1138.8-11-106.4161.4164.300104.6
4M39.5Very low37.2Very low164 Ų164149.6 Ų149.681%0.80881%0.808SS**  6182.866.9-154.6176.7-170.500113.6
5M49.2Very low36.9Very low183 Ų183147.5 Ų147.590%0.90181%0.808SS**  trans-122115.2140.4-66.7-177.917800104.5
6M40Very low36.5Very low167 Ų167147.3 Ų147.382%0.82381%0.813SS**  54.5104.782.5-77.5-175161.900110.8
7A38.6Very low36.2Very low81 Ų81143.8 Ų143.867%0.66981%0.807SS**  97.1142.878.400000109.2
8E36Very low36.6Very low158 Ų158146.3 Ų146.374%0.73881%0.811SS**  cis-164.3155.4-2-117.4-175.9110.200108.4
9L36.8Very low36.8Very low138 Ų138145.2 Ų145.272%0.72381%0.811SS**  trans61.8161.5151.8-90.152.4000118.3
10I35.7Very low36.7Very low131 Ų131141.6 Ų141.667%0.67281%0.809SS**  cis-142.4176.3-4.3-147.7156.9000113.1
11Q34.4Very low37.2Very low176 Ų176140.5 Ų140.582%0.82281%0.805SS**  trans-56.2163.6-175.1-56.9146.8-58.900117.5
12G32.3Very low37.7Very low81 Ų81139.2 Ų139.284%0.83579%0.793SS**  trans-176.763.416700000115.1
13Q31.5Very low38.3Very low194 Ų194138.2 Ų138.291%0.90779%0.791SS**  trans-85.5133.1174.6-80.7-172-21.100112.6
14A31.2Very low39.1Very low103 Ų103137.7 Ų137.785%0.85179%0.791SS**  trans-154.6111153.600000110.3
15S32.4Very low39.6Very low117 Ų117137 Ų13782%0.81878%0.784SS**  trans-93.1149.9173.7-47.80000110.5
16V31.7Very low40Very low145 Ų145130.4 Ų130.488%0.87976%0.758SS**  trans-172.2137.5139.1134.30000113
17A30.7Very low40.8Very low87 Ų87126 Ų12672%0.71974%0.738SS**  trans36.1128.3157.500000123
18Q43.7Very low41.5Very low189 Ų189125.7 Ų125.788%0.88373%0.728SS**  trans-72.2153.4143.6-66176.7-32.600110.7
19P41Very low42.5Very low125 Ų125122.1 Ų122.181%0.81271%0.713SS**  trans-118.8165.3132.635.5-29.8000110.7
20G34.7Very low43.3Very low74 Ų74123.1 Ų123.176%0.76371%0.707SS**  cis130.798.27.700000109.4
21T46.1Very low44.1Very low118 Ų118125.2 Ų125.272%0.72471%0.707SS**SBendtrans-47.1140.8-170.647.20000117.6D23T21-D23 VanDerWaalsContact C-N 3.34Å; T21-D23 PolarHBondContact O-N 3.47Å
22K51.3Low44.9Very low195 Ų195121.4 Ų121.485%0.84870%0.695SS**SBendtrans62-31.8147.8-81.6-175.4172179.20121.7
23D52.2Low45.6Very low128 Ų128126.8 Ų126.868%0.68469%0.69SS**THydrogen-bonded Turntrans-78.2-26.1-166.6-74-73.4000115.3T21 F25 A26T21-D23 VanDerWaalsContact C-N 3.34Å; T21-D23 PolarHBondContact O-N 3.47Å; D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 2.88Å; D23-A26 WeakPolarHBondContact O-CB 3.25Å; D23-A26 PolarHBondContact O-N 3.24Å
24D52.1Low46.3Very low137 Ų137124.8 Ų124.873%0.73368%0.681SS**Hα-helixtrans-59.1-32.8-177.2-163.2-100.1000113.9A26 D27 T28D24-A26 VanDerWaalsContact C-N 3.3Å; D24-A26 PolarHBondContact O-N 3.26Å; D24-D27 PolarHBondContact O-N 3.11Å; D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 PolarHBondContact O-OG1 2.85Å
25F50.2Low46.9Very low151 Ų151127.2 Ų127.266%0.66268%0.677SS**Hα-helixtrans-66.2-31.3177.3-170-105.8000112.7D23 I29D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 2.88Å; F25-I29 HydrophobicContact CD1-CD1 3.93Å; F25-I29 HydrophobicContact CE1-CD1 3.44Å; F25-I29 VanDerWaalsContact CE1-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 PolarHBondContact O-N 2.76Å
26A57.1Low47.2Very low44 Ų44125.6 Ų125.636%0.36467%0.67SS.*Hα-helixtrans-72.3-37.5-178.200000112.1D23 D24 I29 R30D23-A26 WeakPolarHBondContact O-CB 3.25Å; D23-A26 PolarHBondContact O-N 3.24Å; D24-A26 VanDerWaalsContact C-N 3.3Å; D24-A26 PolarHBondContact O-N 3.26Å; A26-I29 PolarHBondContact O-N 2.84Å; A26-R30 WeakPolarHBondContact O-CG 3.13Å; A26-R30 PolarHBondContact O-N 2.88Å; A26-R30 VanDerWaalsContact O-N 3.16Å
27D56.8Low47.7Very low75 Ų75122.9 Ų122.940%0.40166%0.663SS.*Hα-helixtrans-77.5-32.8-179.4-131.6-106.4000112.4D24 I29 R30 R31D24-D27 PolarHBondContact O-N 3.11Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 3.4Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.14Å; D27-R30 WeakPolarHBondContact OD2-CD 3.28Å; D27-R30 IonicContact OD2-CZ 3.75Å; D27-R30 IonicContact OD2-NH1 2.68Å; D27-R30 PolarHBondContact OD2-NH1 3Å; D27-R31 PolarHBondContact O-N 3.24Å
28T54.1Low48.3Very low73 Ų73127.4 Ų127.445%0.44867%0.666SS.*Hα-helixtrans-56.5-46.8167.8-620000111.6D24 R30 R31 V32D24-T28 PolarHBondContact O-N 3.09Å; D24-T28 PolarHBondContact O-OG1 2.85Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.19Å; T28-R31 PolarHBondContact O-N 3.03Å; T28-V32 WeakPolarHBondContact O-CG2 3.41Å; T28-V32 PolarHBondContact O-N 3.5Å; T28-V32 VanDerWaalsContact O-N 3.09Å
29I56.7Low48Very low83 Ų83127.3 Ų127.343%0.42667%0.668SS.*Hα-helixtrans-65.8-33.3177.1-73.9179.3000112.5F25 A26 D27 R33F25-I29 HydrophobicContact CD1-CD1 3.93Å; F25-I29 HydrophobicContact CE1-CD1 3.44Å; F25-I29 VanDerWaalsContact CE1-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 PolarHBondContact O-N 2.76Å; A26-I29 PolarHBondContact O-N 2.84Å; D27-I29 VanDerWaalsContact C-N 3.35Å; D27-I29 PolarHBondContact O-N 3.4Å; I29-R33 PolarHBondContact O-N 3.39Å
30R52.7Low47.5Very low160 Ų160125.3 Ų125.360%0.60467%0.67SS**Hα-helixtrans-63.9-44.1173.2-72.7171.8-179.4152.3-1.3112A26 D27 T28 R33 Q34A26-R30 WeakPolarHBondContact O-CG 3.13Å; A26-R30 PolarHBondContact O-N 2.88Å; A26-R30 VanDerWaalsContact O-N 3.16Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.14Å; D27-R30 WeakPolarHBondContact OD2-CD 3.28Å; D27-R30 IonicContact OD2-CZ 3.75Å; D27-R30 IonicContact OD2-NH1 2.68Å; D27-R30 PolarHBondContact OD2-NH1 3Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.19Å; R30-R33 PolarHBondContact O-N 3.42Å; R30-Q34 PolarHBondContact O-N 3.26Å
31R53.4Low47.3Very low175 Ų175125.2 Ų125.266%0.6667%0.669SS**Hα-helixtrans-62.3-43.7176.1-75.3-177.7173.5171.6-0.4112.3D27 T28 R33 Q34 M35D27-R31 PolarHBondContact O-N 3.24Å; T28-R31 PolarHBondContact O-N 3.03Å; R31-R33 PolarHBondContact O-N 3.14Å; R31-Q34 PolarHBondContact O-N 2.94Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; R31-M35 PolarHBondContact O-N 3.15Å
32V51.1Low46.7Very low95 Ų95126.3 Ų126.358%0.57667%0.67SS**Hα-helixtrans-62.2-41.3176.71750000111.4T28 Q34 M35 A36T28-V32 WeakPolarHBondContact O-CG2 3.41Å; T28-V32 PolarHBondContact O-N 3.5Å; T28-V32 VanDerWaalsContact O-N 3.09Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 2.84Å; V32-M35 PolarHBondContact O-N 3.1Å; V32-A36 PolarHBondContact O-N 2.98Å; V32-A36 VanDerWaalsContact O-N 3.14Å
33R46.4Very low45.6Very low194 Ų194125 Ų12573%0.73267%0.668SS**Hα-helixtrans-61.6-36.1172.7-94.1-174.6171.3174.5-1.1113.5I29 R30 R31 M35 A36 A37I29-R33 PolarHBondContact O-N 3.39Å; R30-R33 PolarHBondContact O-N 3.42Å; R31-R33 PolarHBondContact O-N 3.14Å; R33-M35 VanDerWaalsContact C-N 3.34Å; R33-A36 PolarHBondContact O-N 3.34Å; R33-A37 WeakPolarHBondContact O-CB 3.46Å; R33-A37 PolarHBondContact O-N 3.46Å; R33-A37 VanDerWaalsContact O-N 3.15Å
34Q47.3Very low44.7Very low152 Ų152127.2 Ų127.271%0.7168%0.676SS**Hα-helixtrans-68.5-30176.7-98.6-175.9-14.900113.6R30 R31 V32R30-Q34 PolarHBondContact O-N 3.26Å; R31-Q34 PolarHBondContact O-N 2.94Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 2.84Å
35M43.4Very low44.2Very low155 Ų155126.8 Ų126.876%0.76468%0.681SS**Hα-helixtrans-72.6-42.8172.6-66.8-173.9177.800111.6R31 V32 R33 A37 K38R31-M35 PolarHBondContact O-N 3.15Å; V32-M35 PolarHBondContact O-N 3.1Å; R33-M35 VanDerWaalsContact C-N 3.34Å; M35-A37 PolarHBondContact O-N 3.43Å; M35-K38 PolarHBondContact O-N 3.19Å
36A39.3Very low43.3Very low83 Ų83125.9 Ų125.969%0.68668%0.683SS**Hα-helixtrans-62.5-25.3176.900000113.6V32 R33 K38V32-A36 PolarHBondContact O-N 2.98Å; V32-A36 VanDerWaalsContact O-N 3.14Å; R33-A36 PolarHBondContact O-N 3.34Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.04Å
37A41Very low42Very low87 Ų87132.9 Ų132.972%0.71971%0.71SS**THydrogen-bonded Turntrans-80.41.818000000115R33 M35R33-A37 WeakPolarHBondContact O-CB 3.46Å; R33-A37 PolarHBondContact O-N 3.46Å; R33-A37 VanDerWaalsContact O-N 3.15Å; M35-A37 PolarHBondContact O-N 3.43Å
38K43.1Very low40.7Very low183 Ų183136 Ų13680%0.79673%0.727SS**THydrogen-bonded Turntrans-120.212.9-169.1-144.6-178.6178.6-176.90116M35 A36M35-K38 PolarHBondContact O-N 3.19Å; A36-K38 VanDerWaalsContact C-N 3.29Å; A36-K38 PolarHBondContact O-N 3.04Å
39M37.1Very low39.7Very low187 Ų187136.6 Ų136.692%0.92173%0.734SS**  trans-135.290.7167.6-65-168.8-159.100110.4
40G30.2Very low38.5Very low82 Ų82138 Ų13885%0.84575%0.751SS**  trans-152.6133.6173.100000109.8
41G31.8Very low37.5Very low73 Ų73136 Ų13675%0.75376%0.76SS**  trans107.8127.2-161.500000109.5
42D32.3Very low36.8Very low140 Ų140133.2 Ų133.275%0.74977%0.765SS**  cis-146.9155.625.9-114.9-68.5000115.1
43Q29.7Very low36Very low169 Ų169135 Ų13579%0.7978%0.775SS**  trans55.1118.3154.1-74.6159.375.300122.6
44M32.9Very low35.4Very low173 Ų173133.5 Ų133.585%0.85278%0.781SS**  trans-73.4168.7146.8-68.3179.8165.700110.8
45P42.2Very low34.6Very low129 Ų129132.6 Ų132.684%0.83878%0.781SS**  -127.7147106.236.3-32.5000115.1
46N30.5Very low34.6Very low132 Ų132129.7 Ų129.771%0.70677%0.773SS**  trans-73.1137.4170.5163.929.2000111.3
47M30.3Very low34.3Very low191 Ų191131 Ų13194%0.94178%0.777SS**  trans-141.4160.9150.5-83.1-143.2171.200112.8
48N29.7Very low34Very low141 Ų141134.1 Ų134.175%0.75478%0.781SS**  trans-124160.6-158.4175.522.1000110.9
49S31.8Very low33.8Very low84 Ų84135.9 Ų135.959%0.58778%0.784SS**  trans74.4115.6157.5-670000120.4
50S32.7Very low33.6Very low113 Ų113129.7 Ų129.779%0.7977%0.769SS**  81148.6120.8-56.30000121.6
51C30.8Very low33.8Very low118 Ų118136.4 Ų136.480%0.79778%0.775SS**PPolyproline II helixtrans-77.1155.7177.7-41.30000112.6
52P39.3Very low33.8Very low117 Ų117136.5 Ų136.576%0.7678%0.776SS**PPolyproline II helixtrans-90.9127.4152.833.4-27.4000110.9
53V33.4Very low34Very low131 Ų131133.6 Ų133.679%0.79478%0.779SS**PPolyproline II helixtrans-93.3132.3157.7172.10000107.4
54I35.3Very low34.1Very low164 Ų164135 Ų13584%0.84179%0.786SS**  trans-133.4127.3160.8-55.4-179.6000106.5
55D29.9Very low34.3Very low133 Ų133135.7 Ų135.771%0.71178%0.784SS**  trans-118.9-149.1-172.8-165.922.1000109.9
56P43.1Very low33.8Very low94 Ų94141.3 Ų141.361%0.6179%0.788SS**  -106.5178.8-116.233.5-19.4000115.6
57S33.4Very low34.1Very low109 Ų109140.5 Ų140.576%0.76279%0.793SS**  trans97.593.4152.5-43.40000118.1
58L33.5Very low34.5Very low154 Ų154139 Ų13981%0.80679%0.788SS**  trans-153.380.8150.8-153.565.1000114.2
59Y39Very low34.8Very low219 Ų219138.5 Ų138.586%0.85979%0.785SS**  trans63.1150.1166.9-64.1-104000117.8
60G33.7Very low35Very low58 Ų58141.3 Ų141.360%0.59879%0.794SS**  cis133.3125-600000112.7
61F33.7Very low35.1Very low223 Ų223138.9 Ų138.998%0.97879%0.787SS**  trans68.4147.5-168.4-69.9-99.2000115.2
62G32Very low35.4Very low74 Ų74140.6 Ų140.676%0.76379%0.793SS**  cis173.6126.2-7.700000110.6
63G36.3Very low35.3Very low80 Ų80138.2 Ų138.283%0.82579%0.79SS**  trans-103.1134.1-169.200000114.8
64Q32.4Very low35.8Very low198 Ų198139.7 Ų139.793%0.92579%0.793SS**  trans-149.6134.4161.6-155.6154.3-81.600114.7
65K37.3Very low36.1Very low188 Ų188139.4 Ų139.482%0.81779%0.788SS**  trans-39.9134.7-179.4-54.9166.4175.71760116.6
66R31.9Very low36.6Very low247 Ų247140.8 Ų140.893%0.93279%0.794SS**  -173.3-179.594.7-116.7175.1-70.1-164.42.2113.9
67S36.8Very low36.5Very low115 Ų115139.5 Ų139.580%0.80480%0.799SS**  trans-98.8168.5-178.5-171.70000112.3
68L38.3Very low36.9Very low159 Ų159138.4 Ų138.483%0.83280%0.796SS**  trans119.2105.8150.4-162.269.7000117.6
69D36.8Very low37.5Very low131 Ų131139 Ų13970%0.70180%0.8SS**  trans65.4156.5140-157.8-147.8000122.7
70N35.8Very low38Very low142 Ų142133.7 Ų133.776%0.75979%0.789SS**  trans57.2120.6175.9-63.5-66.6000116.8
71G35.6Very low38.6Very low63 Ų63139.7 Ų139.765%0.64980%0.802SS**  cis120.7148.93700000109.2
72V36.8Very low39.3Very low154 Ų154136.4 Ų136.493%0.93379%0.789SS**  trans67.9119.4178.2-167.40000116
73G36.6Very low40.4Very low66 Ų66143.7 Ų143.768%0.6879%0.793SS**  trans167.8-11.2170.700000117.8
74N44.7Very low41.8Very low163 Ų163142.8 Ų142.887%0.87278%0.778SS**  trans-10782.1-166.5-154.623.8000113.6
75H40.5Very low44.1Very low157 Ų157140.3 Ų140.373%0.72777%0.765SS**SBendtrans-150.629.9175.662.4-98.4000115.9
76L41.2Very low46.5Very low162 Ų162134 Ų13485%0.84874%0.742SS**SBendtrans-143.419.2-179.3-118.4153.7000116
77G39.9Very low49.3Very low68 Ų68126.1 Ų126.170%0.70172%0.721SS**  trans-94.6-3.8178.500000116.4L79G77-L79 PolarHBondContact O-N 3.2Å
78A42.8Very low51.9Low86 Ų86124 Ų12471%0.71170%0.699SS**THydrogen-bonded Turntrans-88.2-0.6-160.400000116.8
79L45.8Very low54.3Low167 Ų167122 Ų12287%0.87469%0.689SS**THydrogen-bonded Turntrans-126.726.1-171.9-73.1175.4000114.7G77G77-L79 PolarHBondContact O-N 3.2Å
80V48.5Very low56.8Low106 Ų106117.8 Ų117.864%0.64267%0.665SS**  trans-112.372.6168.2-170.80000109.8Q82V80-Q82 HydrophobicContact CG1-CB 4Å; V80-Q82 HydrophobicContact CG1-CG 3.72Å; V80-Q82 PolarHBondContact O-N 3.09Å
81H46.8Very low59.3Low185 Ų185117.8 Ų117.886%0.85666%0.658SS**  trans-72.556.4159-84.290.4000110
82Q47.7Very low61.8Low154 Ų154114.8 Ų114.872%0.7263%0.627SS**  trans-57.9149.1155.3-91.9-177.7-3300108V80 A84V80-Q82 HydrophobicContact CG1-CB 4Å; V80-Q82 HydrophobicContact CG1-CG 3.72Å; V80-Q82 PolarHBondContact O-N 3.09Å; Q82-A84 PolarHBondContact O-N 3.14Å
83R56.5Low64.1Low226 Ų226109.3 Ų109.385%0.85360%0.595SS**  trans-72.570.4170.6-64.2174.1-179158.1-1.9108.8F85R83-F85 HydrophobicContact CB-CE2 4.11Å; R83-F85 VanDerWaalsContact O-CD2 3.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.36Å; R83-F85 PolarHBondContact O-N 3.27Å
84A66.1Low66.2Low61 Ų61109 Ų10950%0.50458%0.577SS.*  trans-66.899.4174.400000107.6Q82 T86Q82-A84 PolarHBondContact O-N 3.14Å; A84-T86 PolarHBondContact O-N 3.04Å; A84-T86 VanDerWaalsContact O-N 3.11Å
85F79.8Confident67.7Low146 Ų146108 Ų10864%0.6457%0.565SS**  trans-73.597.6168-74.5-87.3000107.4R83 G137R83-F85 HydrophobicContact CB-CE2 4.11Å; R83-F85 VanDerWaalsContact O-CD2 3.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.36Å; R83-F85 PolarHBondContact O-N 3.27Å; F85-G137 CarbonylContact C-O 3.53Å; F85-G137 WeakPolarHBondContact CA-O 3.27Å
86T88.3Confident69.6Low56 Ų56101.6 Ų101.634%0.34454%0.536SS..EExtended strand (participates in β ladder)trans-78.4155172.9-51.20000108.3A84 E88 T136 G137 I142A84-T86 PolarHBondContact O-N 3.04Å; A84-T86 VanDerWaalsContact O-N 3.11Å; T86-E88 HydrophobicContact CG2-CG 4.02Å; T86-T136 WeakPolarHBondContact O-CA 3.35Å; T86-G137 PolarHBondContact N-O 3.21Å; T86-G137 PolarHBondContact O-N 3.42Å; T86-G137 VanDerWaalsContact O-N 3.15Å; T86-I142 WeakPolarHBondContact O-CD1 3.29Å
87T90.4Very high71.6Confident81 Ų8194.2 Ų94.250%0.49750%0.497SS..EExtended strand (participates in β ladder)trans-120.5126.8165.1-67.30000108.1T134 L135 T136T87-T134 HydrophobicContact CG2-CG2 3.21Å; T87-L135 CarbonylContact C-O 3.49Å; T87-L135 VanDerWaalsContact CA-O 3.29Å; T87-L135 WeakPolarHBondContact CA-O 3.41Å; T87-T136 PolarHBondContact OG1-OG1 3.06Å
88E91.8Very high73.5Confident71 Ų7193.5 Ų93.533%0.33249%0.491SS..EExtended strand (participates in β ladder)trans-128.5138.7177.8-70.1-165-105.200111T86 L135 I142 K146T86-E88 HydrophobicContact CG2-CG 4.02Å; E88-L135 PolarHBondContact N-O 3.31Å; E88-L135 WeakPolarHBondContact O-CB 3.44Å; E88-L135 PolarHBondContact O-N 2.82Å; E88-I142 HydrophobicContact CB-CG2 4.23Å; E88-I142 HydrophobicContact CG-CG2 4.4Å; E88-I142 WeakPolarHBondContact OE1-CG2 3.06Å; E88-K146 IonicContact OE1-NZ 2.86Å; E88-K146 PolarHBondContact OE1-NZ 2.93Å; E88-K146 IonicContact OE2-NZ 3.87Å; E88-K146 PolarHBondContact OE2-NZ 3.1Å
89D88.8Confident75.3Confident116 Ų11693 Ų9362%0.6247%0.473SS*.EExtended strand (participates in β ladder)trans-89.5124.1173.6-66.7-51.5000111.1T134D89-T134 WeakPolarHBondContact OD1-CB 3.43Å; D89-T134 PolarHBondContact OD1-OG1 2.91Å
90F88.8Confident77.2Confident44 Ų4485.1 Ų85.119%0.19343%0.431CS..EExtended strand (participates in β ladder)trans-110.5151174-175.3-112.5000109.7V92 C133 L135 K146 L149 S150F90-V92 HydrophobicContact CD1-CG1 3.75Å; F90-V92 HydrophobicContact CE1-CG1 3.62Å; F90-C133 PolarHBondContact N-O 2.87Å; F90-C133 PolarHBondContact O-N 2.86Å; F90-C133 VanDerWaalsContact O-O 3.11Å; F90-C133 PolarHBondContact O-SG 2.65Å; F90-L135 HydrophobicContact CB-CD1 3.64Å; F90-L135 HydrophobicContact CB-CG 4.05Å; F90-L135 HydrophobicContact CG-CD1 4.25Å; F90-K146 HydrophobicContact CD2-CG 4Å; F90-K146 HydrophobicContact CE2-CG 4.34Å; F90-K146 HydrophobicContact CG-CG 4.35Å; F90-L149 HydrophobicContact CD1-CB 4.31Å; F90-L149 HydrophobicContact CD1-CD1 3.95Å; F90-L149 HydrophobicContact CE1-CB 3.8Å; F90-L149 HydrophobicContact CE1-CD1 4.3Å; F90-S150 WeakPolarHBondContact CZ-OG 3.34Å
91K88.2Confident79Confident141 Ų14183 Ų8361%0.61342%0.416SS*.EExtended strand (participates in β ladder)trans-113.1128.6-177-68-172.9-179.6-174.20110.3D130K91-D130 HydrophobicContact CB-CB 4.3Å
92V87.4Confident80.6Confident1 Ų175.2 Ų75.21%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-124.9135.6179.1-69.20000109.6F90 D94 V97 I100 R131 C133 V153F90-V92 HydrophobicContact CD1-CG1 3.75Å; F90-V92 HydrophobicContact CE1-CG1 3.62Å; V92-D94 PolarHBondContact O-N 3.23Å; V92-V97 HydrophobicContact CG2-CG2 3.83Å; V92-I100 HydrophobicContact CB-CD1 3.75Å; V92-I100 HydrophobicContact CG1-CD1 3.75Å; V92-I100 HydrophobicContact CG2-CD1 4.14Å; V92-R131 HydrophobicContact CG2-CB 4.37Å; V92-R131 PolarHBondContact N-O 3.02Å; V92-R131 PolarHBondContact O-N 2.91Å; V92-C133 HydrophobicContact CG2-CB 4.45Å; V92-V153 HydrophobicContact CG1-CG2 4.32Å
93P84.6Confident82.2Confident39 Ų3975.7 Ų75.725%0.25338%0.384SS..EExtended strand (participates in β ladder)trans-59.2132.6179.8-24.934.4000110.9K95 M96 V97 V153P93-K95 VanDerWaalsContact C-N 3.25Å; P93-K95 PolarHBondContact O-N 3.44Å; P93-M96 HydrophobicContact CB-CG 4.19Å; P93-M96 WeakPolarHBondContact O-CA 3.5Å; P93-M96 WeakPolarHBondContact O-CB 3.47Å; P93-M96 PolarHBondContact O-N 3.46Å; P93-V97 PolarHBondContact O-N 2.93Å; P93-V153 HydrophobicContact CG-CG1 4.23Å
94D81.1Confident83.3Confident60 Ų6069.4 Ų69.432%0.32139%0.39SS..Hα-helixtrans-53.5-44.1-175.1-178.282.6000111.8V92 M96 V97 S125 L129 R131V92-D94 PolarHBondContact O-N 3.23Å; D94-M96 PolarHBondContact O-N 2.92Å; D94-V97 WeakPolarHBondContact O-CB 3.46Å; D94-V97 PolarHBondContact O-N 2.91Å; D94-S125 WeakPolarHBondContact OD1-CB 3.4Å; D94-S125 PolarHBondContact OD1-OG 2.88Å; D94-L129 PolarHBondContact N-O 2.92Å; D94-R131 IonicContact OD1-CZ 2.66Å; D94-R131 VanDerWaalsContact OD1-CZ 3.32Å; D94-R131 IonicContact OD1-NE 2.83Å; D94-R131 PolarHBondContact OD1-NE 3.4Å; D94-R131 VanDerWaalsContact OD1-NE 3.1Å; D94-R131 IonicContact OD1-NH2 3.1Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å
95K77.1Confident84.2Confident140 Ų14067.1 Ų67.161%0.60937%0.373SS*.Hα-helixtrans-61.1-13.5176.667.4-180179.6179.50115.4P93 D210P93-K95 VanDerWaalsContact C-N 3.25Å; P93-K95 PolarHBondContact O-N 3.44Å; K95-D210 IonicContact NZ-OD1 3.54Å; K95-D210 IonicContact NZ-OD2 2.71Å
96M80.1Confident84.5Confident23 Ų2365.4 Ų65.411%0.11337%0.367CS..Hα-helixtrans-102.2-15176.2-59.4-53.9-172.800113.8P93 D94 G98 F99 I100 V153 C156 R157P93-M96 HydrophobicContact CB-CG 4.19Å; P93-M96 WeakPolarHBondContact O-CA 3.5Å; P93-M96 WeakPolarHBondContact O-CB 3.47Å; P93-M96 PolarHBondContact O-N 3.46Å; D94-M96 PolarHBondContact O-N 2.92Å; M96-G98 VanDerWaalsContact C-N 3.27Å; M96-G98 PolarHBondContact O-N 2.93Å; M96-F99 PolarHBondContact O-N 3.26Å; M96-F99 HydrophobicContact SD-CD2 4.42Å; M96-I100 PolarHBondContact O-N 3.3Å; M96-I100 VanDerWaalsContact O-N 3.16Å; M96-V153 HydrophobicContact CB-CG2 4.34Å; M96-C156 HydrophobicContact CE-CB 4.25Å; M96-C156 HydrophobicContact SD-CB 3.58Å; M96-C156 VanDerWaalsContact SD-CB 3.58Å; M96-R157 HydrophobicContact CE-CB 4.21Å
97V82.5Confident84.4Confident7 Ų765.2 Ų65.24%0.04236%0.362CS..Hα-helixtrans-55.5-39.9-176.2169.50000112.4V92 P93 D94 F99 I100 I101 I121 R131V92-V97 HydrophobicContact CG2-CG2 3.83Å; P93-V97 PolarHBondContact O-N 2.93Å; D94-V97 WeakPolarHBondContact O-CB 3.46Å; D94-V97 PolarHBondContact O-N 2.91Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 2.99Å; V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 3.47Å; V97-I121 HydrophobicContact CG1-CG2 3.85Å; V97-I121 HydrophobicContact CG2-CG2 4.34Å; V97-R131 HydrophobicContact CG2-CB 3.91Å; V97-R131 HydrophobicContact CG2-CG 4.48Å
98G81.1Confident84.4Confident54 Ų5462.1 Ų62.156%0.55734%0.342SS*.Hα-helixtrans-61.8-30.8177.600000114.2M96 G102M96-G98 VanDerWaalsContact C-N 3.27Å; M96-G98 PolarHBondContact O-N 2.93Å; G98-G102 PolarHBondContact O-N 2.88Å
99F80.3Confident84.4Confident76 Ų7662 Ų6233%0.33335%0.349SS..Hα-helixtrans-81.4-36.1176.8-60.9-79.6000112.1M96 V97 I101 G102 C156 P160 F162M96-F99 PolarHBondContact O-N 3.26Å; M96-F99 HydrophobicContact SD-CD2 4.42Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 3.15Å; F99-I101 VanDerWaalsContact C-N 3.34Å; F99-G102 PolarHBondContact O-N 3.37Å; F99-C156 VanDerWaalsContact CB-SG 3.51Å; F99-P160 HydrophobicContact CD1-CB 3.98Å; F99-P160 HydrophobicContact CE1-CB 3.52Å; F99-P160 HydrophobicContact CE1-CG 3.68Å; F99-P160 HydrophobicContact CZ-CB 4.06Å; F99-P160 HydrophobicContact CZ-CG 3.7Å; F99-F162 HydrophobicContact CE1-CZ 4.5Å
100I84.7Confident84.4Confident1 Ų160 Ų601%0.00533%0.333CS..Hα-helixtrans-62.2-42.2173.1-62.4169.9000110.8V92 M96 V97 I108 I111 I121 L149 I152 V153V92-I100 HydrophobicContact CB-CD1 3.75Å; V92-I100 HydrophobicContact CG1-CD1 3.75Å; V92-I100 HydrophobicContact CG2-CD1 4.14Å; M96-I100 PolarHBondContact O-N 3.3Å; M96-I100 VanDerWaalsContact O-N 3.16Å; V97-I100 PolarHBondContact O-N 2.99Å; I100-I108 HydrophobicContact CG2-CD1 4.13Å; I100-I108 PolarHBondContact O-N 3.18Å; I100-I111 HydrophobicContact CG2-CD1 4.25Å; I100-I121 HydrophobicContact CG2-CD1 3.85Å; I100-L149 HydrophobicContact CG2-CD2 3.45Å; I100-L149 VanDerWaalsContact CG2-CD2 3.45Å; I100-I152 HydrophobicContact CG1-CG2 4.05Å; I100-V153 HydrophobicContact CD1-CG2 3.7Å; I100-V153 HydrophobicContact CG1-CG2 4.37Å
101I86.4Confident84.5Confident62 Ų6258 Ų5832%0.31832%0.324SS..Hα-helixtrans-69.4-46.1175.8-65.8172.1000110.9V97 F99 G105 Q107 I108 I121V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 3.47Å; F99-I101 VanDerWaalsContact C-N 3.34Å; I101-G105 CarbonylContact O-C 3.56Å; I101-G105 VanDerWaalsContact O-C 3.31Å; I101-G105 VanDerWaalsContact O-CA 3.26Å; I101-G105 WeakPolarHBondContact O-CA 3.45Å; I101-Q107 PolarHBondContact O-N 3.34Å; I101-I108 HydrophobicContact CB-CG2 4.39Å; I101-I108 HydrophobicContact CG2-CG2 4.2Å; I101-I108 PolarHBondContact O-N 3.38Å; I101-I121 HydrophobicContact CD1-CD1 4.32Å; I101-I121 HydrophobicContact CG1-CD1 3.79Å
102G81.9Confident84.7Confident20 Ų2053.9 Ų53.921%0.20631%0.307CS..  trans74.3175-17600000113.3G98 F99 G104 G105G98-G102 PolarHBondContact O-N 2.88Å; F99-G102 PolarHBondContact O-N 3.37Å; G102-G104 PolarHBondContact O-N 3.47Å; G102-G105 PolarHBondContact O-N 3.41Å
103K79.9Confident84.9Confident164 Ų16461.8 Ų61.871%0.71334%0.344SS*.G310 helixtrans-62.4126.4178.2-63.9174.6-172.9166.90109.2G105 E106K103-G105 PolarHBondContact O-N 2.89Å; K103-E106 PolarHBondContact O-N 2.65Å
104G80.2Confident85.3Confident94 Ų9464.7 Ų64.797%0.96935%0.354SS*.G310 helixtrans63.59.3179.800000115.9G102G102-G104 PolarHBondContact O-N 3.47Å
105G84.6Confident85.7Confident14 Ų1461.9 Ų61.914%0.14434%0.34CS..G310 helixtrans81.110.7-174.100000115I101 G102 K103 Q107 I108 S109I101-G105 CarbonylContact O-C 3.56Å; I101-G105 VanDerWaalsContact O-C 3.31Å; I101-G105 VanDerWaalsContact O-CA 3.26Å; I101-G105 WeakPolarHBondContact O-CA 3.45Å; G102-G105 PolarHBondContact O-N 3.41Å; K103-G105 PolarHBondContact O-N 2.89Å; G105-Q107 PolarHBondContact O-N 2.92Å; G105-I108 WeakPolarHBondContact O-CG2 3.45Å; G105-S109 WeakPolarHBondContact O-CB 3.33Å; G105-S109 PolarHBondContact O-N 2.93Å; G105-S109 PolarHBondContact O-OG 2.87Å
106E86.4Confident86.3Confident109 Ų10957.4 Ų57.451%0.50933%0.333SS..Hα-helixtrans-59.8-46.7-178.8-168.3-156.6142.300112K103 S109 R110K103-E106 PolarHBondContact O-N 2.65Å; E106-S109 WeakPolarHBondContact O-CB 3.3Å; E106-S109 PolarHBondContact O-N 3.16Å; E106-S109 VanDerWaalsContact O-N 3.16Å; E106-R110 PolarHBondContact O-N 3.36Å; E106-R110 IonicContact OE1-CZ 2.65Å; E106-R110 IonicContact OE1-NH2 3.02Å; E106-R110 PolarHBondContact OE1-NH2 3.03Å
107Q86.9Confident86.9Confident52 Ų5256.5 Ų56.524%0.24333%0.329CS..Hα-helixtrans-64-47.9-175-171.265.423.100111I101 G105 S109 R110 I111 I152I101-Q107 PolarHBondContact O-N 3.34Å; G105-Q107 PolarHBondContact O-N 2.92Å; Q107-S109 VanDerWaalsContact C-N 3.27Å; Q107-S109 PolarHBondContact O-N 3.41Å; Q107-R110 WeakPolarHBondContact O-CB 3.43Å; Q107-R110 PolarHBondContact O-N 2.97Å; Q107-R110 VanDerWaalsContact O-N 3.16Å; Q107-I111 HydrophobicContact CG-CD1 4.33Å; Q107-I111 VanDerWaalsContact O-CG1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.39Å; Q107-I111 PolarHBondContact O-N 3.16Å; Q107-I152 HydrophobicContact CG-CD1 4.34Å
108I90.3Very high87.4Confident17 Ų1762 Ų629%0.08735%0.352CS..Hα-helixtrans-68.9-24.8176.8-168.556.4000113.1I100 I101 G105 I111 Q112 I119 I121 L149I100-I108 HydrophobicContact CG2-CD1 4.13Å; I100-I108 PolarHBondContact O-N 3.18Å; I101-I108 HydrophobicContact CB-CG2 4.39Å; I101-I108 HydrophobicContact CG2-CG2 4.2Å; I101-I108 PolarHBondContact O-N 3.38Å; G105-I108 WeakPolarHBondContact O-CG2 3.45Å; I108-I111 HydrophobicContact CD1-CB 4.47Å; I108-I111 HydrophobicContact CD1-CD1 4.13Å; I108-Q112 WeakPolarHBondContact O-CB 3.38Å; I108-Q112 VanDerWaalsContact O-CG 3.22Å; I108-Q112 WeakPolarHBondContact O-CG 3.34Å; I108-Q112 PolarHBondContact O-N 2.86Å; I108-Q112 PolarHBondContact O-NE2 3.48Å; I108-I119 HydrophobicContact CD1-CB 3.93Å; I108-I119 HydrophobicContact CD1-CD1 3.98Å; I108-I119 HydrophobicContact CD1-CG2 3.73Å; I108-I121 HydrophobicContact CD1-CD1 4.36Å; I108-I121 HydrophobicContact CG1-CD1 4.42Å; I108-L149 HydrophobicContact CD1-CD2 4.48Å
109S90.7Very high87.9Confident69 Ų6959.9 Ų59.948%0.48333%0.328SS..Hα-helixtrans-69.4-42.5170.4-57.50000111G105 E106 Q107 Q112 Q113G105-S109 WeakPolarHBondContact O-CB 3.33Å; G105-S109 PolarHBondContact O-N 2.93Å; G105-S109 PolarHBondContact O-OG 2.87Å; E106-S109 WeakPolarHBondContact O-CB 3.3Å; E106-S109 PolarHBondContact O-N 3.16Å; E106-S109 VanDerWaalsContact O-N 3.16Å; Q107-S109 VanDerWaalsContact C-N 3.27Å; Q107-S109 PolarHBondContact O-N 3.41Å; S109-Q112 PolarHBondContact O-N 3.19Å; S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.26Å
110R89.9Confident88.4Confident73 Ų7362 Ų6228%0.27534%0.339SS..Hα-helixtrans-62-48.5174.9-167.3-173.9-61.2-151.95.1111.8E106 Q107 Q112 Q113 E114E106-R110 PolarHBondContact O-N 3.36Å; E106-R110 IonicContact OE1-CZ 2.65Å; E106-R110 IonicContact OE1-NH2 3.02Å; E106-R110 PolarHBondContact OE1-NH2 3.03Å; Q107-R110 WeakPolarHBondContact O-CB 3.43Å; Q107-R110 PolarHBondContact O-N 2.97Å; Q107-R110 VanDerWaalsContact O-N 3.16Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.71Å; R110-Q113 PolarHBondContact O-N 3.16Å; R110-Q113 VanDerWaalsContact O-N 3.1Å; R110-E114 WeakPolarHBondContact CD-OE1 3.3Å; R110-E114 HydrophobicContact CG-CG 4.28Å; R110-E114 VanDerWaalsContact CG-OE1 3.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.19Å
111I91Very high88.6Confident1 Ų163.4 Ų63.41%0.00535%0.346CS..Hα-helixtrans-58.8-42.7177.8-57.9162.4000111I100 Q107 I108 E114 S115 I119 L148 L149 I152I100-I111 HydrophobicContact CG2-CD1 4.25Å; Q107-I111 HydrophobicContact CG-CD1 4.33Å; Q107-I111 VanDerWaalsContact O-CG1 3.3Å; Q107-I111 WeakPolarHBondContact O-CG1 3.39Å; Q107-I111 PolarHBondContact O-N 3.16Å; I108-I111 HydrophobicContact CD1-CB 4.47Å; I108-I111 HydrophobicContact CD1-CD1 4.13Å; I111-E114 PolarHBondContact O-N 3.46Å; I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.42Å; I111-S115 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-OG 3.39Å; I111-I119 HydrophobicContact CB-CD1 4.3Å; I111-I119 HydrophobicContact CG2-CD1 3.56Å; I111-L148 HydrophobicContact CG2-CB 3.94Å; I111-L148 HydrophobicContact CG2-CD1 4.14Å; I111-L149 HydrophobicContact CD1-CD2 4.13Å; I111-I152 HydrophobicContact CD1-CD1 3.39Å; I111-I152 HydrophobicContact CG1-CD1 3.74Å
112Q91.4Very high88.5Confident56 Ų5662.2 Ų62.226%0.26235%0.346SS..Hα-helixtrans-65.6-37.5177-73.9176.998.400112.4I108 S109 R110 G116 C117 I119I108-Q112 WeakPolarHBondContact O-CB 3.38Å; I108-Q112 VanDerWaalsContact O-CG 3.22Å; I108-Q112 WeakPolarHBondContact O-CG 3.34Å; I108-Q112 PolarHBondContact O-N 2.86Å; I108-Q112 PolarHBondContact O-NE2 3.48Å; S109-Q112 PolarHBondContact O-N 3.19Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.71Å; Q112-G116 WeakPolarHBondContact O-CA 3.41Å; Q112-G116 PolarHBondContact O-N 3.02Å; Q112-C117 WeakPolarHBondContact CA-O 3.3Å; Q112-C117 WeakPolarHBondContact CB-O 3.39Å; Q112-C117 WeakPolarHBondContact CG-O 3.48Å; Q112-I119 HydrophobicContact CG-CB 3.76Å; Q112-I119 HydrophobicContact CG-CD1 3.86Å; Q112-I119 HydrophobicContact CG-CG1 3.74Å; Q112-I119 PolarHBondContact OE1-O 3.25Å
113Q92.4Very high88.2Confident167 Ų16767.2 Ų67.278%0.7838%0.377SS*.Hα-helixtrans-69.5-42.6176.3-173.4176.29.900112.4S109 R110S109-Q113 WeakPolarHBondContact O-CB 3.41Å; S109-Q113 PolarHBondContact O-N 3.26Å; R110-Q113 PolarHBondContact O-N 3.16Å; R110-Q113 VanDerWaalsContact O-N 3.1Å
114E91.9Very high87.8Confident99 Ų9964.3 Ų64.346%0.46337%0.37SS..Hα-helixtrans-72.2-41.8-178.9-73.2173.117800112.5R110 I111 Q144 L148R110-E114 WeakPolarHBondContact CD-OE1 3.3Å; R110-E114 HydrophobicContact CG-CG 4.28Å; R110-E114 VanDerWaalsContact CG-OE1 3.27Å; R110-E114 WeakPolarHBondContact CG-OE1 3.44Å; R110-E114 WeakPolarHBondContact O-CB 3.22Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.19Å; I111-E114 PolarHBondContact O-N 3.46Å; E114-Q144 PolarHBondContact O-NE2 3.48Å; E114-L148 HydrophobicContact CB-CD1 4.13Å
115S91.1Very high87.3Confident2 Ų260.4 Ų60.41%0.01433%0.328CS..Hα-helixtrans-80.9-17.8177.862.10000114.3I111 C117 N141I111-S115 VanDerWaalsContact O-CB 3.3Å; I111-S115 WeakPolarHBondContact O-CB 3.42Å; I111-S115 PolarHBondContact O-N 3.45Å; I111-S115 PolarHBondContact O-OG 3.39Å; S115-C117 PolarHBondContact O-N 3.49Å; S115-C117 VanDerWaalsContact O-N 3.14Å; S115-C117 WeakPolarHBondContact OG-CB 3.46Å; S115-C117 PolarHBondContact OG-N 3.2Å; S115-N141 WeakPolarHBondContact O-CA 3.36Å; S115-N141 WeakPolarHBondContact O-CB 3.38Å; S115-N141 PolarHBondContact O-ND2 3.06Å
116G89.6Confident86.5Confident45 Ų4562.8 Ų62.846%0.46435%0.352SS..  trans59.717.9-168.600000113.7Q112 N141Q112-G116 WeakPolarHBondContact O-CA 3.41Å; Q112-G116 PolarHBondContact O-N 3.02Å; G116-N141 VanDerWaalsContact C-ND2 3.32Å; G116-N141 PolarHBondContact O-ND2 3.38Å
117C92.2Very high85.3Confident4 Ų461.3 Ų61.33%0.02737%0.366CS..  trans-102139.6177.2-170.30000109.3Q112 S115 T136 N141 A145Q112-C117 WeakPolarHBondContact CA-O 3.3Å; Q112-C117 WeakPolarHBondContact CB-O 3.39Å; Q112-C117 WeakPolarHBondContact CG-O 3.48Å; S115-C117 PolarHBondContact O-N 3.49Å; S115-C117 VanDerWaalsContact O-N 3.14Å; S115-C117 WeakPolarHBondContact OG-CB 3.46Å; S115-C117 PolarHBondContact OG-N 3.2Å; C117-T136 PolarHBondContact SG-O 3.5Å; C117-T136 VanDerWaalsContact SG-O 3.41Å; C117-N141 HydrophobicContact CB-CB 4.24Å; C117-A145 HydrophobicContact CB-CB 3.72Å
118K92.3Very high84.5Confident122 Ų12264.8 Ų64.853%0.5338%0.384SS..EExtended strand (participates in β ladder)trans-77132.9165.2-172.2-175.1177.6-1660108.2T136K118-T136 PolarHBondContact N-O 3.2Å; K118-T136 PolarHBondContact O-N 3Å
119I92.8Very high83.6Confident10 Ų1071.3 Ų71.35%0.05142%0.418CS..EExtended strand (participates in β ladder)trans-126119.7-177.9-55.5171.2000108.8I108 I111 Q112 I121 L135 A145 L149I108-I119 HydrophobicContact CD1-CB 3.93Å; I108-I119 HydrophobicContact CD1-CD1 3.98Å; I108-I119 HydrophobicContact CD1-CG2 3.73Å; I111-I119 HydrophobicContact CB-CD1 4.3Å; I111-I119 HydrophobicContact CG2-CD1 3.56Å; Q112-I119 HydrophobicContact CG-CB 3.76Å; Q112-I119 HydrophobicContact CG-CD1 3.86Å; Q112-I119 HydrophobicContact CG-CG1 3.74Å; Q112-I119 PolarHBondContact OE1-O 3.25Å; I119-I121 HydrophobicContact CG2-CG1 4.35Å; I119-L135 HydrophobicContact CB-CD2 4.18Å; I119-L135 HydrophobicContact CD1-CD2 4.44Å; I119-L135 HydrophobicContact CG1-CD2 3.78Å; I119-L135 HydrophobicContact CG2-CD2 3.72Å; I119-A145 HydrophobicContact CD1-CB 4.08Å; I119-L149 HydrophobicContact CD1-CD1 4.27Å; I119-L149 HydrophobicContact CG2-CD1 4.41Å
120Q89.8Confident83.2Confident122 Ų12271.5 Ų71.557%0.5741%0.414SS*.EExtended strand (participates in β ladder)trans-122.1101.5-179.1-172161.5-7.900110.3C133 T134Q120-C133 CarbonylContact O-C 3.58Å; Q120-C133 WeakPolarHBondContact O-CA 3.3Å; Q120-T134 PolarHBondContact N-O 2.91Å; Q120-T134 PolarHBondContact O-N 3.36Å
121I89Confident83Confident29 Ų2969.7 Ų69.715%0.14941%0.407CS..EExtended strand (participates in β ladder)trans-82.1140.2175.6-52.8167.9000108.7V97 I100 I101 I108 I119 R131 C133V97-I121 HydrophobicContact CG1-CG2 3.85Å; V97-I121 HydrophobicContact CG2-CG2 4.34Å; I100-I121 HydrophobicContact CG2-CD1 3.85Å; I101-I121 HydrophobicContact CD1-CD1 4.32Å; I101-I121 HydrophobicContact CG1-CD1 3.79Å; I108-I121 HydrophobicContact CD1-CD1 4.36Å; I108-I121 HydrophobicContact CG1-CD1 4.42Å; I119-I121 HydrophobicContact CG2-CG1 4.35Å; I121-R131 HydrophobicContact CG2-CG 4.2Å; I121-C133 HydrophobicContact CB-CB 4.1Å; I121-C133 HydrophobicContact CG1-CB 3.7Å; I121-C133 HydrophobicContact CG2-CB 4.28Å
122A84.6Confident82.7Confident38 Ų3872.5 Ų72.531%0.31443%0.425SS..  trans-61154.5176.700000112.7D124 R131 P132A122-D124 WeakPolarHBondContact CB-O 3.34Å; A122-R131 HydrophobicContact CB-CG 4Å; A122-R131 VanDerWaalsContact O-CD 3.32Å; A122-R131 WeakPolarHBondContact O-CD 3.29Å; A122-R131 PolarHBondContact O-NH1 2.66Å; A122-P132 HydrophobicContact CB-CG 4.19Å; A122-P132 PolarHBondContact N-O 3.27Å
123S75.1Confident82.7Confident124 Ų12469.9 Ų69.987%0.86741%0.413SS*.SBendtrans-74-28.2176.446.50000113.1R131S123-R131 PolarHBondContact O-NH1 2.68Å
124D72.3Confident82.7Confident104 Ų10464.1 Ų64.156%0.55639%0.389SS*.  trans-138.1158.4176.1-178.123.2000110A122 G126A122-D124 WeakPolarHBondContact CB-O 3.34Å; D124-G126 VanDerWaalsContact CG-N 3.28Å; D124-G126 PolarHBondContact OD1-N 3.24Å; D124-G126 PolarHBondContact OD2-N 3.44Å
125S69.3Low82.7Confident12 Ų1259.4 Ų59.48%0.08437%0.367CS..  trans-96.3-3.5171.9-61.70000113.1D94 G127 M128 R131D94-S125 WeakPolarHBondContact OD1-CB 3.4Å; D94-S125 PolarHBondContact OD1-OG 2.88Å; S125-G127 PolarHBondContact O-N 2.83Å; S125-M128 WeakPolarHBondContact CB-O 3.28Å; S125-M128 WeakPolarHBondContact O-CB 3.25Å; S125-M128 PolarHBondContact O-N 2.82Å; S125-R131 WeakPolarHBondContact OG-CB 3.48Å; S125-R131 VanDerWaalsContact OG-CG 3.3Å; S125-R131 WeakPolarHBondContact OG-CG 3.18Å; S125-R131 PolarHBondContact OG-NE 2.85Å
126G66.9Low82.8Confident64 Ų6461.5 Ų61.566%0.6638%0.38SS*.THydrogen-bonded Turntrans62.628178.800000113.4D124D124-G126 VanDerWaalsContact CG-N 3.28Å; D124-G126 PolarHBondContact OD1-N 3.24Å; D124-G126 PolarHBondContact OD2-N 3.44Å
127G62Low82.9Confident78 Ų7859.3 Ų59.380%0.80436%0.358SS*.THydrogen-bonded Turntrans822.5-173.900000115.7S125S125-G127 PolarHBondContact O-N 2.83Å
128M69.8Low83Confident124 Ų12460.7 Ų60.761%0.61137%0.367SS*.  trans-79.5150.2173.5-60.5-165.572.300112.4S125 D130S125-M128 WeakPolarHBondContact CB-O 3.28Å; S125-M128 WeakPolarHBondContact O-CB 3.25Å; S125-M128 PolarHBondContact O-N 2.82Å; M128-D130 VanDerWaalsContact C-N 3.31Å
129L71.9Confident83Confident154 Ų15458.7 Ų58.781%0.80637%0.367SS*.SBendtrans-70.4-27.6176-63.9175.6000113.1D94D94-L129 PolarHBondContact N-O 2.92Å
130D82.9Confident83Confident74 Ų7465.4 Ų65.440%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-110.5130175.9-61.3-45.9000110.1K91 M128K91-D130 HydrophobicContact CB-CB 4.3Å; M128-D130 VanDerWaalsContact C-N 3.31Å
131R84.5Confident83.2Confident34 Ų3461.7 Ų61.713%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-89.2133.7172.9-162.6172.9-71.5-142.2-5110.3V92 D94 V97 I121 A122 S123 S125V92-R131 HydrophobicContact CG2-CB 4.37Å; V92-R131 PolarHBondContact N-O 3.02Å; V92-R131 PolarHBondContact O-N 2.91Å; D94-R131 IonicContact OD1-CZ 2.66Å; D94-R131 VanDerWaalsContact OD1-CZ 3.32Å; D94-R131 IonicContact OD1-NE 2.83Å; D94-R131 PolarHBondContact OD1-NE 3.4Å; D94-R131 VanDerWaalsContact OD1-NE 3.1Å; D94-R131 IonicContact OD1-NH2 3.1Å; D94-R131 PolarHBondContact OD1-NH2 2.92Å; V97-R131 HydrophobicContact CG2-CB 3.91Å; V97-R131 HydrophobicContact CG2-CG 4.48Å; I121-R131 HydrophobicContact CG2-CG 4.2Å; A122-R131 HydrophobicContact CB-CG 4Å; A122-R131 VanDerWaalsContact O-CD 3.32Å; A122-R131 WeakPolarHBondContact O-CD 3.29Å; A122-R131 PolarHBondContact O-NH1 2.66Å; S123-R131 PolarHBondContact O-NH1 2.68Å; S125-R131 WeakPolarHBondContact OG-CB 3.48Å; S125-R131 VanDerWaalsContact OG-CG 3.3Å; S125-R131 WeakPolarHBondContact OG-CG 3.18Å; S125-R131 PolarHBondContact OG-NE 2.85Å
132P85.6Confident83.4Confident61 Ų6160.3 Ų60.340%0.39638%0.375SS..EExtended strand (participates in β ladder)trans-70.8140.416829.4-32.8000110.7A122A122-P132 HydrophobicContact CB-CG 4.19Å; A122-P132 PolarHBondContact N-O 3.27Å
133C89.9Confident83.7Confident0 Ų063.2 Ų63.20%038%0.382CS..EExtended strand (participates in β ladder)trans-134.8129.7167.364.10000109.8F90 V92 Q120 I121F90-C133 PolarHBondContact N-O 2.87Å; F90-C133 PolarHBondContact O-N 2.86Å; F90-C133 VanDerWaalsContact O-O 3.11Å; F90-C133 PolarHBondContact O-SG 2.65Å; V92-C133 HydrophobicContact CG2-CB 4.45Å; Q120-C133 CarbonylContact O-C 3.58Å; Q120-C133 WeakPolarHBondContact O-CA 3.3Å; I121-C133 HydrophobicContact CB-CB 4.1Å; I121-C133 HydrophobicContact CG1-CB 3.7Å; I121-C133 HydrophobicContact CG2-CB 4.28Å
134T92.2Very high84.6Confident46 Ų4661.2 Ų61.228%0.28236%0.359SS..EExtended strand (participates in β ladder)trans-96.3125.3-172.7-56.40000109.1T87 D89 Q120T87-T134 HydrophobicContact CG2-CG2 3.21Å; D89-T134 WeakPolarHBondContact OD1-CB 3.43Å; D89-T134 PolarHBondContact OD1-OG1 2.91Å; Q120-T134 PolarHBondContact N-O 2.91Å; Q120-T134 PolarHBondContact O-N 3.36Å
135L93.6Very high85.5Confident0 Ų056.2 Ų56.20%033%0.332CS..EExtended strand (participates in β ladder)trans-107.5119.9-176.9-51.4-179.5000108.9T87 E88 F90 I119 I142 K146 L149T87-L135 CarbonylContact C-O 3.49Å; T87-L135 VanDerWaalsContact CA-O 3.29Å; T87-L135 WeakPolarHBondContact CA-O 3.41Å; E88-L135 PolarHBondContact N-O 3.31Å; E88-L135 WeakPolarHBondContact O-CB 3.44Å; E88-L135 PolarHBondContact O-N 2.82Å; F90-L135 HydrophobicContact CB-CD1 3.64Å; F90-L135 HydrophobicContact CB-CG 4.05Å; F90-L135 HydrophobicContact CG-CD1 4.25Å; I119-L135 HydrophobicContact CB-CD2 4.18Å; I119-L135 HydrophobicContact CD1-CD2 4.44Å; I119-L135 HydrophobicContact CG1-CD2 3.78Å; I119-L135 HydrophobicContact CG2-CD2 3.72Å; L135-I142 HydrophobicContact CB-CG1 4.33Å; L135-I142 HydrophobicContact CB-CG2 4.13Å; L135-I142 HydrophobicContact CD1-CG2 4.08Å; L135-K146 HydrophobicContact CD1-CD 4.43Å; L135-K146 HydrophobicContact CD1-CG 3.56Å; L135-L149 HydrophobicContact CD1-CD1 4.42Å; L135-L149 HydrophobicContact CD2-CD1 3.69Å
136T92.4Very high86.6Confident46 Ų4658 Ų5828%0.28234%0.339SS..EExtended strand (participates in β ladder)trans-122.6119.7178.7-580000110.7T86 T87 C117 K118T86-T136 WeakPolarHBondContact O-CA 3.35Å; T87-T136 PolarHBondContact OG1-OG1 3.06Å; C117-T136 PolarHBondContact SG-O 3.5Å; C117-T136 VanDerWaalsContact SG-O 3.41Å; K118-T136 PolarHBondContact N-O 3.2Å; K118-T136 PolarHBondContact O-N 3Å
137G92.4Very high87.7Confident0 Ų062.8 Ų62.80%034%0.337CS..EExtended strand (participates in β ladder)trans-177.2-171.9-173.700000112.3F85 T86F85-G137 CarbonylContact C-O 3.53Å; F85-G137 WeakPolarHBondContact CA-O 3.27Å; T86-G137 PolarHBondContact N-O 3.21Å; T86-G137 PolarHBondContact O-N 3.42Å; T86-G137 VanDerWaalsContact O-N 3.15Å
138S94Very high89Confident32 Ų3260.7 Ų60.722%0.22431%0.307CS..  trans-65.2158.4159.366.50000109.4E140 N141 I142S138-E140 PolarHBondContact O-N 3.28Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-N141 VanDerWaalsContact OG-CB 3.28Å; S138-N141 WeakPolarHBondContact OG-CB 3.32Å; S138-N141 PolarHBondContact OG-N 3.01Å; S138-N141 VanDerWaalsContact OG-N 3.09Å; S138-N141 PolarHBondContact OG-OD1 3.28Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.26Å; S138-I142 PolarHBondContact O-N 2.88Å
139P91.6Very high90Very high80 Ų8054.8 Ų54.852%0.51928%0.278SS..Hα-helixtrans-57-35.8175.721.3-33000113I142 E143P139-I142 PolarHBondContact O-N 3.38Å; P139-E143 PolarHBondContact O-N 2.84Å
140E92.2Very high90.7Very high151 Ų15150 Ų5071%0.70626%0.257SS*.Hα-helixtrans-64.3-47.6175.5-173.9172.2-155.200112S138 I142 E143 Q144S138-E140 PolarHBondContact O-N 3.28Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 2.86Å; E140-E143 PolarHBondContact O-N 2.82Å; E140-Q144 PolarHBondContact O-N 3.26Å
141N94.1Very high90.7Very high45 Ų4551.1 Ų51.124%0.24126%0.26CS..Hα-helixtrans-64.1-38.4176.8-68.625.8000111.5S115 G116 C117 S138 Q144 A145S115-N141 WeakPolarHBondContact O-CA 3.36Å; S115-N141 WeakPolarHBondContact O-CB 3.38Å; S115-N141 PolarHBondContact O-ND2 3.06Å; G116-N141 VanDerWaalsContact C-ND2 3.32Å; G116-N141 PolarHBondContact O-ND2 3.38Å; C117-N141 HydrophobicContact CB-CB 4.24Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-N141 VanDerWaalsContact OG-CB 3.28Å; S138-N141 WeakPolarHBondContact OG-CB 3.32Å; S138-N141 PolarHBondContact OG-N 3.01Å; S138-N141 VanDerWaalsContact OG-N 3.09Å; S138-N141 PolarHBondContact OG-OD1 3.28Å; N141-Q144 PolarHBondContact O-N 2.68Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.83Å
142I93.3Very high90.7Very high0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-66-41.3175.4-68.6165.1000110.5T86 E88 L135 S138 P139 E140 A145 K146T86-I142 WeakPolarHBondContact O-CD1 3.29Å; E88-I142 HydrophobicContact CB-CG2 4.23Å; E88-I142 HydrophobicContact CG-CG2 4.4Å; E88-I142 WeakPolarHBondContact OE1-CG2 3.06Å; L135-I142 HydrophobicContact CB-CG1 4.33Å; L135-I142 HydrophobicContact CB-CG2 4.13Å; L135-I142 HydrophobicContact CD1-CG2 4.08Å; S138-I142 VanDerWaalsContact O-CG1 3.3Å; S138-I142 WeakPolarHBondContact O-CG1 3.26Å; S138-I142 PolarHBondContact O-N 2.88Å; P139-I142 PolarHBondContact O-N 3.38Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 2.86Å; I142-A145 PolarHBondContact O-N 2.79Å; I142-K146 HydrophobicContact CG2-CD 4.08Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.28Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.37Å; I142-K146 PolarHBondContact O-N 3.48Å
143E92.1Very high90.5Very high98 Ų9848.7 Ų48.746%0.45825%0.247SC..Hα-helixtrans-66-42.2176.3-154.2-162.9133.300111.6P139 E140 A145 K146 R147P139-E143 PolarHBondContact O-N 2.84Å; E140-E143 PolarHBondContact O-N 2.82Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.28Å; E143-K146 PolarHBondContact O-N 3.29Å; E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.83Å; E143-R147 VanDerWaalsContact OE1-CZ 3.24Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.82Å; E143-R147 PolarHBondContact OE1-NH2 2.82Å
144Q92.8Very high89.8Confident82 Ų8253.9 Ų53.938%0.38327%0.271SS..Hα-helixtrans-62.2-41.7174.1-168.7-176.8-25.900111.7E114 E140 N141 R147 L148E114-Q144 PolarHBondContact O-NE2 3.48Å; E140-Q144 PolarHBondContact O-N 3.26Å; N141-Q144 PolarHBondContact O-N 2.68Å; Q144-R147 PolarHBondContact O-N 2.85Å; Q144-L148 HydrophobicContact CG-CD1 4.41Å; Q144-L148 WeakPolarHBondContact O-CG 3.48Å; Q144-L148 PolarHBondContact O-N 3.21Å
145A92.3Very high88.7Confident0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-61.5-45.6173.500000112C117 I119 N141 I142 E143 R147 L148 L149C117-A145 HydrophobicContact CB-CB 3.72Å; I119-A145 HydrophobicContact CD1-CB 4.08Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.83Å; I142-A145 PolarHBondContact O-N 2.79Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 3.28Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.27Å; A145-L148 PolarHBondContact O-N 2.97Å; A145-L149 VanDerWaalsContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.48Å
146K92.1Very high87.2Confident49 Ų4957.6 Ų57.621%0.21329%0.287CS..Hα-helixtrans-58.2-41.2174.5-74.7166.7176.6168.70112E88 F90 L135 I142 E143 S150E88-K146 IonicContact OE1-NZ 2.86Å; E88-K146 PolarHBondContact OE1-NZ 2.93Å; E88-K146 IonicContact OE2-NZ 3.87Å; E88-K146 PolarHBondContact OE2-NZ 3.1Å; F90-K146 HydrophobicContact CD2-CG 4Å; F90-K146 HydrophobicContact CE2-CG 4.34Å; F90-K146 HydrophobicContact CG-CG 4.35Å; L135-K146 HydrophobicContact CD1-CD 4.43Å; L135-K146 HydrophobicContact CD1-CG 3.56Å; I142-K146 HydrophobicContact CG2-CD 4.08Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.28Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.37Å; I142-K146 PolarHBondContact O-N 3.48Å; E143-K146 PolarHBondContact O-N 3.29Å; K146-S150 VanDerWaalsContact O-CB 3.25Å; K146-S150 WeakPolarHBondContact O-CB 3.46Å; K146-S150 PolarHBondContact O-N 3.19Å; K146-S150 PolarHBondContact O-OG 3.32Å
147R91.1Very high85.5Confident165 Ų16564.6 Ų64.662%0.62331%0.308SS*.Hα-helixtrans-63.5-52.5176.5-70.4174.6-172.9-157.58.6111.2E143 Q144 A145 L149 S150 E151E143-R147 WeakPolarHBondContact O-CG 3.34Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.83Å; E143-R147 VanDerWaalsContact OE1-CZ 3.24Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.82Å; E143-R147 PolarHBondContact OE1-NH2 2.82Å; Q144-R147 PolarHBondContact O-N 2.85Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 3.27Å; R147-L149 PolarHBondContact O-N 3.16Å; R147-S150 PolarHBondContact O-N 3.3Å; R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.2Å
148L88.8Confident83.5Confident34 Ų3471.2 Ų71.218%0.17833%0.334CS..Hα-helixtrans-62-41178.9-68.7171.8000112.7I111 E114 Q144 A145 E151 I152I111-L148 HydrophobicContact CG2-CB 3.94Å; I111-L148 HydrophobicContact CG2-CD1 4.14Å; E114-L148 HydrophobicContact CB-CD1 4.13Å; Q144-L148 HydrophobicContact CG-CD1 4.41Å; Q144-L148 WeakPolarHBondContact O-CG 3.48Å; Q144-L148 PolarHBondContact O-N 3.21Å; A145-L148 PolarHBondContact O-N 2.97Å; L148-E151 PolarHBondContact O-N 3.04Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 2.88Å
149L89.9Confident81.1Confident0 Ų070.4 Ų70.40%033%0.331CS..Hα-helixtrans-65.2-42.6175.3-70.7169000111.8F90 I100 I108 I111 I119 L135 A145 R147 I152 V153F90-L149 HydrophobicContact CD1-CB 4.31Å; F90-L149 HydrophobicContact CD1-CD1 3.95Å; F90-L149 HydrophobicContact CE1-CB 3.8Å; F90-L149 HydrophobicContact CE1-CD1 4.3Å; I100-L149 HydrophobicContact CG2-CD2 3.45Å; I100-L149 VanDerWaalsContact CG2-CD2 3.45Å; I108-L149 HydrophobicContact CD1-CD2 4.48Å; I111-L149 HydrophobicContact CD1-CD2 4.13Å; I119-L149 HydrophobicContact CD1-CD1 4.27Å; I119-L149 HydrophobicContact CG2-CD1 4.41Å; L135-L149 HydrophobicContact CD1-CD1 4.42Å; L135-L149 HydrophobicContact CD2-CD1 3.69Å; A145-L149 VanDerWaalsContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 WeakPolarHBondContact O-CG 3.38Å; A145-L149 PolarHBondContact O-N 3.48Å; R147-L149 PolarHBondContact O-N 3.16Å; L149-I152 PolarHBondContact O-N 2.86Å; L149-V153 WeakPolarHBondContact O-CB 3.42Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 2.9Å
150S86.6Confident78.9Confident52 Ų5269 Ų6936%0.36432%0.321SS..Hα-helixtrans-64.8-44176.5-58.70000111.4F90 K146 R147 I152 V153 E154F90-S150 WeakPolarHBondContact CZ-OG 3.34Å; K146-S150 VanDerWaalsContact O-CB 3.25Å; K146-S150 WeakPolarHBondContact O-CB 3.46Å; K146-S150 PolarHBondContact O-N 3.19Å; K146-S150 PolarHBondContact O-OG 3.32Å; R147-S150 PolarHBondContact O-N 3.3Å; S150-I152 PolarHBondContact O-N 2.77Å; S150-V153 PolarHBondContact O-N 2.66Å; S150-E154 WeakPolarHBondContact O-CB 3.15Å; S150-E154 PolarHBondContact O-N 3.34Å
151E84.4Confident76.6Confident99 Ų9963.8 Ų63.846%0.46331%0.308SS..Hα-helixtrans-59.9-45.8176.8-176.8178.6176.400111.2R147 L148 E154 Q155R147-E151 WeakPolarHBondContact O-CB 3.25Å; R147-E151 PolarHBondContact O-N 3.2Å; L148-E151 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 2.77Å; E151-Q155 HydrophobicContact CG-CG 4.28Å; E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 3.15Å; E151-Q155 PolarHBondContact OE1-NE2 2.82Å
152I82.8Confident73.8Confident18 Ų1868.5 Ų68.59%0.09233%0.327CS..Hα-helixtrans-66.8-39.1178-69.3165.7000111.3I100 Q107 I111 L148 L149 S150 E154 C156I100-I152 HydrophobicContact CG1-CG2 4.05Å; Q107-I152 HydrophobicContact CG-CD1 4.34Å; I111-I152 HydrophobicContact CD1-CD1 3.39Å; I111-I152 HydrophobicContact CG1-CD1 3.74Å; L148-I152 WeakPolarHBondContact O-CG1 3.32Å; L148-I152 PolarHBondContact O-N 2.88Å; L149-I152 PolarHBondContact O-N 2.86Å; S150-I152 PolarHBondContact O-N 2.77Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 3.01Å; I152-C156 VanDerWaalsContact O-CB 3.25Å; I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.32Å; I152-C156 PolarHBondContact O-SG 3Å
153V81.6Confident71.4Confident25 Ų2576.8 Ų76.815%0.15237%0.365CS..Hα-helixtrans-61.5-40.2172.5167.10000111.3V92 P93 M96 I100 L149 S150 R157V92-V153 HydrophobicContact CG1-CG2 4.32Å; P93-V153 HydrophobicContact CG-CG1 4.23Å; M96-V153 HydrophobicContact CB-CG2 4.34Å; I100-V153 HydrophobicContact CD1-CG2 3.7Å; I100-V153 HydrophobicContact CG1-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CB 3.42Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.46Å; L149-V153 PolarHBondContact O-N 2.9Å; S150-V153 PolarHBondContact O-N 2.66Å; V153-R157 VanDerWaalsContact O-CB 3.29Å; V153-R157 WeakPolarHBondContact O-CB 3.33Å; V153-R157 PolarHBondContact O-N 2.87Å
154E76.1Confident69.1Low110 Ų11076.9 Ų76.951%0.51437%0.369SS..Hα-helixtrans-72-47.8179.6-174.5160.1-151.300112.2S150 E151 I152 C156 R157 Y158S150-E154 WeakPolarHBondContact O-CB 3.15Å; S150-E154 PolarHBondContact O-N 3.34Å; E151-E154 PolarHBondContact O-N 2.77Å; I152-E154 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 3.01Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 3.05Å; E154-R157 WeakPolarHBondContact O-CA 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.43Å; E154-Y158 HydrophobicContact CG-CD2 4.07Å; E154-Y158 HydrophobicContact CG-CE2 3.68Å; E154-Y158 WeakPolarHBondContact O-CD2 3.41Å; E154-Y158 PolarHBondContact O-N 3.04Å
155Q69.3Low66.4Low108 Ų10880.6 Ų80.651%0.50539%0.391SS..Hα-helixtrans-54.5-43.1171.3-71.6178.911.200111.3E151 Y158 G159E151-Q155 HydrophobicContact CG-CG 4.28Å; E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.26Å; E151-Q155 WeakPolarHBondContact O-CG 3.47Å; E151-Q155 PolarHBondContact O-N 3.15Å; E151-Q155 PolarHBondContact OE1-NE2 2.82Å; Q155-Y158 PolarHBondContact O-N 3.38Å; Q155-G159 PolarHBondContact O-N 3.46Å
156C61.4Low64.1Low16 Ų1689.4 Ų89.411%0.10844%0.435CS..Hα-helixtrans-72.7-29176.9-65.50000113.1M96 F99 I152 E154 Y158 G159M96-C156 HydrophobicContact CE-CB 4.25Å; M96-C156 HydrophobicContact SD-CB 3.58Å; M96-C156 VanDerWaalsContact SD-CB 3.58Å; F99-C156 VanDerWaalsContact CB-SG 3.51Å; I152-C156 VanDerWaalsContact O-CB 3.25Å; I152-C156 WeakPolarHBondContact O-CB 3.45Å; I152-C156 PolarHBondContact O-N 3.32Å; I152-C156 PolarHBondContact O-SG 3Å; E154-C156 VanDerWaalsContact C-N 3.27Å; E154-C156 PolarHBondContact O-N 3.05Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.02Å; C156-G159 WeakPolarHBondContact O-CA 3.44Å; C156-G159 PolarHBondContact O-N 3.04Å
157R56.3Low61.7Low192 Ų19294.5 Ų94.573%0.72547%0.465SS*.Hα-helixtrans-65.8-29.4171.8-169.6178.3-173.9176.42.6112.2M96 V153 E154 G159M96-R157 HydrophobicContact CE-CB 4.21Å; V153-R157 VanDerWaalsContact O-CB 3.29Å; V153-R157 WeakPolarHBondContact O-CB 3.33Å; V153-R157 PolarHBondContact O-N 2.87Å; E154-R157 WeakPolarHBondContact O-CA 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.43Å; R157-G159 VanDerWaalsContact C-N 3.27Å
158Y51.9Low59.8Low140 Ų14090.6 Ų90.655%0.54948%0.475SS..THydrogen-bonded Turntrans-85.17.6169.5-66.5-63.6000114.2E154 Q155 C156 Q174E154-Y158 HydrophobicContact CG-CD2 4.07Å; E154-Y158 HydrophobicContact CG-CE2 3.68Å; E154-Y158 WeakPolarHBondContact O-CD2 3.41Å; E154-Y158 PolarHBondContact O-N 3.04Å; Q155-Y158 PolarHBondContact O-N 3.38Å; C156-Y158 VanDerWaalsContact C-N 3.27Å; C156-Y158 PolarHBondContact O-N 3.02Å; Y158-Q174 WeakPolarHBondContact O-CG 3.12Å; Y158-Q174 PolarHBondContact O-NE2 2.85Å; Y158-Q174 PolarHBondContact O-OE1 3.33Å
159G42.4Very low58.3Low15 Ų1593.2 Ų93.216%0.15549%0.49CS..  trans96.4123.3167.800000114Q155 C156 R157Q155-G159 PolarHBondContact O-N 3.46Å; C156-G159 WeakPolarHBondContact O-CA 3.44Å; C156-G159 PolarHBondContact O-N 3.04Å; R157-G159 VanDerWaalsContact C-N 3.27Å
160P46.2Very low57.1Low50 Ų5097.4 Ų97.433%0.32552%0.519SS..  trans-69140.2-171.527.6-36.2000113.5F99 R221F99-P160 HydrophobicContact CD1-CB 3.98Å; F99-P160 HydrophobicContact CE1-CB 3.52Å; F99-P160 HydrophobicContact CE1-CG 3.68Å; F99-P160 HydrophobicContact CZ-CB 4.06Å; F99-P160 HydrophobicContact CZ-CG 3.7Å; P160-R221 PolarHBondContact O-NH2 3Å
161G42.3Very low56.5Low42 Ų4296.2 Ų96.243%0.43351%0.511SS..  trans-163.465.8-178.600000110.7H163G161-H163 PolarHBondContact O-N 3.2Å
162F36.8Very low56.1Low143 Ų14394.2 Ų94.263%0.62750%0.502SS*.  trans-23.6117-173.8-62.6-91.4000115.9F99F99-F162 HydrophobicContact CE1-CZ 4.5Å
163H41.3Very low55.9Low175 Ų17595.5 Ų95.581%0.8151%0.508SS*.  trans-91.1110151.1-94.542.8000108.9G161G161-H163 PolarHBondContact O-N 3.2Å
164N45.5Very low55.7Low99 Ų9996.8 Ų96.853%0.52951%0.512SS..  trans180157140.3-93.9-86.6000104.2
165D35.7Very low56.2Low160 Ų16092.3 Ų92.386%0.85649%0.492SS*.SBendtrans74.867.1-172.9-52.6-32.2000117.6D167D165-D167 PolarHBondContact O-N 3.1Å
166M43.6Very low56.9Low186 Ų18692.8 Ų92.892%0.91650%0.497SS*.SBend56.544.1127.4-126.3-56.9170.600121
167D42.2Very low58Low156 Ų15692 Ų9283%0.83449%0.492SS*.  trans-152.5107.4144.3-140.8-46.5000112.4D165 N169D165-D167 PolarHBondContact O-N 3.1Å; D167-N169 PolarHBondContact O-N 2.72Å
168G51.8Low59.4Low82 Ų8284.7 Ų84.785%0.84547%0.469SS*.  trans-100.369.7-157.500000115.5
169N56.3Low60.6Low90 Ų9079.6 Ų79.648%0.48146%0.456SS..  trans-139-7.1172.2-155.561.8000117.5D167 D225 P226D167-N169 PolarHBondContact O-N 2.72Å; N169-D225 PolarHBondContact ND2-OD1 2.81Å; N169-D225 VanDerWaalsContact O-CA 3.29Å; N169-D225 WeakPolarHBondContact O-CA 3.28Å; N169-P226 WeakPolarHBondContact O-CD 3.31Å
170S64Low62.4Low87 Ų8785.2 Ų85.261%0.60848%0.483SS*.  trans-108.2124.8-178.9-86.30000113.8
171S74.9Confident64.1Low28 Ų2883.6 Ų83.620%0.19647%0.47CS..EExtended strand (participates in β ladder)trans-104.1160.5175.474.90000111.9T223 G224 P226 V229S171-T223 WeakPolarHBondContact O-CA 3.3Å; S171-G224 WeakPolarHBondContact CA-O 3.38Å; S171-G224 PolarHBondContact N-O 3.38Å; S171-G224 PolarHBondContact O-N 2.93Å; S171-G224 VanDerWaalsContact O-O 3.05Å; S171-G224 PolarHBondContact OG-O 2.9Å; S171-P226 WeakPolarHBondContact OG-CA 3.41Å; S171-V229 WeakPolarHBondContact OG-CB 3.17Å; S171-V229 WeakPolarHBondContact OG-CG2 3.29Å
172I76.2Confident66Low56 Ų5682.7 Ų82.729%0.28746%0.457SS..EExtended strand (participates in β ladder)trans-128.5129.1170.3-65.9147.2000107.5R221 I222 T223I172-R221 HydrophobicContact CG2-CG 3.88Å; I172-I222 CarbonylContact C-O 3.54Å; I172-I222 WeakPolarHBondContact CA-O 3.3Å; I172-T223 HydrophobicContact CG1-CG2 3.77Å
173Q77.7Confident68.2Low45 Ų4578.2 Ų78.221%0.2145%0.451CS..EExtended strand (participates in β ladder)trans-124.3147.9168.4-66.5-170.831.100109.7I222 V229 Q230Q173-I222 PolarHBondContact N-O 3.32Å; Q173-I222 PolarHBondContact O-N 3.1Å; Q173-V229 HydrophobicContact CB-CG1 3.69Å; Q173-V229 HydrophobicContact CG-CG1 3.61Å; Q173-Q230 VanDerWaalsContact NE2-OE1 3.15Å
174Q78.4Confident70.2Confident52 Ų5272.1 Ų72.124%0.24342%0.424CS..EExtended strand (participates in β ladder)trans-112.2143.4168.7-68.8-173.2-10.400110.2Y158 L220 R221Y158-Q174 WeakPolarHBondContact O-CG 3.12Å; Y158-Q174 PolarHBondContact O-NE2 2.85Å; Y158-Q174 PolarHBondContact O-OE1 3.33Å; Q174-L220 CarbonylContact C-O 3.6Å; Q174-L220 WeakPolarHBondContact CA-O 3.25Å; Q174-R221 HydrophobicContact CG-CB 4.35Å; Q174-R221 HydrophobicContact CG-CG 4.47Å
175I85.6Confident72.1Confident17 Ų1767.4 Ų67.49%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-131.5140.5171.159178.5000110.8I177 P219 L220 I222 R233 V236I175-I177 HydrophobicContact CD1-CD1 4.28Å; I175-I177 HydrophobicContact CG1-CD1 4.27Å; I175-I177 HydrophobicContact CG1-CG1 4.22Å; I175-P219 WeakPolarHBondContact O-CA 3.22Å; I175-L220 HydrophobicContact CD1-CD2 4.32Å; I175-L220 HydrophobicContact CG1-CB 4.07Å; I175-L220 HydrophobicContact CG1-CD2 4.43Å; I175-L220 PolarHBondContact N-O 3.01Å; I175-L220 PolarHBondContact O-N 3.41Å; I175-I222 HydrophobicContact CD1-CD1 3.9Å; I175-I222 HydrophobicContact CG1-CD1 4.32Å; I175-R233 HydrophobicContact CG2-CG 3.91Å; I175-V236 HydrophobicContact CD1-CB 3.81Å; I175-V236 HydrophobicContact CD1-CG1 3.56Å
176L84.4Confident74.5Confident118 Ų11862.5 Ų62.562%0.61837%0.372SS*.EExtended strand (participates in β ladder)trans-81.2128.9174.8-64.4178.4000109.5D217 P219L176-D217 HydrophobicContact CB-CB 3.91Å; L176-D217 HydrophobicContact CD2-CB 4.43Å; L176-P219 HydrophobicContact CD2-CB 4.34Å
177I85.5Confident76.3Confident0 Ų054.2 Ų54.20%033%0.334CS..EExtended strand (participates in β ladder)trans-122.4116-177.6-56.1-167.6000109I175 A179 K181 V185 M206 K218 L220 V236 I240I175-I177 HydrophobicContact CD1-CD1 4.28Å; I175-I177 HydrophobicContact CG1-CD1 4.27Å; I175-I177 HydrophobicContact CG1-CG1 4.22Å; I177-A179 PolarHBondContact O-N 3.21Å; I177-K181 HydrophobicContact CG2-CB 4.31Å; I177-V185 HydrophobicContact CD1-CB 4.35Å; I177-V185 HydrophobicContact CD1-CG1 3.94Å; I177-V185 HydrophobicContact CD1-CG2 4.12Å; I177-V185 HydrophobicContact CG2-CG2 3.96Å; I177-M206 HydrophobicContact CD1-CE 4.26Å; I177-K218 WeakPolarHBondContact CB-O 3.28Å; I177-K218 PolarHBondContact N-O 2.94Å; I177-K218 PolarHBondContact O-N 2.88Å; I177-L220 HydrophobicContact CD1-CB 3.48Å; I177-L220 VanDerWaalsContact CD1-CB 3.48Å; I177-L220 HydrophobicContact CD1-CD2 3.71Å; I177-L220 HydrophobicContact CD1-CG 4.15Å; I177-L220 HydrophobicContact CG1-CB 4.1Å; I177-V236 HydrophobicContact CD1-CG1 3.7Å; I177-I240 HydrophobicContact CB-CD1 4.39Å; I177-I240 HydrophobicContact CD1-CD1 4.33Å; I177-I240 HydrophobicContact CG1-CD1 4.06Å; I177-I240 HydrophobicContact CG2-CD1 3.94Å; I177-I240 HydrophobicContact CG2-CG1 4.47Å
178P84.8Confident78.2Confident38 Ų3854.5 Ų54.525%0.24733%0.328CS..  trans-51.5138.8-179.8-31.937.5000113.9N180 K181 V182 D217P178-N180 WeakPolarHBondContact CB-OD1 3.35Å; P178-N180 PolarHBondContact O-N 3.39Å; P178-N180 VanDerWaalsContact O-N 3.12Å; P178-K181 HydrophobicContact CB-CB 4.34Å; P178-K181 HydrophobicContact CB-CG 4.05Å; P178-K181 HydrophobicContact CG-CG 4.5Å; P178-K181 CarbonylContact O-C 3.56Å; P178-K181 WeakPolarHBondContact O-CA 3.48Å; P178-K181 WeakPolarHBondContact O-CB 3.47Å; P178-K181 PolarHBondContact O-N 2.81Å; P178-V182 PolarHBondContact O-N 2.88Å; P178-D217 VanDerWaalsContact CA-OD1 3.25Å; P178-D217 WeakPolarHBondContact CA-OD1 3.17Å
179A77Confident79.5Confident33 Ų3355 Ų5527%0.27333%0.334SS..THydrogen-bonded Turntrans-58.2-31-173.300000113.4I177 V182 G215I177-A179 PolarHBondContact O-N 3.21Å; A179-V182 VanDerWaalsContact O-CG1 3.22Å; A179-V182 WeakPolarHBondContact O-CG1 3.35Å; A179-G215 WeakPolarHBondContact CB-O 3.25Å
180N80.9Confident80.8Confident133 Ų13351.7 Ų51.771%0.71132%0.321SS*.THydrogen-bonded Turntrans-73.5-22.2173.562.4-19.8000113.8P178P178-N180 WeakPolarHBondContact CB-OD1 3.35Å; P178-N180 PolarHBondContact O-N 3.39Å; P178-N180 VanDerWaalsContact O-N 3.12Å
181K81.8Confident81.8Confident15 Ų1552.5 Ų52.57%0.06532%0.315CS..THydrogen-bonded Turntrans-95.2-15.5177.8-58.4-74.8179.7144.90112.6I177 P178 G183 L184 V185 I240 K243 D244I177-K181 HydrophobicContact CG2-CB 4.31Å; P178-K181 HydrophobicContact CB-CB 4.34Å; P178-K181 HydrophobicContact CB-CG 4.05Å; P178-K181 HydrophobicContact CG-CG 4.5Å; P178-K181 CarbonylContact O-C 3.56Å; P178-K181 WeakPolarHBondContact O-CA 3.48Å; P178-K181 WeakPolarHBondContact O-CB 3.47Å; P178-K181 PolarHBondContact O-N 2.81Å; K181-G183 VanDerWaalsContact C-N 3.31Å; K181-G183 PolarHBondContact O-N 2.8Å; K181-L184 VanDerWaalsContact O-CB 3.22Å; K181-L184 WeakPolarHBondContact O-CB 3.48Å; K181-L184 PolarHBondContact O-N 2.83Å; K181-V185 PolarHBondContact O-N 2.82Å; K181-I240 HydrophobicContact CB-CG1 4.46Å; K181-I240 HydrophobicContact CD-CG2 4.4Å; K181-I240 HydrophobicContact CG-CG2 4.16Å; K181-I240 PolarHBondContact NZ-O 3.31Å; K181-K243 PolarHBondContact NZ-O 2.81Å; K181-D244 WeakPolarHBondContact CE-OD2 3.44Å; K181-D244 VanDerWaalsContact NZ-CA 3.31Å; K181-D244 IonicContact NZ-OD2 3.82Å; K181-D244 PolarHBondContact NZ-OD2 3.3Å
182V82.3Confident82.4Confident24 Ų2451.8 Ų51.815%0.14531%0.309CS..Hα-helixtrans-54-43.7-174.784.80000113.5P178 A179 L184 V185 I186 M206 K218P178-V182 PolarHBondContact O-N 2.88Å; A179-V182 VanDerWaalsContact O-CG1 3.22Å; A179-V182 WeakPolarHBondContact O-CG1 3.35Å; V182-L184 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 2.87Å; V182-I186 HydrophobicContact CG2-CD1 4.12Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.37Å; V182-M206 HydrophobicContact CG2-CE 3.62Å; V182-M206 HydrophobicContact CG2-SD 3.12Å; V182-M206 WeakPolarHBondContact CG2-SD 3.14Å; V182-K218 HydrophobicContact CG2-CB 4.22Å; V182-K218 HydrophobicContact CG2-CD 3.97Å
183G82.1Confident82.9Confident49 Ų4950 Ų5051%0.50530%0.3SS..Hα-helixtrans-71.1-15.9179.200000114.3K181 G187K181-G183 VanDerWaalsContact C-N 3.31Å; K181-G183 PolarHBondContact O-N 2.8Å; G183-G187 WeakPolarHBondContact O-CA 3.34Å; G183-G187 PolarHBondContact O-N 3.28Å
184L83.5Confident83.4Confident46 Ų4654.5 Ų54.524%0.24132%0.319CS..Hα-helixtrans-77.2-43.7172-175.168.5000110.9K181 V182 L239 K243K181-L184 VanDerWaalsContact O-CB 3.22Å; K181-L184 WeakPolarHBondContact O-CB 3.48Å; K181-L184 PolarHBondContact O-N 2.83Å; V182-L184 PolarHBondContact O-N 2.82Å; L184-L239 HydrophobicContact CD2-CD2 4.11Å; L184-L239 HydrophobicContact CD2-CG 4.47Å; L184-L239 WeakPolarHBondContact CD2-O 3.22Å; L184-L239 HydrophobicContact CG-CD2 3.85Å; L184-L239 HydrophobicContact CG-CG 4.45Å; L184-K243 HydrophobicContact CD1-CD 3.75Å; L184-K243 HydrophobicContact CD2-CB 3.86Å; L184-K243 HydrophobicContact CD2-CD 3.61Å; L184-K243 HydrophobicContact CD2-CG 4.37Å; L184-K243 HydrophobicContact CG-CD 4.32Å
185V85Confident83.9Confident0 Ų055.7 Ų55.70%032%0.324CS..Hα-helixtrans-71.4-40.8-178.8-178.30000111I177 K181 V182 I193 L220 V236 L239 I240I177-V185 HydrophobicContact CD1-CB 4.35Å; I177-V185 HydrophobicContact CD1-CG1 3.94Å; I177-V185 HydrophobicContact CD1-CG2 4.12Å; I177-V185 HydrophobicContact CG2-CG2 3.96Å; K181-V185 PolarHBondContact O-N 2.82Å; V182-V185 PolarHBondContact O-N 2.87Å; V185-I193 WeakPolarHBondContact O-CB 3.37Å; V185-I193 PolarHBondContact O-N 2.55Å; V185-I193 VanDerWaalsContact O-N 3.12Å; V185-L220 HydrophobicContact CG1-CD2 4.27Å; V185-V236 HydrophobicContact CG1-CG1 3.87Å; V185-V236 HydrophobicContact CG1-CG2 4.4Å; V185-V236 HydrophobicContact CG2-CG1 4.1Å; V185-L239 HydrophobicContact CB-CD2 4.27Å; V185-L239 HydrophobicContact CG2-CD2 3.7Å; V185-I240 HydrophobicContact CG2-CD1 4.37Å; V185-I240 HydrophobicContact CG2-CG1 4.02Å
186I86Confident84Confident57 Ų5755.7 Ų55.729%0.29232%0.324SS..Hα-helixtrans-68.5-46.1172.3-61.1170.8000110.6V182 G190 T192 I193 M206V182-I186 HydrophobicContact CG2-CD1 4.12Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.37Å; I186-G190 CarbonylContact O-C 3.59Å; I186-G190 VanDerWaalsContact O-C 3.25Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.37Å; I186-T192 PolarHBondContact O-N 2.9Å; I186-T192 VanDerWaalsContact O-N 3.12Å; I186-I193 HydrophobicContact CB-CG2 4.49Å; I186-I193 HydrophobicContact CG2-CG2 4.2Å; I186-I193 PolarHBondContact O-N 3.19Å; I186-I193 VanDerWaalsContact O-N 3.1Å; I186-M206 HydrophobicContact CD1-SD 3.97Å
187G82.6Confident84.1Confident13 Ų1352.5 Ų52.513%0.13431%0.306CS..  trans75.6170.2-171.300000113.2G183 G189 G190G183-G187 WeakPolarHBondContact O-CA 3.34Å; G183-G187 PolarHBondContact O-N 3.28Å; G187-G189 PolarHBondContact O-N 3Å; G187-G190 PolarHBondContact O-N 3.23Å
188K81.8Confident84.2Confident162 Ų16259.6 Ų59.670%0.70434%0.34SS*.G310 helixtrans-61.1124.4175.3-61.7-177.9-179.7-177.70108.8G190 E191K188-G190 PolarHBondContact O-N 3.38Å; K188-E191 VanDerWaalsContact O-CB 3.3Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 PolarHBondContact O-N 2.9Å
189G78.6Confident84.2Confident93 Ų9366.7 Ų66.796%0.95936%0.361SS*.G310 helixtrans64.617.3179.300000116G187 E191G187-G189 PolarHBondContact O-N 3Å; G189-E191 VanDerWaalsContact C-N 3.26Å; G189-E191 PolarHBondContact O-N 2.92Å
190G83.1Confident84.6Confident20 Ų2065.5 Ų65.521%0.20635%0.351CS..G310 helixtrans77.86.6-177.400000114.9I186 G187 K188 T192 I193 K194I186-G190 CarbonylContact O-C 3.59Å; I186-G190 VanDerWaalsContact O-C 3.25Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.37Å; G187-G190 PolarHBondContact O-N 3.23Å; K188-G190 PolarHBondContact O-N 3.38Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 3.42Å; G190-I193 VanDerWaalsContact O-CG2 3.27Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; G190-K194 VanDerWaalsContact O-CB 3.31Å; G190-K194 WeakPolarHBondContact O-CB 3.48Å; G190-K194 PolarHBondContact O-N 2.93Å
191E86Confident84.8Confident103 Ų10361.5 Ų61.548%0.48134%0.341SS..Hα-helixtrans-55.4-44.1-178.7-178.5-176.8-160.300113K188 G189 K194 Q195 R252K188-E191 VanDerWaalsContact O-CB 3.3Å; K188-E191 WeakPolarHBondContact O-CB 3.33Å; K188-E191 PolarHBondContact O-N 2.9Å; G189-E191 VanDerWaalsContact C-N 3.26Å; G189-E191 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-Q195 WeakPolarHBondContact O-CB 3.38Å; E191-Q195 PolarHBondContact O-N 3.48Å; E191-R252 IonicContact OE1-NH1 3.58Å; E191-R252 IonicContact OE2-CZ 2.72Å; E191-R252 IonicContact OE2-NH1 3.75Å; E191-R252 PolarHBondContact OE2-NH1 3.06Å; E191-R252 IonicContact OE2-NH2 3.95Å; E191-R252 PolarHBondContact OE2-NH2 2.98Å
192T86.4Confident85.1Confident14 Ų1461.3 Ų61.39%0.08634%0.341CS..Hα-helixtrans-76-41.4-173.9-58.10000111.8I186 G190 K194 Q195 L196 L239I186-T192 PolarHBondContact O-N 2.9Å; I186-T192 VanDerWaalsContact O-N 3.12Å; G190-T192 VanDerWaalsContact C-N 3.34Å; G190-T192 PolarHBondContact O-N 3.42Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 3.48Å; T192-Q195 PolarHBondContact O-N 2.82Å; T192-L196 HydrophobicContact CG2-CD1 4.16Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 VanDerWaalsContact O-CG 3.28Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.66Å; T192-L239 HydrophobicContact CG2-CD1 4.19Å
193I88.3Confident85.2Confident19 Ų1965.3 Ų65.310%0.09736%0.358CS..Hα-helixtrans-68.1-32.1173-171.9170.1000111.7V185 I186 G190 Q197 M204 L220V185-I193 WeakPolarHBondContact O-CB 3.37Å; V185-I193 PolarHBondContact O-N 2.55Å; V185-I193 VanDerWaalsContact O-N 3.12Å; I186-I193 HydrophobicContact CB-CG2 4.49Å; I186-I193 HydrophobicContact CG2-CG2 4.2Å; I186-I193 PolarHBondContact O-N 3.19Å; I186-I193 VanDerWaalsContact O-N 3.1Å; G190-I193 VanDerWaalsContact O-CG2 3.27Å; G190-I193 WeakPolarHBondContact O-CG2 3.36Å; I193-Q197 VanDerWaalsContact O-CG 3.25Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.19Å; I193-Q197 VanDerWaalsContact O-N 3.11Å; I193-Q197 PolarHBondContact O-NE2 3.34Å; I193-M204 HydrophobicContact CD1-CB 3.93Å; I193-M204 HydrophobicContact CG1-CB 3.85Å; I193-M204 HydrophobicContact CG1-SD 4.33Å; I193-L220 HydrophobicContact CD1-CD1 3.73Å
194K88.1Confident85.5Confident139 Ų13963.3 Ų63.360%0.60434%0.336SS*.Hα-helixtrans-66.9-46.9172.3-173.3-177.6175.4-1720111.4G190 E191 T192 L196 Q197 E198G190-K194 VanDerWaalsContact O-CB 3.31Å; G190-K194 WeakPolarHBondContact O-CB 3.48Å; G190-K194 PolarHBondContact O-N 2.93Å; E191-K194 PolarHBondContact O-N 3.33Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 3.48Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.89Å; K194-Q197 WeakPolarHBondContact O-CB 3.37Å; K194-Q197 PolarHBondContact O-N 3.39Å; K194-E198 WeakPolarHBondContact O-CB 3.26Å; K194-E198 PolarHBondContact O-N 2.9Å
195Q87.4Confident85.6Confident76 Ų7664.8 Ų64.836%0.35534%0.343SS..Hα-helixtrans-63.8-36.7178-170.7-178.543.500112.3E191 T192 R199E191-Q195 WeakPolarHBondContact O-CB 3.38Å; E191-Q195 PolarHBondContact O-N 3.48Å; T192-Q195 PolarHBondContact O-N 2.82Å; Q195-R199 WeakPolarHBondContact O-CB 3.46Å; Q195-R199 PolarHBondContact O-N 3.48Å
196L88.4Confident85.4Confident17 Ų1766.1 Ų66.19%0.08935%0.35CS..Hα-helixtrans-64.3-43.6174-77.4165.2000111.8T192 K194 T200 M204 L235 V236T192-L196 HydrophobicContact CG2-CD1 4.16Å; T192-L196 WeakPolarHBondContact O-CB 3.42Å; T192-L196 VanDerWaalsContact O-CG 3.28Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.66Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.89Å; L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 WeakPolarHBondContact O-CG2 3.34Å; L196-T200 PolarHBondContact O-N 3.25Å; L196-T200 PolarHBondContact O-OG1 2.81Å; L196-M204 HydrophobicContact CB-CE 3.83Å; L196-M204 HydrophobicContact CB-SD 3.94Å; L196-L235 HydrophobicContact CD2-CB 4.25Å; L196-V236 HydrophobicContact CD1-CG2 4.12Å
197Q86.3Confident85.1Confident51 Ų5165.2 Ų65.224%0.23835%0.345CS..Hα-helixtrans-60.8-50.9173.9-75.2172.794.800111.8I193 K194 R199 T200 G201 V202 M204I193-Q197 VanDerWaalsContact O-CG 3.25Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.19Å; I193-Q197 VanDerWaalsContact O-N 3.11Å; I193-Q197 PolarHBondContact O-NE2 3.34Å; K194-Q197 WeakPolarHBondContact O-CB 3.37Å; K194-Q197 PolarHBondContact O-N 3.39Å; Q197-R199 PolarHBondContact O-N 2.91Å; Q197-T200 PolarHBondContact O-N 3.11Å; Q197-G201 WeakPolarHBondContact O-CA 3.3Å; Q197-G201 PolarHBondContact O-N 3.05Å; Q197-V202 VanDerWaalsContact CA-O 3.28Å; Q197-V202 WeakPolarHBondContact CA-O 3.35Å; Q197-V202 WeakPolarHBondContact CB-O 3.48Å; Q197-V202 VanDerWaalsContact CG-O 3.25Å; Q197-V202 WeakPolarHBondContact CG-O 3.42Å; Q197-V202 PolarHBondContact O-N 3.21Å; Q197-M204 VanDerWaalsContact CD-N 3.27Å; Q197-M204 HydrophobicContact CG-CB 3.56Å; Q197-M204 HydrophobicContact CG-CE 4.35Å; Q197-M204 HydrophobicContact CG-CG 3.54Å; Q197-M204 HydrophobicContact CG-SD 4.04Å; Q197-M204 PolarHBondContact OE1-O 3.33Å
198E87.5Confident84Confident150 Ų15070.7 Ų70.770%0.70137%0.367SS*.Hα-helixtrans-59.9-45.8179.7-177.4171.4-168.200112.2K194 T200K194-E198 WeakPolarHBondContact O-CB 3.26Å; K194-E198 PolarHBondContact O-N 2.9Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å
199R85.2Confident82.6Confident186 Ų18669.4 Ų69.470%0.70237%0.368SS*.Hα-helixtrans-66.5-30.2-179.8-178.3174.7-178.1167.14.1113.8Q195 Q197Q195-R199 WeakPolarHBondContact O-CB 3.46Å; Q195-R199 PolarHBondContact O-N 3.48Å; Q197-R199 PolarHBondContact O-N 2.91Å
200T85.7Confident81.2Confident8 Ų869.6 Ų69.65%0.04935%0.347CS..Hα-helixtrans-103.9-14.1-175.656.50000113.3L196 Q197 E198 V202 K228 A232 L235L196-T200 WeakPolarHBondContact O-CB 3.47Å; L196-T200 WeakPolarHBondContact O-CG2 3.34Å; L196-T200 PolarHBondContact O-N 3.25Å; L196-T200 PolarHBondContact O-OG1 2.81Å; Q197-T200 PolarHBondContact O-N 3.11Å; E198-T200 VanDerWaalsContact C-N 3.32Å; E198-T200 PolarHBondContact O-N 3.43Å; T200-V202 VanDerWaalsContact C-N 3.34Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.35Å; T200-K228 WeakPolarHBondContact O-CB 2.82Å; T200-K228 VanDerWaalsContact O-CD 3.3Å; T200-K228 WeakPolarHBondContact O-CD 3.28Å; T200-K228 WeakPolarHBondContact O-CG 3.27Å; T200-A232 HydrophobicContact CG2-CB 3.98Å; T200-L235 HydrophobicContact CG2-CD1 3.59Å
201G84.1Confident79.4Confident49 Ų4975.3 Ų75.351%0.50538%0.38SS..THydrogen-bonded Turntrans67.433-176.400000113.3Q197Q197-G201 WeakPolarHBondContact O-CA 3.3Å; Q197-G201 PolarHBondContact O-N 3.05Å
202V88.5Confident77.5Confident11 Ų1176.7 Ų76.77%0.06739%0.388CS..  trans-124.8158.3176.3-45.20000110.4Q197 T200 M204 I222 T223 K228 V229 A232Q197-V202 VanDerWaalsContact CA-O 3.28Å; Q197-V202 WeakPolarHBondContact CA-O 3.35Å; Q197-V202 WeakPolarHBondContact CB-O 3.48Å; Q197-V202 VanDerWaalsContact CG-O 3.25Å; Q197-V202 WeakPolarHBondContact CG-O 3.42Å; Q197-V202 PolarHBondContact O-N 3.21Å; T200-V202 VanDerWaalsContact C-N 3.34Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.35Å; V202-M204 HydrophobicContact CG2-CE 3.52Å; V202-M204 HydrophobicContact CG2-CG 4.05Å; V202-I222 HydrophobicContact CB-CG2 4.25Å; V202-I222 HydrophobicContact CG2-CG2 3.49Å; V202-I222 VanDerWaalsContact CG2-CG2 3.49Å; V202-T223 WeakPolarHBondContact CB-O 3.38Å; V202-K228 HydrophobicContact CG1-CB 3.44Å; V202-K228 VanDerWaalsContact CG1-CB 3.44Å; V202-V229 HydrophobicContact CB-CG2 4.35Å; V202-V229 HydrophobicContact CG1-CG2 3.94Å; V202-A232 HydrophobicContact CG2-CB 3.82Å
203Q85.8Confident75.6Confident108 Ų10881 Ų8151%0.50542%0.417SS..EExtended strand (participates in β ladder)trans-90.5137.1172.4-17417811.200109.9I205 I222 T223Q203-I205 HydrophobicContact CG-CG1 4.37Å; Q203-I222 CarbonylContact O-C 3.59Å; Q203-I222 WeakPolarHBondContact O-CA 3.4Å; Q203-T223 PolarHBondContact N-O 3.44Å; Q203-T223 PolarHBondContact O-N 2.9Å
204M86.9Confident74Confident7 Ų787.6 Ų87.63%0.03446%0.458CS..EExtended strand (participates in β ladder)trans-128.6123.3178.8-62.5-179.5-160.500110.3I193 L196 Q197 V202 L220 R221 I222 A232 V236I193-M204 HydrophobicContact CD1-CB 3.93Å; I193-M204 HydrophobicContact CG1-CB 3.85Å; I193-M204 HydrophobicContact CG1-SD 4.33Å; L196-M204 HydrophobicContact CB-CE 3.83Å; L196-M204 HydrophobicContact CB-SD 3.94Å; Q197-M204 VanDerWaalsContact CD-N 3.27Å; Q197-M204 HydrophobicContact CG-CB 3.56Å; Q197-M204 HydrophobicContact CG-CE 4.35Å; Q197-M204 HydrophobicContact CG-CG 3.54Å; Q197-M204 HydrophobicContact CG-SD 4.04Å; Q197-M204 PolarHBondContact OE1-O 3.33Å; V202-M204 HydrophobicContact CG2-CE 3.52Å; V202-M204 HydrophobicContact CG2-CG 4.05Å; M204-L220 HydrophobicContact CB-CD1 4.32Å; M204-L220 HydrophobicContact SD-CD2 4.43Å; M204-R221 CarbonylContact C-O 3.57Å; M204-R221 WeakPolarHBondContact CA-O 3.46Å; M204-I222 HydrophobicContact CG-CG1 4.29Å; M204-I222 HydrophobicContact CG-CG2 4.19Å; M204-A232 HydrophobicContact CE-CB 3.67Å; M204-V236 HydrophobicContact SD-CG2 4.49Å
205I85.4Confident72.3Confident78 Ų7883.7 Ų83.740%0.446%0.457SS..EExtended strand (participates in β ladder)trans-127.1127.2-179.4-59.7177.2000108.4Q203 R221Q203-I205 HydrophobicContact CG-CG1 4.37Å; I205-R221 PolarHBondContact N-O 2.93Å; I205-R221 PolarHBondContact O-N 3.23Å
206M81.4Confident71.2Confident27 Ų2782.3 Ų82.313%0.13346%0.459CS..EExtended strand (participates in β ladder)trans-85.1120.6169.3-177.2143.2-76.700110.1I177 V182 I186 Q208 K218 L220I177-M206 HydrophobicContact CD1-CE 4.26Å; V182-M206 HydrophobicContact CG2-CE 3.62Å; V182-M206 HydrophobicContact CG2-SD 3.12Å; V182-M206 WeakPolarHBondContact CG2-SD 3.14Å; I186-M206 HydrophobicContact CD1-SD 3.97Å; M206-Q208 HydrophobicContact CG-CG 4.2Å; M206-K218 HydrophobicContact CE-CB 4.29Å; M206-K218 HydrophobicContact SD-CB 4.1Å; M206-K218 HydrophobicContact SD-CD 4.32Å; M206-L220 HydrophobicContact CB-CD1 4.25Å; M206-L220 HydrophobicContact CE-CB 3.98Å; M206-L220 HydrophobicContact CE-CD1 4.04Å
207I79.4Confident70.7Confident38 Ų3885.1 Ų85.120%0.19547%0.474CS..  trans-82.7133.6175.9-69.8168.6000107.8D209 P219 R221I207-D209 HydrophobicContact CG2-CB 4.27Å; I207-P219 HydrophobicContact CB-CG 4.03Å; I207-P219 HydrophobicContact CG2-CG 4.08Å; I207-P219 PolarHBondContact N-O 2.85Å; I207-R221 HydrophobicContact CD1-CB 4.01Å
208Q59.6Low70.5Confident129 Ų12986.1 Ų86.160%0.60348%0.478SS*.  trans-128.417.7-179-60.5-165.885.400112.1M206 D210M206-Q208 HydrophobicContact CG-CG 4.2Å; Q208-D210 PolarHBondContact O-N 2.98Å
209D51.8Low70.2Confident134 Ų13480.7 Ų80.772%0.71746%0.455SS*.  trans-91.716-154.3-52.1-36.7000115I207I207-D209 HydrophobicContact CG2-CB 4.27Å
210D50.2Low70.3Confident97 Ų9771.8 Ų71.852%0.51942%0.422SS..SBendtrans-128.6128.7169.8-83.6-61000109.3K95 Q208 M212K95-D210 IonicContact NZ-OD1 3.54Å; K95-D210 IonicContact NZ-OD2 2.71Å; Q208-D210 PolarHBondContact O-N 2.98Å; D210-M212 PolarHBondContact O-N 3.34Å
211P45.1Very low70.3Confident140 Ų14074.2 Ų74.291%0.90943%0.43SS*.  trans-77.156.5176.933.6-36.3000111.8
212M46.8Very low70.5Confident132 Ų13271.9 Ų71.965%0.6541%0.406SS*.  trans-84.2146.5-179.2-150.814456.200110D210D210-M212 PolarHBondContact O-N 3.34Å
213P46.1Very low70.4Confident105 Ų10572.8 Ų72.868%0.68241%0.411SS*.  trans-66.9149.8-159.124.1-33.7000114.4G215 A216P213-G215 PolarHBondContact O-N 2.96Å; P213-A216 PolarHBondContact O-N 3.45Å
214T53.8Low70.4Confident158 Ų15868 Ų6897%0.96939%0.392SS*.THydrogen-bonded Turntrans-55.291.2-170.5-45.50000113.5
215G53.5Low70.4Confident56 Ų5669.6 Ų69.658%0.57740%0.4SS*.THydrogen-bonded Turntrans153.4-22.6176.700000115A179 P213A179-G215 WeakPolarHBondContact CB-O 3.25Å; P213-G215 PolarHBondContact O-N 2.96Å
216A64.8Low70.3Confident48 Ų4868.5 Ų68.540%0.39740%0.398SS..SBendtrans-65.6155-179.200000113.8P213 K218P213-A216 PolarHBondContact O-N 3.45Å; A216-K218 PolarHBondContact O-N 2.82Å
217D77.3Confident70.5Confident76 Ų7675 Ų7541%0.40643%0.428SS..PPolyproline II helixtrans-58.9134.1178.6-62.7-22.6000112L176 P178L176-D217 HydrophobicContact CB-CB 3.91Å; L176-D217 HydrophobicContact CD2-CB 4.43Å; P178-D217 VanDerWaalsContact CA-OD1 3.25Å; P178-D217 WeakPolarHBondContact CA-OD1 3.17Å
218K81.4Confident70.8Confident71 Ų7177.1 Ų77.131%0.30944%0.436SS..EExtended strand (participates in β ladder)trans-94.2125.5178.2-72.7-169.1162.3-163.40111I177 V182 M206 A216 L220I177-K218 WeakPolarHBondContact CB-O 3.28Å; I177-K218 PolarHBondContact N-O 2.94Å; I177-K218 PolarHBondContact O-N 2.88Å; V182-K218 HydrophobicContact CG2-CB 4.22Å; V182-K218 HydrophobicContact CG2-CD 3.97Å; M206-K218 HydrophobicContact CE-CB 4.29Å; M206-K218 HydrophobicContact SD-CB 4.1Å; M206-K218 HydrophobicContact SD-CD 4.32Å; A216-K218 PolarHBondContact O-N 2.82Å; K218-L220 PolarHBondContact O-N 3.44Å
219P81.8Confident72.2Confident36 Ų3671 Ų7123%0.23441%0.407CS..EExtended strand (participates in β ladder)trans-72124.1178.124.3-29.6000112.5I175 L176 I207I175-P219 WeakPolarHBondContact O-CA 3.22Å; L176-P219 HydrophobicContact CD2-CB 4.34Å; I207-P219 HydrophobicContact CB-CG 4.03Å; I207-P219 HydrophobicContact CG2-CG 4.08Å; I207-P219 PolarHBondContact N-O 2.85Å
220L87.4Confident73.8Confident0 Ų068.7 Ų68.70%039%0.392CS..EExtended strand (participates in β ladder)trans-98.2122.8164.6-176.376000109.3Q174 I175 I177 V185 I193 M204 M206 K218 I222 V236Q174-L220 CarbonylContact C-O 3.6Å; Q174-L220 WeakPolarHBondContact CA-O 3.25Å; I175-L220 HydrophobicContact CD1-CD2 4.32Å; I175-L220 HydrophobicContact CG1-CB 4.07Å; I175-L220 HydrophobicContact CG1-CD2 4.43Å; I175-L220 PolarHBondContact N-O 3.01Å; I175-L220 PolarHBondContact O-N 3.41Å; I177-L220 HydrophobicContact CD1-CB 3.48Å; I177-L220 VanDerWaalsContact CD1-CB 3.48Å; I177-L220 HydrophobicContact CD1-CD2 3.71Å; I177-L220 HydrophobicContact CD1-CG 4.15Å; I177-L220 HydrophobicContact CG1-CB 4.1Å; V185-L220 HydrophobicContact CG1-CD2 4.27Å; I193-L220 HydrophobicContact CD1-CD1 3.73Å; M204-L220 HydrophobicContact CB-CD1 4.32Å; M204-L220 HydrophobicContact SD-CD2 4.43Å; M206-L220 HydrophobicContact CB-CD1 4.25Å; M206-L220 HydrophobicContact CE-CB 3.98Å; M206-L220 HydrophobicContact CE-CD1 4.04Å; K218-L220 PolarHBondContact O-N 3.44Å; L220-I222 HydrophobicContact CD2-CD1 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.07Å; L220-I222 HydrophobicContact CG-CG1 4.26Å; L220-V236 HydrophobicContact CD2-CG1 4.34Å; L220-V236 HydrophobicContact CD2-CG2 4.29Å
221R85.6Confident75.7Confident58 Ų5869 Ų6922%0.21939%0.391CS..EExtended strand (participates in β ladder)trans-90.3132.3170.1-176.3-179.9-179158.47.2109.5P160 I172 Q174 M204 I205 I207P160-R221 PolarHBondContact O-NH2 3Å; I172-R221 HydrophobicContact CG2-CG 3.88Å; Q174-R221 HydrophobicContact CG-CB 4.35Å; Q174-R221 HydrophobicContact CG-CG 4.47Å; M204-R221 CarbonylContact C-O 3.57Å; M204-R221 WeakPolarHBondContact CA-O 3.46Å; I205-R221 PolarHBondContact N-O 2.93Å; I205-R221 PolarHBondContact O-N 3.23Å; I207-R221 HydrophobicContact CD1-CB 4.01Å
222I88.8Confident77.8Confident0 Ų062.3 Ų62.30%035%0.347CS..EExtended strand (participates in β ladder)trans-122.6123.2178.4-50.2-177.8000107.5I172 Q173 I175 V202 Q203 M204 L220 V229 A232 R233I172-I222 CarbonylContact C-O 3.54Å; I172-I222 WeakPolarHBondContact CA-O 3.3Å; Q173-I222 PolarHBondContact N-O 3.32Å; Q173-I222 PolarHBondContact O-N 3.1Å; I175-I222 HydrophobicContact CD1-CD1 3.9Å; I175-I222 HydrophobicContact CG1-CD1 4.32Å; V202-I222 HydrophobicContact CB-CG2 4.25Å; V202-I222 HydrophobicContact CG2-CG2 3.49Å; V202-I222 VanDerWaalsContact CG2-CG2 3.49Å; Q203-I222 CarbonylContact O-C 3.59Å; Q203-I222 WeakPolarHBondContact O-CA 3.4Å; M204-I222 HydrophobicContact CG-CG1 4.29Å; M204-I222 HydrophobicContact CG-CG2 4.19Å; L220-I222 HydrophobicContact CD2-CD1 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.07Å; L220-I222 HydrophobicContact CG-CG1 4.26Å; I222-V229 HydrophobicContact CB-CG1 4.15Å; I222-V229 HydrophobicContact CG2-CB 4.34Å; I222-V229 HydrophobicContact CG2-CG1 3.92Å; I222-V229 HydrophobicContact CG2-CG2 4.14Å; I222-A232 HydrophobicContact CG2-CB 3.93Å; I222-R233 HydrophobicContact CD1-CB 4.32Å
223T85.1Confident79.8Confident30 Ų3060.8 Ų60.818%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-128.2128.1-172.5-56.70000110.6S171 I172 V202 Q203S171-T223 WeakPolarHBondContact O-CA 3.3Å; I172-T223 HydrophobicContact CG1-CG2 3.77Å; V202-T223 WeakPolarHBondContact CB-O 3.38Å; Q203-T223 PolarHBondContact N-O 3.44Å; Q203-T223 PolarHBondContact O-N 2.9Å
224G86.2Confident81.8Confident9 Ų962.3 Ų62.39%0.09333%0.332CS..EExtended strand (participates in β ladder)trans153.1-167.3-179.700000112.3S171 V229S171-G224 WeakPolarHBondContact CA-O 3.38Å; S171-G224 PolarHBondContact N-O 3.38Å; S171-G224 PolarHBondContact O-N 2.93Å; S171-G224 VanDerWaalsContact O-O 3.05Å; S171-G224 PolarHBondContact OG-O 2.9Å; G224-V229 VanDerWaalsContact C-CG2 3.42Å; G224-V229 VanDerWaalsContact N-CG2 3.34Å; G224-V229 WeakPolarHBondContact O-CG2 3.43Å
225D86.6Confident83.4Confident39 Ų3957.1 Ų57.121%0.20930%0.298CS..  trans-58.3139.1-173.6-47.8-28.1000112.8N169 H227 K228 V229N169-D225 PolarHBondContact ND2-OD1 2.81Å; N169-D225 VanDerWaalsContact O-CA 3.29Å; N169-D225 WeakPolarHBondContact O-CA 3.28Å; D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 3.46Å; D225-H227 VanDerWaalsContact O-N 3.15Å; D225-K228 HydrophobicContact CB-CB 4.3Å; D225-K228 HydrophobicContact CB-CD 3.93Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 CarbonylContact O-C 3.31Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.33Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 VanDerWaalsContact OD2-CD 3.28Å; D225-K228 WeakPolarHBondContact OD2-CD 3.4Å; D225-K228 WeakPolarHBondContact OD2-CE 3.49Å; D225-K228 IonicContact OD2-NZ 2.66Å; D225-K228 PolarHBondContact OD2-NZ 2.66Å; D225-V229 PolarHBondContact O-N 3.49Å
226P83.9Confident85Confident56 Ų5654.5 Ų54.536%0.36427%0.271SS..Hα-helixtrans-54.9-40.6-17117.9-31.1000114N169 S171 Q230N169-P226 WeakPolarHBondContact O-CD 3.31Å; S171-P226 WeakPolarHBondContact OG-CA 3.41Å; P226-Q230 WeakPolarHBondContact O-CB 3.34Å; P226-Q230 PolarHBondContact O-N 2.96Å
227H84.9Confident86.1Confident164 Ų16454.7 Ų54.776%0.75927%0.267SS*.Hα-helixtrans-65.9-39.1175.1-65.3-85.1000112.7D225 Q231D225-H227 VanDerWaalsContact C-N 3.3Å; D225-H227 PolarHBondContact O-N 3.46Å; D225-H227 VanDerWaalsContact O-N 3.15Å; H227-Q231 WeakPolarHBondContact O-CB 3.48Å; H227-Q231 PolarHBondContact O-N 2.77Å; H227-Q231 VanDerWaalsContact O-N 3.1Å
228K86.9Confident86.4Confident81 Ų8156.7 Ų56.735%0.35227%0.272SS..Hα-helixtrans-73.3-40.1179-66175.7179.61630112T200 V202 D225 Q231 A232T200-K228 WeakPolarHBondContact O-CB 2.82Å; T200-K228 VanDerWaalsContact O-CD 3.3Å; T200-K228 WeakPolarHBondContact O-CD 3.28Å; T200-K228 WeakPolarHBondContact O-CG 3.27Å; V202-K228 HydrophobicContact CG1-CB 3.44Å; V202-K228 VanDerWaalsContact CG1-CB 3.44Å; D225-K228 HydrophobicContact CB-CB 4.3Å; D225-K228 HydrophobicContact CB-CD 3.93Å; D225-K228 HydrophobicContact CB-CG 4.14Å; D225-K228 CarbonylContact O-C 3.31Å; D225-K228 WeakPolarHBondContact O-CA 3.49Å; D225-K228 WeakPolarHBondContact O-CB 3.33Å; D225-K228 PolarHBondContact O-N 2.96Å; D225-K228 VanDerWaalsContact OD2-CD 3.28Å; D225-K228 WeakPolarHBondContact OD2-CD 3.4Å; D225-K228 WeakPolarHBondContact OD2-CE 3.49Å; D225-K228 IonicContact OD2-NZ 2.66Å; D225-K228 PolarHBondContact OD2-NZ 2.66Å; K228-Q231 PolarHBondContact O-N 3.48Å; K228-A232 VanDerWaalsContact O-CB 3.26Å; K228-A232 WeakPolarHBondContact O-CB 3.31Å; K228-A232 PolarHBondContact O-N 3Å
229V87.5Confident86.6Confident0 Ų055.1 Ų55.10%027%0.267CS..Hα-helixtrans-66.1-39.6176.9171.50000110.8S171 Q173 V202 I222 G224 D225 A232 R233S171-V229 WeakPolarHBondContact OG-CB 3.17Å; S171-V229 WeakPolarHBondContact OG-CG2 3.29Å; Q173-V229 HydrophobicContact CB-CG1 3.69Å; Q173-V229 HydrophobicContact CG-CG1 3.61Å; V202-V229 HydrophobicContact CB-CG2 4.35Å; V202-V229 HydrophobicContact CG1-CG2 3.94Å; I222-V229 HydrophobicContact CB-CG1 4.15Å; I222-V229 HydrophobicContact CG2-CB 4.34Å; I222-V229 HydrophobicContact CG2-CG1 3.92Å; I222-V229 HydrophobicContact CG2-CG2 4.14Å; G224-V229 VanDerWaalsContact C-CG2 3.42Å; G224-V229 VanDerWaalsContact N-CG2 3.34Å; G224-V229 WeakPolarHBondContact O-CG2 3.43Å; D225-V229 PolarHBondContact O-N 3.49Å; V229-A232 PolarHBondContact O-N 2.86Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 2.81Å
230Q86.3Confident86.7Confident87 Ų8754.6 Ų54.641%0.40726%0.262SS..Hα-helixtrans-63.6-45173.1-172.862.219.600111.9Q173 P226 R233 E234Q173-Q230 VanDerWaalsContact NE2-OE1 3.15Å; P226-Q230 WeakPolarHBondContact O-CB 3.34Å; P226-Q230 PolarHBondContact O-N 2.96Å; Q230-R233 PolarHBondContact O-N 2.96Å; Q230-E234 PolarHBondContact O-N 2.99Å
231Q89.3Confident86.4Confident103 Ų10363.2 Ų63.248%0.48130%0.295SS..Hα-helixtrans-61.8-42.3174.5-178.8-178.47500112.2H227 K228 E234 L235H227-Q231 WeakPolarHBondContact O-CB 3.48Å; H227-Q231 PolarHBondContact O-N 2.77Å; H227-Q231 VanDerWaalsContact O-N 3.1Å; K228-Q231 PolarHBondContact O-N 3.48Å; Q231-E234 PolarHBondContact O-N 3.12Å; Q231-L235 HydrophobicContact CG-CD1 4.18Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 2.81Å
232A89.3Confident85.6Confident0 Ų065.6 Ų65.60%031%0.311CS..Hα-helixtrans-63.4-44.517700000112.4T200 V202 M204 I222 K228 V229 E234 L235 V236T200-A232 HydrophobicContact CG2-CB 3.98Å; V202-A232 HydrophobicContact CG2-CB 3.82Å; M204-A232 HydrophobicContact CE-CB 3.67Å; I222-A232 HydrophobicContact CG2-CB 3.93Å; K228-A232 VanDerWaalsContact O-CB 3.26Å; K228-A232 WeakPolarHBondContact O-CB 3.31Å; K228-A232 PolarHBondContact O-N 3Å; V229-A232 PolarHBondContact O-N 2.86Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.49Å; A232-L235 PolarHBondContact O-N 2.83Å; A232-V236 WeakPolarHBondContact O-CG2 3.18Å; A232-V236 PolarHBondContact O-N 3.27Å
233R88.7Confident84.2Confident100 Ų10070.2 Ų70.238%0.37733%0.332SS..Hα-helixtrans-57.3-46.6172.7164.9171174.8-155.9-0.6111.5I175 I222 V229 Q230 V236 V237I175-R233 HydrophobicContact CG2-CG 3.91Å; I222-R233 HydrophobicContact CD1-CB 4.32Å; V229-R233 WeakPolarHBondContact O-CB 3.44Å; V229-R233 PolarHBondContact O-N 2.81Å; Q230-R233 PolarHBondContact O-N 2.96Å; R233-V236 PolarHBondContact O-N 3.34Å; R233-V237 WeakPolarHBondContact O-CB 3.16Å; R233-V237 WeakPolarHBondContact O-CG2 3.25Å; R233-V237 PolarHBondContact O-N 3.05Å
234E87.9Confident82.5Confident136 Ų13674.4 Ų74.464%0.63635%0.353SS*.Hα-helixtrans-63.8-42.5178.6-173.5171-164.400111.9Q230 Q231 A232 V236 V237 K238Q230-E234 PolarHBondContact O-N 2.99Å; Q231-E234 PolarHBondContact O-N 3.12Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 3.49Å; E234-V236 PolarHBondContact O-N 3.3Å; E234-V237 PolarHBondContact O-N 2.93Å; E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.22Å
235L87.9Confident80.6Confident50 Ų5082.1 Ų82.126%0.26239%0.387SS..Hα-helixtrans-62.3-39.9174.8-73.3169.6000112.8L196 T200 Q231 A232 L239L196-L235 HydrophobicContact CD2-CB 4.25Å; T200-L235 HydrophobicContact CG2-CD1 3.59Å; Q231-L235 HydrophobicContact CG-CD1 4.18Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 2.81Å; A232-L235 PolarHBondContact O-N 2.83Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.21Å; L235-L239 PolarHBondContact O-N 3.1Å
236V88.6Confident78.5Confident0 Ų084.3 Ų84.30%042%0.418CS..Hα-helixtrans-70.2-42.8175.9176.40000111.4I175 I177 V185 L196 M204 L220 A232 R233 E234 K238 L239 I240I175-V236 HydrophobicContact CD1-CB 3.81Å; I175-V236 HydrophobicContact CD1-CG1 3.56Å; I177-V236 HydrophobicContact CD1-CG1 3.7Å; V185-V236 HydrophobicContact CG1-CG1 3.87Å; V185-V236 HydrophobicContact CG1-CG2 4.4Å; V185-V236 HydrophobicContact CG2-CG1 4.1Å; L196-V236 HydrophobicContact CD1-CG2 4.12Å; M204-V236 HydrophobicContact SD-CG2 4.49Å; L220-V236 HydrophobicContact CD2-CG1 4.34Å; L220-V236 HydrophobicContact CD2-CG2 4.29Å; A232-V236 WeakPolarHBondContact O-CG2 3.18Å; A232-V236 PolarHBondContact O-N 3.27Å; R233-V236 PolarHBondContact O-N 3.34Å; E234-V236 PolarHBondContact O-N 3.3Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 3.27Å; V236-L239 PolarHBondContact O-N 3.12Å; V236-I240 HydrophobicContact CG1-CD1 3.93Å; V236-I240 VanDerWaalsContact O-CG1 3.31Å; V236-I240 WeakPolarHBondContact O-CG1 3.42Å; V236-I240 PolarHBondContact O-N 3.36Å
237V86.9Confident76.4Confident53 Ų5387.6 Ų87.632%0.32143%0.433SS..Hα-helixtrans-62.2-40.1175.2169.10000111.1R233 E234 I240 R241R233-V237 WeakPolarHBondContact O-CB 3.16Å; R233-V237 WeakPolarHBondContact O-CG2 3.25Å; R233-V237 PolarHBondContact O-N 3.05Å; E234-V237 PolarHBondContact O-N 2.93Å; V237-I240 PolarHBondContact O-N 3.42Å; V237-R241 HydrophobicContact CG1-CG 4.48Å; V237-R241 WeakPolarHBondContact O-CB 3.12Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.23Å
238K83.9Confident74.2Confident117 Ų11785.8 Ų85.851%0.50942%0.423SS..Hα-helixtrans-61.6-48.4172.6-178.6167.5179.1167.50111.4E234 V236 I240 R241 D242E234-K238 VanDerWaalsContact O-CB 3.3Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.22Å; V236-K238 VanDerWaalsContact C-N 3.32Å; V236-K238 PolarHBondContact O-N 3.27Å; K238-I240 PolarHBondContact O-N 3.02Å; K238-R241 PolarHBondContact O-N 3.12Å; K238-D242 WeakPolarHBondContact CE-OD2 3.32Å; K238-D242 WeakPolarHBondContact CG-OD1 3.3Å; K238-D242 WeakPolarHBondContact CG-OD2 3.27Å; K238-D242 IonicContact NZ-OD2 3.32Å; K238-D242 WeakPolarHBondContact O-CB 3.39Å; K238-D242 PolarHBondContact O-N 2.83Å
239L84.3Confident72.1Confident38 Ų3893.2 Ų93.220%0.19945%0.449CS..Hα-helixtrans-61.8-26.3178.2-173.3131000113.2L184 V185 T192 L235 V236L184-L239 HydrophobicContact CD2-CD2 4.11Å; L184-L239 HydrophobicContact CD2-CG 4.47Å; L184-L239 WeakPolarHBondContact CD2-O 3.22Å; L184-L239 HydrophobicContact CG-CD2 3.85Å; L184-L239 HydrophobicContact CG-CG 4.45Å; V185-L239 HydrophobicContact CB-CD2 4.27Å; V185-L239 HydrophobicContact CG2-CD2 3.7Å; T192-L239 HydrophobicContact CG2-CD1 4.19Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.21Å; L235-L239 PolarHBondContact O-N 3.1Å; V236-L239 PolarHBondContact O-N 3.12Å
240I84.5Confident70.2Confident26 Ų2696.5 Ų96.513%0.13348%0.476CS..Hα-helixtrans-76.8-42.6171.2-68.2163.1000111.8I177 K181 V185 V236 V237 K238I177-I240 HydrophobicContact CB-CD1 4.39Å; I177-I240 HydrophobicContact CD1-CD1 4.33Å; I177-I240 HydrophobicContact CG1-CD1 4.06Å; I177-I240 HydrophobicContact CG2-CD1 3.94Å; I177-I240 HydrophobicContact CG2-CG1 4.47Å; K181-I240 HydrophobicContact CB-CG1 4.46Å; K181-I240 HydrophobicContact CD-CG2 4.4Å; K181-I240 HydrophobicContact CG-CG2 4.16Å; K181-I240 PolarHBondContact NZ-O 3.31Å; V185-I240 HydrophobicContact CG2-CD1 4.37Å; V185-I240 HydrophobicContact CG2-CG1 4.02Å; V236-I240 HydrophobicContact CG1-CD1 3.93Å; V236-I240 VanDerWaalsContact O-CG1 3.31Å; V236-I240 WeakPolarHBondContact O-CG1 3.42Å; V236-I240 PolarHBondContact O-N 3.36Å; V237-I240 PolarHBondContact O-N 3.42Å; K238-I240 PolarHBondContact O-N 3.02Å
241R81.4Confident68Low181 Ų18194.5 Ų94.568%0.68348%0.478SS*.Hα-helixtrans-74.3-48.8-176.9-80.1-179168.2-174.8-3.9114.3V237 K238 K243 D244V237-R241 HydrophobicContact CG1-CG 4.48Å; V237-R241 WeakPolarHBondContact O-CB 3.12Å; V237-R241 WeakPolarHBondContact O-CG 3.3Å; V237-R241 PolarHBondContact O-N 3.23Å; K238-R241 PolarHBondContact O-N 3.12Å; R241-K243 PolarHBondContact O-N 2.88Å; R241-D244 WeakPolarHBondContact O-CB 3.35Å; R241-D244 PolarHBondContact O-N 3.16Å
242D68.6Low65.7Low107 Ų10795.4 Ų95.457%0.57248%0.477SS*.THydrogen-bonded Turntrans-57.8-19.2-179.3-72.17.7000112K238K238-D242 WeakPolarHBondContact CE-OD2 3.32Å; K238-D242 WeakPolarHBondContact CG-OD1 3.3Å; K238-D242 WeakPolarHBondContact CG-OD2 3.27Å; K238-D242 IonicContact NZ-OD2 3.32Å; K238-D242 WeakPolarHBondContact O-CB 3.39Å; K238-D242 PolarHBondContact O-N 2.83Å
243K59.7Low63.5Low98 Ų98100.6 Ų100.643%0.42650%0.504SS..THydrogen-bonded Turntrans-114.122.6176.1-146.8-167.3-179.9-172.40114.2K181 L184 R241K181-K243 PolarHBondContact NZ-O 2.81Å; L184-K243 HydrophobicContact CD1-CD 3.75Å; L184-K243 HydrophobicContact CD2-CB 3.86Å; L184-K243 HydrophobicContact CD2-CD 3.61Å; L184-K243 HydrophobicContact CD2-CG 4.37Å; L184-K243 HydrophobicContact CG-CD 4.32Å; R241-K243 PolarHBondContact O-N 2.88Å
244D49.5Very low61.1Low118 Ų11899.7 Ų99.763%0.63151%0.507SS*.THydrogen-bonded Turntrans-101.2-28.9166.6-143.4-129.3000111.4K181 R241 G246K181-D244 WeakPolarHBondContact CE-OD2 3.44Å; K181-D244 VanDerWaalsContact NZ-CA 3.31Å; K181-D244 IonicContact NZ-OD2 3.82Å; K181-D244 PolarHBondContact NZ-OD2 3.3Å; R241-D244 WeakPolarHBondContact O-CB 3.35Å; R241-D244 PolarHBondContact O-N 3.16Å; D244-G246 PolarHBondContact O-N 2.94Å
245Q46.6Very low58.9Low171 Ų171102.6 Ų102.680%0.79952%0.518SS*.SBendtrans-78.364.2-179.1-166.2171.52.600113.1D247Q245-D247 PolarHBondContact O-N 2.76Å
246G42.3Very low56.7Low85 Ų85103.4 Ų103.488%0.87654%0.538SS*.SBendtrans70.1-33.8156.800000119.1D244D244-G246 PolarHBondContact O-N 2.94Å
247D39.8Very low54.5Low125 Ų125106.8 Ų106.867%0.66856%0.562SS**  trans-106.4177.5-165.8-103.4-64.6000114.2Q245Q245-D247 PolarHBondContact O-N 2.76Å
248F37.8Very low52.3Low125 Ų125114 Ų11455%0.54859%0.589SS.*  trans62.273.9-179.1-74.7-81000116.6
249R44.2Very low50.4Low238 Ų238117.6 Ų117.690%0.89861%0.61SS**SBend-62.3146.9123-75.9-175.9170.4-172-1.8108.6G251R249-G251 PolarHBondContact O-N 3.34Å
250A46.2Very low48.5Very low69 Ų69118.1 Ų118.157%0.5763%0.625SS**SBendtrans722.6179.700000119.2R252A250-R252 PolarHBondContact O-N 2.89Å; A250-R252 VanDerWaalsContact O-N 3.08Å
251G40.3Very low46.9Very low44 Ų44120 Ų12045%0.45465%0.65SS.*  trans-74.893.9170.100000112.8R249R249-G251 PolarHBondContact O-N 3.34Å
252R42.2Very low46.2Very low122 Ų122112.9 Ų112.946%0.4663%0.629SS.*  trans-127.8138.5166.8-153176.1-160.9-117.2-10.2109.9E191 A250 D254E191-R252 IonicContact OE1-NH1 3.58Å; E191-R252 IonicContact OE2-CZ 2.72Å; E191-R252 IonicContact OE2-NH1 3.75Å; E191-R252 PolarHBondContact OE2-NH1 3.06Å; E191-R252 IonicContact OE2-NH2 3.95Å; E191-R252 PolarHBondContact OE2-NH2 2.98Å; A250-R252 PolarHBondContact O-N 2.89Å; A250-R252 VanDerWaalsContact O-N 3.08Å; R252-D254 PolarHBondContact O-N 2.86Å
253L42.8Very low46.6Very low109 Ų109110.6 Ų110.657%0.57162%0.621SS**  trans-58.3131.7-177.1-71.470.9000110.2
254D37.2Very low47.7Very low81 Ų81107.6 Ų107.643%0.43361%0.609SS.*  trans-111.2114156.9-150-47.4000109.4R252 G256 S257R252-D254 PolarHBondContact O-N 2.86Å; D254-G256 PolarHBondContact OD1-N 3.19Å; D254-G256 VanDerWaalsContact OD1-N 3.16Å; D254-S257 VanDerWaalsContact CG-OG 3.26Å; D254-S257 WeakPolarHBondContact OD1-CB 3.39Å; D254-S257 PolarHBondContact OD1-N 3.44Å; D254-S257 PolarHBondContact OD1-OG 3.34Å; D254-S257 WeakPolarHBondContact OD2-CB 3.31Å; D254-S257 PolarHBondContact OD2-OG 3.44Å
255F42.8Very low49.5Very low198 Ų198104.6 Ų104.687%0.86859%0.593SS**SBendtrans-141.128.9171.4-133.7-90.3000109
256G40.7Very low51.5Low66 Ų6697 Ų9768%0.6856%0.558SS**  trans-173.6-0.6-165.900000117.9D254 K258D254-G256 PolarHBondContact OD1-N 3.19Å; D254-G256 VanDerWaalsContact OD1-N 3.16Å; G256-K258 VanDerWaalsContact C-N 3.34Å; G256-K258 PolarHBondContact O-N 2.96Å
257S42Very low53.7Low71 Ų7197 Ų9750%0.49754%0.541SS..  trans-75.185178.1-67.10000112.8D254 M259D254-S257 VanDerWaalsContact CG-OG 3.26Å; D254-S257 WeakPolarHBondContact OD1-CB 3.39Å; D254-S257 PolarHBondContact OD1-N 3.44Å; D254-S257 PolarHBondContact OD1-OG 3.34Å; D254-S257 WeakPolarHBondContact OD2-CB 3.31Å; D254-S257 PolarHBondContact OD2-OG 3.44Å; S257-M259 PolarHBondContact O-N 3.27Å
258K42.6Very low56Low206 Ų20691 Ų9190%0.89651%0.509SS*.THydrogen-bonded Turntrans-58.598.9159-177.6179.4179.2179.10109.5G256G256-K258 VanDerWaalsContact C-N 3.34Å; G256-K258 PolarHBondContact O-N 2.96Å
259M44Very low58.5Low191 Ų19186.1 Ų86.194%0.94149%0.49SS*.THydrogen-bonded Turntrans69.258.7167.8-162.1172.8-76.900115.9S257S257-M259 PolarHBondContact O-N 3.27Å
260G43.1Very low60.4Low50 Ų5079.2 Ų79.252%0.51546%0.464SS..  trans-152.6121.1165.400000111.1S262G260-S262 PolarHBondContact O-N 3.4Å
261G51.2Low62.3Low65 Ų6580.4 Ų80.467%0.6746%0.456SS*.  trans-67.9124.3-17300000113.2G313G261-G313 CarbonylContact C-O 3.6Å
262S66.5Low64.4Low32 Ų3278.3 Ų78.322%0.22444%0.435CS..EExtended strand (participates in β ladder)trans-60.3141.1175.866.40000111.8G260 M312 G313 P315G260-S262 PolarHBondContact O-N 3.4Å; S262-M312 WeakPolarHBondContact O-CA 3.49Å; S262-G313 PolarHBondContact N-O 2.68Å; S262-G313 PolarHBondContact O-N 2.81Å; S262-G313 PolarHBondContact OG-O 2.89Å; S262-P315 WeakPolarHBondContact OG-CA 3.42Å
263S76.9Confident66.6Low58 Ų5872.8 Ų72.841%0.40641%0.414SS..EExtended strand (participates in β ladder)trans-117.1116175.6770000112.1Q310 V311S263-Q310 PolarHBondContact OG-NE2 3.46Å; S263-V311 CarbonylContact C-O 3.58Å; S263-V311 VanDerWaalsContact CA-O 3.24Å; S263-V311 WeakPolarHBondContact CA-O 3.46Å
264L83.9Confident68.5Low35 Ų3570 Ų7018%0.18341%0.413CS..EExtended strand (participates in β ladder)trans-99.3124.5176.9178.164.4000109.6V266 V311 C318 A322L264-V266 HydrophobicContact CD2-CG2 4.28Å; L264-V266 HydrophobicContact CG-CG2 4.18Å; L264-V311 HydrophobicContact CB-CB 4.45Å; L264-V311 PolarHBondContact N-O 2.83Å; L264-V311 PolarHBondContact O-N 3.36Å; L264-C318 HydrophobicContact CB-CB 4.07Å; L264-C318 HydrophobicContact CD2-CB 4.15Å; L264-A322 HydrophobicContact CD2-CB 3.82Å
265D87.5Confident70.8Confident56 Ų5669.6 Ų69.630%0.29941%0.41SS..EExtended strand (participates in β ladder)trans-89.1119.8171.6-87.5-12.7000109.5K298 V308 Q310D265-K298 IonicContact OD1-NZ 3.31Å; D265-K298 PolarHBondContact OD1-NZ 3Å; D265-K298 IonicContact OD2-NZ 2.66Å; D265-K298 PolarHBondContact OD2-NZ 3.41Å; D265-V308 HydrophobicContact CB-CG1 3.67Å; D265-Q310 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q310 WeakPolarHBondContact OD1-CG 3.22Å
266V88Confident73Confident11 Ų1160.2 Ų60.27%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-106.7132177.6-177.70000109.3L264 V268 V308 A309 V311 A322 I325L264-V266 HydrophobicContact CD2-CG2 4.28Å; L264-V266 HydrophobicContact CG-CG2 4.18Å; V266-V268 HydrophobicContact CG1-CG2 4.18Å; V266-V308 CarbonylContact O-C 3.52Å; V266-V308 WeakPolarHBondContact O-CA 3.24Å; V266-A309 HydrophobicContact CB-CB 4.48Å; V266-A309 PolarHBondContact N-O 2.76Å; V266-A309 PolarHBondContact O-N 3.38Å; V266-V311 HydrophobicContact CG2-CG2 3.85Å; V266-A322 HydrophobicContact CG2-CB 3.68Å; V266-I325 HydrophobicContact CG1-CG2 3.99Å
267V87.9Confident75.3Confident84 Ų8459.7 Ų59.751%0.50935%0.35SS..EExtended strand (participates in β ladder)trans-85.4130.1175.4-176.70000109.3D306V267-D306 HydrophobicContact CG1-CB 3.64Å
268V89.1Confident77.4Confident0 Ų057.3 Ų57.30%034%0.336CS..EExtended strand (participates in β ladder)trans-134.1118.8-173.9-175.80000110.1V266 A272 V273 I276 F297 R307 A309 I325 V329V266-V268 HydrophobicContact CG1-CG2 4.18Å; V268-A272 HydrophobicContact CG1-CB 4.36Å; V268-V273 HydrophobicContact CB-CG2 4.08Å; V268-V273 HydrophobicContact CG1-CG2 3.57Å; V268-I276 HydrophobicContact CG1-CD1 3.32Å; V268-F297 HydrophobicContact CB-CE1 4.32Å; V268-F297 HydrophobicContact CG1-CE1 4.4Å; V268-F297 HydrophobicContact CG2-CE1 4.26Å; V268-R307 PolarHBondContact N-O 3.37Å; V268-R307 PolarHBondContact O-N 3.07Å; V268-A309 HydrophobicContact CG2-CB 3.98Å; V268-I325 HydrophobicContact CG2-CG2 3.77Å; V268-V329 HydrophobicContact CG1-CG2 4.12Å
269P89.1Confident79.4Confident23 Ų2357.2 Ų57.215%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-58139.2176.2-27.236.1000112.8F271 A272 V273 D306 V329P269-F271 VanDerWaalsContact C-N 3.26Å; P269-F271 HydrophobicContact CB-CD1 3.68Å; P269-F271 HydrophobicContact CB-CE1 3.28Å; P269-F271 HydrophobicContact CB-CZ 3.92Å; P269-F271 HydrophobicContact CG-CE1 4.12Å; P269-F271 HydrophobicContact CG-CZ 4.43Å; P269-F271 PolarHBondContact O-N 2.88Å; P269-F271 VanDerWaalsContact O-N 3.13Å; P269-A272 PolarHBondContact O-N 3.4Å; P269-V273 PolarHBondContact O-N 3.19Å; P269-D306 WeakPolarHBondContact CA-OD1 3.43Å; P269-V329 HydrophobicContact CG-CG1 3.97Å
270R84.6Confident81.2Confident92 Ų9255.7 Ų55.735%0.34733%0.326SS..Hα-helixtrans-59-31-170.3-78.116583.3-154.44.1114.6D300 G302 S304 P305 R307R270-D300 IonicContact CZ-OD1 2.67Å; R270-D300 IonicContact CZ-OD2 2.81Å; R270-D300 IonicContact NE-OD1 2.81Å; R270-D300 PolarHBondContact NE-OD1 3.34Å; R270-D300 IonicContact NE-OD2 3.14Å; R270-D300 PolarHBondContact NE-OD2 2.93Å; R270-D300 IonicContact NH2-OD1 3.6Å; R270-D300 PolarHBondContact NH2-OD1 2.92Å; R270-D300 IonicContact NH2-OD2 2.85Å; R270-G302 VanDerWaalsContact CZ-O 3.24Å; R270-G302 PolarHBondContact NH1-O 2.85Å; R270-G302 PolarHBondContact NH2-O 2.94Å; R270-S304 WeakPolarHBondContact CD-O 3.47Å; R270-S304 PolarHBondContact NE-O 3.44Å; R270-S304 PolarHBondContact NH1-O 3.39Å; R270-P305 VanDerWaalsContact CB-O 3.3Å; R270-P305 WeakPolarHBondContact CB-O 3.34Å; R270-P305 WeakPolarHBondContact CD-O 3.17Å; R270-P305 WeakPolarHBondContact CG-O 3.38Å; R270-P305 PolarHBondContact N-O 3.15Å; R270-R307 HydrophobicContact CG-CG 3.71Å
271F85.6Confident83.2Confident95 Ų9553.9 Ų53.942%0.41731%0.307SS..Hα-helixtrans-64.3-42.9174.168.2-91000111.9P269 V273 A332 Q333P269-F271 VanDerWaalsContact C-N 3.26Å; P269-F271 HydrophobicContact CB-CD1 3.68Å; P269-F271 HydrophobicContact CB-CE1 3.28Å; P269-F271 HydrophobicContact CB-CZ 3.92Å; P269-F271 HydrophobicContact CG-CE1 4.12Å; P269-F271 HydrophobicContact CG-CZ 4.43Å; P269-F271 PolarHBondContact O-N 2.88Å; P269-F271 VanDerWaalsContact O-N 3.13Å; F271-V273 PolarHBondContact O-N 3.37Å; F271-A332 HydrophobicContact CE2-CB 4.29Å; F271-Q333 HydrophobicContact CE2-CB 4.12Å; F271-Q333 HydrophobicContact CZ-CB 4.05Å; F271-Q333 HydrophobicContact CZ-CG 4.24Å
272A85.7Confident85Confident0 Ų057.2 Ų57.20%031%0.305CS..Hα-helixtrans-72.9-26.5-178.200000113.5V268 P269 G274 I275 I276 V329 A332V268-A272 HydrophobicContact CG1-CB 4.36Å; P269-A272 PolarHBondContact O-N 3.4Å; A272-G274 PolarHBondContact O-N 3.24Å; A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 2.77Å; A272-I276 HydrophobicContact CB-CD1 4.03Å; A272-I276 WeakPolarHBondContact O-CD1 3.46Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 2.81Å; A272-V329 HydrophobicContact CB-CB 4.27Å; A272-V329 HydrophobicContact CB-CG1 4.2Å; A272-V329 HydrophobicContact CB-CG2 3.89Å; A272-A332 HydrophobicContact CB-CB 4.45Å
273V86.5Confident86.1Confident5 Ų559 Ų593%0.0331%0.311CS..Hα-helixtrans-54.8-39.1-179.2177.30000112.3V268 P269 F271 I275 I276 I277 F297 R307V268-V273 HydrophobicContact CB-CG2 4.08Å; V268-V273 HydrophobicContact CG1-CG2 3.57Å; P269-V273 PolarHBondContact O-N 3.19Å; F271-V273 PolarHBondContact O-N 3.37Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.25Å; V273-I276 PolarHBondContact O-N 2.55Å; V273-I277 HydrophobicContact CG1-CD1 3.69Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CB 3.44Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.42Å; V273-I277 PolarHBondContact O-N 3.08Å; V273-F297 HydrophobicContact CB-CE1 4.36Å; V273-F297 HydrophobicContact CG1-CD1 3.98Å; V273-F297 HydrophobicContact CG1-CE1 3.74Å; V273-F297 HydrophobicContact CG1-CG 4.5Å; V273-F297 HydrophobicContact CG1-CZ 4.07Å; V273-F297 HydrophobicContact CG2-CD1 4.48Å; V273-F297 HydrophobicContact CG2-CE1 3.94Å; V273-R307 HydrophobicContact CG2-CB 4.22Å
274G83.6Confident86.7Confident52 Ų5257.1 Ų57.154%0.53630%0.296SS..Hα-helixtrans-63.9-33.6177.400000113.4A272 G278A272-G274 PolarHBondContact O-N 3.24Å; G274-G278 PolarHBondContact O-N 3.27Å
275I86.3Confident87.1Confident72 Ų7261.6 Ų61.637%0.36931%0.314SS..Hα-helixtrans-76-45.5178.7-64.7165.4000110.2A272 V273 I277 G278 M283 A332A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 2.77Å; V273-I275 VanDerWaalsContact C-N 3.29Å; V273-I275 PolarHBondContact O-N 3.25Å; I275-I277 PolarHBondContact O-N 3.43Å; I275-G278 WeakPolarHBondContact O-CA 3.48Å; I275-G278 PolarHBondContact O-N 3.29Å; I275-G278 VanDerWaalsContact O-N 3.09Å; I275-M283 VanDerWaalsContact O-SD 3.42Å; I275-A332 HydrophobicContact CD1-CB 3.46Å; I275-A332 VanDerWaalsContact CD1-CB 3.46Å
276I88.1Confident87.2Confident0 Ų065.7 Ų65.70%033%0.329CS..Hα-helixtrans-66.2-37.8-179.5-65.4152.7000111.8V268 A272 V273 M283 I284 I287 F297 I325 L328 V329V268-I276 HydrophobicContact CG1-CD1 3.32Å; A272-I276 HydrophobicContact CB-CD1 4.03Å; A272-I276 WeakPolarHBondContact O-CD1 3.46Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-I276 PolarHBondContact O-N 2.81Å; V273-I276 PolarHBondContact O-N 2.55Å; I276-M283 CarbonylContact O-C 3.47Å; I276-I284 WeakPolarHBondContact O-CA 3.35Å; I276-I284 PolarHBondContact O-N 2.65Å; I276-I287 HydrophobicContact CG2-CD1 4.16Å; I276-F297 HydrophobicContact CB-CZ 4.44Å; I276-F297 HydrophobicContact CG2-CE2 4.39Å; I276-F297 HydrophobicContact CG2-CZ 3.94Å; I276-I325 HydrophobicContact CD1-CG2 4.06Å; I276-I325 HydrophobicContact CG2-CG1 4.31Å; I276-L328 HydrophobicContact CG1-CB 4.05Å; I276-V329 HydrophobicContact CD1-CG2 3.74Å
277I88.9Confident87.3Confident56 Ų5665.6 Ų65.629%0.28733%0.329SS..Hα-helixtrans-65.7-49.1168.4-65.7172.6000109.3V273 I275 G281 M283 I284 F297V273-I277 HydrophobicContact CG1-CD1 3.69Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CB 3.44Å; V273-I277 VanDerWaalsContact O-CG1 3.3Å; V273-I277 WeakPolarHBondContact O-CG1 3.42Å; V273-I277 PolarHBondContact O-N 3.08Å; I275-I277 PolarHBondContact O-N 3.43Å; I277-G281 CarbonylContact O-C 3.25Å; I277-G281 VanDerWaalsContact O-C 3.28Å; I277-G281 VanDerWaalsContact O-CA 3.23Å; I277-G281 WeakPolarHBondContact O-CA 3.29Å; I277-M283 PolarHBondContact O-N 2.69Å; I277-I284 HydrophobicContact CG2-CG2 4.32Å; I277-I284 PolarHBondContact O-N 2.93Å; I277-F297 HydrophobicContact CD1-CD2 4.1Å; I277-F297 HydrophobicContact CD1-CE2 4.18Å; I277-F297 HydrophobicContact CG1-CD2 3.99Å; I277-F297 HydrophobicContact CG1-CE2 3.64Å; I277-F297 HydrophobicContact CG1-CZ 4.33Å
278G86.2Confident87.4Confident21 Ų2164 Ų6422%0.21632%0.316CS..  trans71.8174.4-177.600000113G274 I275 N280 G281G274-G278 PolarHBondContact O-N 3.27Å; I275-G278 WeakPolarHBondContact O-CA 3.48Å; I275-G278 PolarHBondContact O-N 3.29Å; I275-G278 VanDerWaalsContact O-N 3.09Å; G278-N280 PolarHBondContact O-N 2.85Å; G278-G281 PolarHBondContact O-N 3.45Å; G278-G281 VanDerWaalsContact O-N 3.15Å
279R84.6Confident87.5Confident204 Ų20470.7 Ų70.777%0.7735%0.351SS*.G310 helixtrans-57.8128.5179.1-65.1-176.8-67.1-163.2-0.9109.6G281 E282R279-G281 PolarHBondContact O-N 2.86Å; R279-E282 VanDerWaalsContact O-CB 3.22Å; R279-E282 WeakPolarHBondContact O-CB 3.39Å; R279-E282 PolarHBondContact O-N 2.72Å
280N82.4Confident87.5Confident158 Ų15874.2 Ų74.285%0.84537%0.369SS*.G310 helixtrans5422-179.1-54.7-25.3000115.6G278 E282 K285G278-N280 PolarHBondContact O-N 2.85Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.25Å; N280-K285 PolarHBondContact O-NZ 3.1Å; N280-K285 VanDerWaalsContact O-NZ 3.16Å
281G84.9Confident87.6Confident12 Ų1270 Ų7012%0.12435%0.353CS..G310 helixtrans71.218.9-174.700000114.1I277 G278 R279 I284 K285I277-G281 CarbonylContact O-C 3.25Å; I277-G281 VanDerWaalsContact O-C 3.28Å; I277-G281 VanDerWaalsContact O-CA 3.23Å; I277-G281 WeakPolarHBondContact O-CA 3.29Å; G278-G281 PolarHBondContact O-N 3.45Å; G278-G281 VanDerWaalsContact O-N 3.15Å; R279-G281 PolarHBondContact O-N 2.86Å; G281-I284 VanDerWaalsContact O-CG2 3.23Å; G281-I284 WeakPolarHBondContact O-CG2 3Å; G281-K285 WeakPolarHBondContact O-CB 3.47Å; G281-K285 VanDerWaalsContact O-CD 3.28Å; G281-K285 WeakPolarHBondContact O-CD 3.23Å; G281-K285 WeakPolarHBondContact O-CG 3.39Å; G281-K285 PolarHBondContact O-N 3.5Å; G281-K285 VanDerWaalsContact O-N 3.09Å
282E88.9Confident87.7Confident135 Ų13567.9 Ų67.963%0.63136%0.359SS*.Hα-helixtrans-64.8-42.4-178-175.4178.8-16300112.4R279 N280 K285 K286R279-E282 VanDerWaalsContact O-CB 3.22Å; R279-E282 WeakPolarHBondContact O-CB 3.39Å; R279-E282 PolarHBondContact O-N 2.72Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.25Å; E282-K285 PolarHBondContact O-N 2.83Å; E282-K286 PolarHBondContact O-N 3.23Å
283M88.7Confident87.9Confident69 Ų6968.4 Ų68.434%0.3436%0.362SS..Hα-helixtrans-71-44.2-177-175.4150.6-83.900111.5I275 I276 I277 K285 K286 I287 L328I275-M283 VanDerWaalsContact O-SD 3.42Å; I276-M283 CarbonylContact O-C 3.47Å; I277-M283 PolarHBondContact O-N 2.69Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 2.84Å; M283-K286 WeakPolarHBondContact O-CB 3.5Å; M283-K286 PolarHBondContact O-N 3.31Å; M283-K286 VanDerWaalsContact O-N 3.14Å; M283-I287 HydrophobicContact CG-CD1 4.12Å; M283-I287 VanDerWaalsContact O-CG1 3.32Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.89Å; M283-L328 HydrophobicContact CG-CD1 4.13Å; M283-L328 HydrophobicContact SD-CD1 3.86Å; M283-L328 HydrophobicContact SD-CD2 3.96Å
284I90.9Very high88.1Confident20 Ų2076 Ų7610%0.10339%0.39CS..Hα-helixtrans-62.5-39.8173.7-172.6-176.2000111.6I276 I277 G281 K286 I287 Q288 I295 F297I276-I284 WeakPolarHBondContact O-CA 3.35Å; I276-I284 PolarHBondContact O-N 2.65Å; I277-I284 HydrophobicContact CG2-CG2 4.32Å; I277-I284 PolarHBondContact O-N 2.93Å; G281-I284 VanDerWaalsContact O-CG2 3.23Å; G281-I284 WeakPolarHBondContact O-CG2 3Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.35Å; I284-I287 PolarHBondContact O-N 2.92Å; I284-Q288 HydrophobicContact CG1-CG 4.38Å; I284-Q288 WeakPolarHBondContact O-CB 3.47Å; I284-Q288 WeakPolarHBondContact O-CG 3.42Å; I284-Q288 PolarHBondContact O-N 3.35Å; I284-I295 HydrophobicContact CD1-CB 4.03Å; I284-I295 HydrophobicContact CD1-CG2 4.03Å; I284-I295 HydrophobicContact CG1-CB 4.07Å; I284-I295 HydrophobicContact CG1-CD1 4.33Å; I284-I295 HydrophobicContact CG1-CG2 4.32Å; I284-F297 HydrophobicContact CD1-CD2 4.01Å; I284-F297 HydrophobicContact CD1-CE2 3.84Å
285K90.8Very high88.4Confident128 Ų12873.8 Ų73.856%0.55737%0.366SS*.Hα-helixtrans-62.1-39.7173.5-75.9165.1-173157.30111.9N280 G281 E282 M283 Q288 N289N280-K285 PolarHBondContact O-NZ 3.1Å; N280-K285 VanDerWaalsContact O-NZ 3.16Å; G281-K285 WeakPolarHBondContact O-CB 3.47Å; G281-K285 VanDerWaalsContact O-CD 3.28Å; G281-K285 WeakPolarHBondContact O-CD 3.23Å; G281-K285 WeakPolarHBondContact O-CG 3.39Å; G281-K285 PolarHBondContact O-N 3.5Å; G281-K285 VanDerWaalsContact O-N 3.09Å; E282-K285 PolarHBondContact O-N 2.83Å; M283-K285 VanDerWaalsContact C-N 3.34Å; M283-K285 PolarHBondContact O-N 2.84Å; K285-Q288 PolarHBondContact O-N 2.92Å; K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 2.85Å
286K90Very high88.5Confident142 Ų14275.1 Ų75.162%0.61737%0.37SS*.Hα-helixtrans-61-51.7174.6-169.2-167.5174.4-163.80110.8E282 M283 I284 Q288 N289 D290E282-K286 PolarHBondContact O-N 3.23Å; M283-K286 WeakPolarHBondContact O-CB 3.5Å; M283-K286 PolarHBondContact O-N 3.31Å; M283-K286 VanDerWaalsContact O-N 3.14Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.35Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.13Å; K286-N289 PolarHBondContact O-N 3.16Å; K286-N289 VanDerWaalsContact O-N 3.16Å; K286-D290 WeakPolarHBondContact O-CB 3.44Å; K286-D290 PolarHBondContact O-N 2.91Å
287I89.9Confident88.6Confident10 Ų1076 Ų765%0.05137%0.374CS..Hα-helixtrans-61.2-41.4-179.7-57.1157.8000110.8I276 M283 I284 A291 I295 A321 L324 L328I276-I287 HydrophobicContact CG2-CD1 4.16Å; M283-I287 HydrophobicContact CG-CD1 4.12Å; M283-I287 VanDerWaalsContact O-CG1 3.32Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.89Å; I284-I287 PolarHBondContact O-N 2.92Å; I287-A291 WeakPolarHBondContact O-CB 3.26Å; I287-A291 PolarHBondContact O-N 3.25Å; I287-I295 HydrophobicContact CB-CD1 4.15Å; I287-I295 HydrophobicContact CG2-CD1 3.73Å; I287-A321 HydrophobicContact CG2-CB 4.46Å; I287-L324 HydrophobicContact CG2-CB 4.11Å; I287-L324 HydrophobicContact CG2-CD1 4.23Å; I287-L328 HydrophobicContact CD1-CD1 3.57Å; I287-L328 HydrophobicContact CG1-CD1 4.31Å
288Q89.9Confident88.4Confident51 Ų5177 Ų7724%0.23838%0.376CS..Hα-helixtrans-59.2-44.9174.2-76.9179.813.900112.6I284 K285 K286 G292 V293 I295I284-Q288 HydrophobicContact CG1-CG 4.38Å; I284-Q288 WeakPolarHBondContact O-CB 3.47Å; I284-Q288 WeakPolarHBondContact O-CG 3.42Å; I284-Q288 PolarHBondContact O-N 3.35Å; K285-Q288 PolarHBondContact O-N 2.92Å; K286-Q288 VanDerWaalsContact C-N 3.32Å; K286-Q288 PolarHBondContact O-N 3.13Å; Q288-G292 CarbonylContact O-C 3.56Å; Q288-G292 VanDerWaalsContact O-CA 3.22Å; Q288-G292 WeakPolarHBondContact O-CA 3.49Å; Q288-G292 PolarHBondContact O-N 2.8Å; Q288-V293 CarbonylContact C-O 3.54Å; Q288-V293 VanDerWaalsContact CA-O 3.23Å; Q288-V293 WeakPolarHBondContact CA-O 3.21Å; Q288-V293 WeakPolarHBondContact CB-O 3.49Å; Q288-V293 VanDerWaalsContact CG-O 3.29Å; Q288-V293 WeakPolarHBondContact CG-O 3.24Å; Q288-V293 PolarHBondContact O-N 2.78Å; Q288-I295 HydrophobicContact CG-CB 4.02Å; Q288-I295 HydrophobicContact CG-CD1 3.93Å; Q288-I295 HydrophobicContact CG-CG1 3.81Å; Q288-I295 VanDerWaalsContact NE2-N 3.19Å; Q288-I295 PolarHBondContact NE2-O 2.93Å
289N92.1Very high87.8Confident140 Ų14084.8 Ų84.875%0.74941%0.407SS*.Hα-helixtrans-70.8-43.8179.4-175.899.3000112.3K285 K286 G292K285-N289 WeakPolarHBondContact O-CB 3.47Å; K285-N289 PolarHBondContact O-N 2.85Å; K286-N289 PolarHBondContact O-N 3.16Å; K286-N289 VanDerWaalsContact O-N 3.16Å; N289-G292 PolarHBondContact O-N 3.05Å
290D89.1Confident87.4Confident97 Ų9777.4 Ų77.452%0.51938%0.383SS..Hα-helixtrans-67.7-44.9-174.7-162.869000112K286K286-D290 WeakPolarHBondContact O-CB 3.44Å; K286-D290 PolarHBondContact O-N 2.91Å
291A87.3Confident86.9Confident3 Ų376.5 Ų76.53%0.02538%0.378CS..Hα-helixtrans-86.6-8.517300000113.5I287 V293 H317 A321I287-A291 WeakPolarHBondContact O-CB 3.26Å; I287-A291 PolarHBondContact O-N 3.25Å; A291-V293 HydrophobicContact CB-CG1 4.39Å; A291-V293 HydrophobicContact CB-CG2 4.1Å; A291-H317 VanDerWaalsContact O-CB 3.29Å; A291-H317 WeakPolarHBondContact O-CB 3.32Å; A291-H317 PolarHBondContact O-ND1 2.84Å; A291-A321 HydrophobicContact CB-CB 3.75Å
292G86.4Confident85.9Confident51 Ų5177.8 Ų77.853%0.52639%0.391SS..THydrogen-bonded Turntrans64.339.8-177.800000114.1Q288 N289Q288-G292 CarbonylContact O-C 3.56Å; Q288-G292 VanDerWaalsContact O-CA 3.22Å; Q288-G292 WeakPolarHBondContact O-CA 3.49Å; Q288-G292 PolarHBondContact O-N 2.8Å; N289-G292 PolarHBondContact O-N 3.05Å
293V91.3Very high85Confident11 Ų1177.8 Ų77.87%0.06740%0.401CS..  trans-127.4163.9-177.7-59.60000111.9Q288 A291 I295 V311 H317 A321Q288-V293 CarbonylContact C-O 3.54Å; Q288-V293 VanDerWaalsContact CA-O 3.23Å; Q288-V293 WeakPolarHBondContact CA-O 3.21Å; Q288-V293 WeakPolarHBondContact CB-O 3.49Å; Q288-V293 VanDerWaalsContact CG-O 3.29Å; Q288-V293 WeakPolarHBondContact CG-O 3.24Å; Q288-V293 PolarHBondContact O-N 2.78Å; A291-V293 HydrophobicContact CB-CG1 4.39Å; A291-V293 HydrophobicContact CB-CG2 4.1Å; V293-I295 HydrophobicContact CG2-CD1 4.34Å; V293-I295 HydrophobicContact CG2-CG1 4Å; V293-V311 HydrophobicContact CB-CG1 3.89Å; V293-V311 HydrophobicContact CG1-CG1 4.24Å; V293-V311 HydrophobicContact CG2-CG1 3.7Å; V293-H317 HydrophobicContact CG1-CB 3.66Å; V293-A321 HydrophobicContact CG1-CB 4.46Å; V293-A321 HydrophobicContact CG2-CB 3.58Å
294R89.9Confident84.3Confident164 Ų16476.7 Ų76.762%0.61940%0.4SS*.EExtended strand (participates in β ladder)trans-108.7116.2173.6-178-179.9175.9-176.6-1.8110.4M312R294-M312 HydrophobicContact CB-CB 4.43Å; R294-M312 HydrophobicContact CB-CE 4.5Å; R294-M312 HydrophobicContact CG-CE 4.06Å; R294-M312 PolarHBondContact N-O 2.82Å; R294-M312 PolarHBondContact O-N 2.82Å
295I90.5Very high83.7Confident6 Ų680.4 Ų80.43%0.03143%0.425CS..EExtended strand (participates in β ladder)trans-103.3125.8-178.1-53.8167.4000109.6I284 I287 Q288 V293 A309 Q310 V311 I325I284-I295 HydrophobicContact CD1-CB 4.03Å; I284-I295 HydrophobicContact CD1-CG2 4.03Å; I284-I295 HydrophobicContact CG1-CB 4.07Å; I284-I295 HydrophobicContact CG1-CD1 4.33Å; I284-I295 HydrophobicContact CG1-CG2 4.32Å; I287-I295 HydrophobicContact CB-CD1 4.15Å; I287-I295 HydrophobicContact CG2-CD1 3.73Å; Q288-I295 HydrophobicContact CG-CB 4.02Å; Q288-I295 HydrophobicContact CG-CD1 3.93Å; Q288-I295 HydrophobicContact CG-CG1 3.81Å; Q288-I295 VanDerWaalsContact NE2-N 3.19Å; Q288-I295 PolarHBondContact NE2-O 2.93Å; V293-I295 HydrophobicContact CG2-CD1 4.34Å; V293-I295 HydrophobicContact CG2-CG1 4Å; I295-A309 HydrophobicContact CG2-CB 4.27Å; I295-Q310 CarbonylContact C-O 3.59Å; I295-Q310 WeakPolarHBondContact CA-O 3.22Å; I295-V311 HydrophobicContact CG1-CG1 4.21Å; I295-V311 HydrophobicContact CG1-CG2 4.23Å; I295-V311 HydrophobicContact CG2-CG2 4.43Å; I295-I325 HydrophobicContact CD1-CD1 4.22Å
296Q88.3Confident83.5Confident99 Ų9977.5 Ų77.546%0.46342%0.415SS..EExtended strand (participates in β ladder)trans-127110.8179179.36064.700109.9Q310 M312Q296-Q310 PolarHBondContact N-O 3.01Å; Q296-Q310 WeakPolarHBondContact O-CB 3.36Å; Q296-Q310 PolarHBondContact O-N 2.93Å; Q296-M312 HydrophobicContact CB-CE 3.89Å
297F89.3Confident83.3Confident20 Ų2073.5 Ų73.59%0.08840%0.396CS..EExtended strand (participates in β ladder)trans-68.4135.6169.7-75.4-86.3000110.4V268 V273 I276 I277 I284 A309V268-F297 HydrophobicContact CB-CE1 4.32Å; V268-F297 HydrophobicContact CG1-CE1 4.4Å; V268-F297 HydrophobicContact CG2-CE1 4.26Å; V273-F297 HydrophobicContact CB-CE1 4.36Å; V273-F297 HydrophobicContact CG1-CD1 3.98Å; V273-F297 HydrophobicContact CG1-CE1 3.74Å; V273-F297 HydrophobicContact CG1-CG 4.5Å; V273-F297 HydrophobicContact CG1-CZ 4.07Å; V273-F297 HydrophobicContact CG2-CD1 4.48Å; V273-F297 HydrophobicContact CG2-CE1 3.94Å; I276-F297 HydrophobicContact CB-CZ 4.44Å; I276-F297 HydrophobicContact CG2-CE2 4.39Å; I276-F297 HydrophobicContact CG2-CZ 3.94Å; I277-F297 HydrophobicContact CD1-CD2 4.1Å; I277-F297 HydrophobicContact CD1-CE2 4.18Å; I277-F297 HydrophobicContact CG1-CD2 3.99Å; I277-F297 HydrophobicContact CG1-CE2 3.64Å; I277-F297 HydrophobicContact CG1-CZ 4.33Å; I284-F297 HydrophobicContact CD1-CD2 4.01Å; I284-F297 HydrophobicContact CD1-CE2 3.84Å; F297-A309 HydrophobicContact CD1-CB 3.83Å; F297-A309 HydrophobicContact CE1-CB 3.61Å; F297-A309 HydrophobicContact CG-CB 4.43Å; F297-A309 HydrophobicContact CZ-CB 4.03Å
298K85.7Confident83.1Confident75 Ų7575.3 Ų75.333%0.32641%0.408SS..PPolyproline II helixtrans-76.7162.4170.9-72.8168.91701550110.3D265 R307 V308D265-K298 IonicContact OD1-NZ 3.31Å; D265-K298 PolarHBondContact OD1-NZ 3Å; D265-K298 IonicContact OD2-NZ 2.66Å; D265-K298 PolarHBondContact OD2-NZ 3.41Å; K298-R307 PolarHBondContact O-NH2 2.85Å; K298-V308 HydrophobicContact CD-CB 4.06Å; K298-V308 HydrophobicContact CD-CG1 3.95Å; K298-V308 PolarHBondContact N-O 2.88Å
299Q73.7Confident83Confident185 Ų18572.9 Ų72.986%0.86440%0.397SS*.PPolyproline II helixtrans-61.8144.7177.9-171.8164.2-17.900110
300D75.1Confident82.9Confident50 Ų5068.5 Ų68.527%0.26737%0.372SS..PPolyproline II helixtrans-87.1125.4178.9-169.3-167.3000109.5R270 G302 R307R270-D300 IonicContact CZ-OD1 2.67Å; R270-D300 IonicContact CZ-OD2 2.81Å; R270-D300 IonicContact NE-OD1 2.81Å; R270-D300 PolarHBondContact NE-OD1 3.34Å; R270-D300 IonicContact NE-OD2 3.14Å; R270-D300 PolarHBondContact NE-OD2 2.93Å; R270-D300 IonicContact NH2-OD1 3.6Å; R270-D300 PolarHBondContact NH2-OD1 2.92Å; R270-D300 IonicContact NH2-OD2 2.85Å; D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 PolarHBondContact OD2-N 2.93Å; D300-R307 HydrophobicContact CB-CG 4.2Å; D300-R307 WeakPolarHBondContact OD2-CG 3.41Å
301D71.3Confident83Confident138 Ų13863.9 Ų63.974%0.73835%0.347SS*.  trans-73.2-4.8172.5-63.3-67.8000112.2V303D301-V303 PolarHBondContact O-N 3.39Å
302G65.1Low83Confident39 Ų3966.5 Ų66.540%0.40236%0.359SS..SBendtrans80.3-29.2171.300000114.7R270 D300R270-G302 VanDerWaalsContact CZ-O 3.24Å; R270-G302 PolarHBondContact NH1-O 2.85Å; R270-G302 PolarHBondContact NH2-O 2.94Å; D300-G302 PolarHBondContact O-N 3.37Å; D300-G302 PolarHBondContact OD2-N 2.93Å
303V70.4Confident83Confident136 Ų13664.8 Ų64.882%0.82434%0.342SS*.SBendtrans-91.8-36.9-177.9-176.70000112.6D301D301-V303 PolarHBondContact O-N 3.39Å
304S73.3Confident82.8Confident46 Ų4669.8 Ų69.832%0.32236%0.364SS..SBendtrans-60.1150.3179.8-55.70000112.2R270 D306R270-S304 WeakPolarHBondContact CD-O 3.47Å; R270-S304 PolarHBondContact NE-O 3.44Å; R270-S304 PolarHBondContact NH1-O 3.39Å; S304-D306 VanDerWaalsContact C-N 3.34Å; S304-D306 WeakPolarHBondContact CB-O 3.33Å
305P79.3Confident82.3Confident97 Ų9764.5 Ų64.563%0.6335%0.351SS*.SBendtrans-76.2-23.8168.529.4-31.7000112.6R270R270-P305 VanDerWaalsContact CB-O 3.3Å; R270-P305 WeakPolarHBondContact CB-O 3.34Å; R270-P305 WeakPolarHBondContact CD-O 3.17Å; R270-P305 WeakPolarHBondContact CG-O 3.38Å; R270-P305 PolarHBondContact N-O 3.15Å
306D85.4Confident82.1Confident67 Ų6769.7 Ų69.736%0.35838%0.379SS..EExtended strand (participates in β ladder)trans-116.9159.6-173.9-52-60.3000112.9V267 P269 S304V267-D306 HydrophobicContact CG1-CB 3.64Å; P269-D306 WeakPolarHBondContact CA-OD1 3.43Å; S304-D306 VanDerWaalsContact C-N 3.34Å; S304-D306 WeakPolarHBondContact CB-O 3.33Å
307R85.4Confident82.1Confident58 Ų5868.8 Ų68.822%0.21938%0.375CS..EExtended strand (participates in β ladder)trans-130.3151173.1-73.3179.365.9-168.8-0.2111V268 R270 V273 K298 D300V268-R307 PolarHBondContact N-O 3.37Å; V268-R307 PolarHBondContact O-N 3.07Å; R270-R307 HydrophobicContact CG-CG 3.71Å; V273-R307 HydrophobicContact CG2-CB 4.22Å; K298-R307 PolarHBondContact O-NH2 2.85Å; D300-R307 HydrophobicContact CB-CG 4.2Å; D300-R307 WeakPolarHBondContact OD2-CG 3.41Å
308V86.1Confident82.1Confident49 Ų4967.9 Ų67.930%0.29737%0.371SS..EExtended strand (participates in β ladder)trans-95126.5179.4-177.30000111.3D265 V266 K298D265-V308 HydrophobicContact CB-CG1 3.67Å; V266-V308 CarbonylContact O-C 3.52Å; V266-V308 WeakPolarHBondContact O-CA 3.24Å; K298-V308 HydrophobicContact CD-CB 4.06Å; K298-V308 HydrophobicContact CD-CG1 3.95Å; K298-V308 PolarHBondContact N-O 2.88Å
309A88.6Confident82.2Confident0 Ų070 Ų700%038%0.382CS..EExtended strand (participates in β ladder)trans-101.1112.5169.400000109.8V266 V268 I295 F297V266-A309 HydrophobicContact CB-CB 4.48Å; V266-A309 PolarHBondContact N-O 2.76Å; V266-A309 PolarHBondContact O-N 3.38Å; V268-A309 HydrophobicContact CG2-CB 3.98Å; I295-A309 HydrophobicContact CG2-CB 4.27Å; F297-A309 HydrophobicContact CD1-CB 3.83Å; F297-A309 HydrophobicContact CE1-CB 3.61Å; F297-A309 HydrophobicContact CG-CB 4.43Å; F297-A309 HydrophobicContact CZ-CB 4.03Å
310Q89.5Confident83Confident48 Ų4865.7 Ų65.722%0.22436%0.361CS..EExtended strand (participates in β ladder)trans-86.5111.4176.7-171.3172.99.800110S263 D265 I295 Q296 M312S263-Q310 PolarHBondContact OG-NE2 3.46Å; D265-Q310 WeakPolarHBondContact OD1-CB 3.43Å; D265-Q310 WeakPolarHBondContact OD1-CG 3.22Å; I295-Q310 CarbonylContact C-O 3.59Å; I295-Q310 WeakPolarHBondContact CA-O 3.22Å; Q296-Q310 PolarHBondContact N-O 3.01Å; Q296-Q310 WeakPolarHBondContact O-CB 3.36Å; Q296-Q310 PolarHBondContact O-N 2.93Å; Q310-M312 HydrophobicContact CG-CG 4.3Å
311V91.2Very high83.7Confident0 Ų063.3 Ų63.30%035%0.349CS..EExtended strand (participates in β ladder)trans-96.2123.2178.2-172.30000109S263 L264 V266 V293 I295 C318 A321 I325S263-V311 CarbonylContact C-O 3.58Å; S263-V311 VanDerWaalsContact CA-O 3.24Å; S263-V311 WeakPolarHBondContact CA-O 3.46Å; L264-V311 HydrophobicContact CB-CB 4.45Å; L264-V311 PolarHBondContact N-O 2.83Å; L264-V311 PolarHBondContact O-N 3.36Å; V266-V311 HydrophobicContact CG2-CG2 3.85Å; V293-V311 HydrophobicContact CB-CG1 3.89Å; V293-V311 HydrophobicContact CG1-CG1 4.24Å; V293-V311 HydrophobicContact CG2-CG1 3.7Å; I295-V311 HydrophobicContact CG1-CG1 4.21Å; I295-V311 HydrophobicContact CG1-CG2 4.23Å; I295-V311 HydrophobicContact CG2-CG2 4.43Å; V311-C318 HydrophobicContact CG1-CB 4.17Å; V311-A321 HydrophobicContact CG1-CB 3.93Å; V311-I325 HydrophobicContact CG2-CD1 4.04Å
312M87.6Confident84.7Confident57 Ų5757.3 Ų57.328%0.28132%0.318SS..EExtended strand (participates in β ladder)trans-119.6126.8-176.7-65.4170.1-78.800111.2S262 R294 Q296 Q310S262-M312 WeakPolarHBondContact O-CA 3.49Å; R294-M312 HydrophobicContact CB-CB 4.43Å; R294-M312 HydrophobicContact CB-CE 4.5Å; R294-M312 HydrophobicContact CG-CE 4.06Å; R294-M312 PolarHBondContact N-O 2.82Å; R294-M312 PolarHBondContact O-N 2.82Å; Q296-M312 HydrophobicContact CB-CE 3.89Å; Q310-M312 HydrophobicContact CG-CG 4.3Å
313G86.3Confident85.9Confident15 Ų1561 Ų6116%0.15533%0.325CS..EExtended strand (participates in β ladder)trans168-159-177.800000114.8G261 S262 C318G261-G313 CarbonylContact C-O 3.6Å; S262-G313 PolarHBondContact N-O 2.68Å; S262-G313 PolarHBondContact O-N 2.81Å; S262-G313 PolarHBondContact OG-O 2.89Å; G313-C318 PolarHBondContact N-SG 2.91Å; G313-C318 VanDerWaalsContact N-SG 3.37Å
314Q86.2Confident86.9Confident116 Ų11656.7 Ų56.754%0.54230%0.297SS..  trans-58.6141.6165-84.8-93.449.900109.9D316 H317 C318Q314-D316 PolarHBondContact O-N 3.36Å; Q314-H317 HydrophobicContact CB-CB 3.78Å; Q314-H317 VanDerWaalsContact CB-CD2 3.49Å; Q314-H317 WeakPolarHBondContact CB-CD2 3.43Å; Q314-H317 WeakPolarHBondContact O-CB 3.38Å; Q314-H317 PolarHBondContact O-N 3.16Å; Q314-C318 PolarHBondContact O-N 3.4Å; Q314-C318 PolarHBondContact O-SG 2.71Å
315P81Confident87.7Confident53 Ų5354.5 Ų54.534%0.34428%0.281SS..Hα-helixtrans-60.4-45.9-17723-33000112.5S262 H317 C318 H319S262-P315 WeakPolarHBondContact OG-CA 3.42Å; P315-H317 VanDerWaalsContact C-N 3.29Å; P315-H317 PolarHBondContact O-N 2.97Å; P315-C318 WeakPolarHBondContact O-CB 3.22Å; P315-C318 PolarHBondContact O-N 3.14Å; P315-H319 PolarHBondContact O-N 3.47Å; P315-H319 VanDerWaalsContact O-N 3.07Å; P315-H319 PolarHBondContact O-ND1 3.49Å
316D84.7Confident88.2Confident116 Ų11653.9 Ų53.962%0.6227%0.273SS*.Hα-helixtrans-62.6-38.8179.6-48.8-70.8000111.8Q314 H319 H320Q314-D316 PolarHBondContact O-N 3.36Å; D316-H319 PolarHBondContact O-N 3.43Å; D316-H320 PolarHBondContact O-N 2.81Å
317H89.8Confident88.4Confident80 Ų8055.5 Ų55.537%0.3728%0.278SS..Hα-helixtrans-67.8-38.3176.7-69.8-133.1000112A291 V293 Q314 P315 H320 A321A291-H317 VanDerWaalsContact O-CB 3.29Å; A291-H317 WeakPolarHBondContact O-CB 3.32Å; A291-H317 PolarHBondContact O-ND1 2.84Å; V293-H317 HydrophobicContact CG1-CB 3.66Å; Q314-H317 HydrophobicContact CB-CB 3.78Å; Q314-H317 VanDerWaalsContact CB-CD2 3.49Å; Q314-H317 WeakPolarHBondContact CB-CD2 3.43Å; Q314-H317 WeakPolarHBondContact O-CB 3.38Å; Q314-H317 PolarHBondContact O-N 3.16Å; P315-H317 VanDerWaalsContact C-N 3.29Å; P315-H317 PolarHBondContact O-N 2.97Å; H317-H320 PolarHBondContact O-N 2.96Å; H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 3.27Å
318C88.2Confident88.5Confident1 Ų154.6 Ų54.61%0.00728%0.278CS..Hα-helixtrans-63.4-40.3174.2-730000111.8L264 V311 G313 Q314 P315 A321 A322L264-C318 HydrophobicContact CB-CB 4.07Å; L264-C318 HydrophobicContact CD2-CB 4.15Å; V311-C318 HydrophobicContact CG1-CB 4.17Å; G313-C318 PolarHBondContact N-SG 2.91Å; G313-C318 VanDerWaalsContact N-SG 3.37Å; Q314-C318 PolarHBondContact O-N 3.4Å; Q314-C318 PolarHBondContact O-SG 2.71Å; P315-C318 WeakPolarHBondContact O-CB 3.22Å; P315-C318 PolarHBondContact O-N 3.14Å; C318-A321 PolarHBondContact O-N 2.7Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.42Å
319H88Confident88.5Confident119 Ų11953 Ų5355%0.55127%0.268SS*.Hα-helixtrans-66.6-41.8174.3-68.493.2000111.9P315 D316 A322 H323P315-H319 PolarHBondContact O-N 3.47Å; P315-H319 VanDerWaalsContact O-N 3.07Å; P315-H319 PolarHBondContact O-ND1 3.49Å; D316-H319 PolarHBondContact O-N 3.43Å; H319-A322 PolarHBondContact O-N 2.9Å; H319-H323 PolarHBondContact O-N 3.38Å
320H90.9Very high88.4Confident95 Ų9558.2 Ų58.244%0.4429%0.292SS..Hα-helixtrans-60.6-45.6174.1-174.4-160.5000111.6D316 H317 A322 H323 L324D316-H320 PolarHBondContact O-N 2.81Å; H317-H320 PolarHBondContact O-N 2.96Å; H320-A322 PolarHBondContact O-N 2.81Å; H320-H323 WeakPolarHBondContact O-CB 3.49Å; H320-H323 PolarHBondContact O-N 2.9Å; H320-L324 WeakPolarHBondContact O-CG 3.35Å; H320-L324 PolarHBondContact O-N 2.76Å
321A90.3Very high88Confident0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-62.7-38.1175.300000113.2I287 A291 V293 V311 H317 C318 H323 L324 I325I287-A321 HydrophobicContact CG2-CB 4.46Å; A291-A321 HydrophobicContact CB-CB 3.75Å; V293-A321 HydrophobicContact CG1-CB 4.46Å; V293-A321 HydrophobicContact CG2-CB 3.58Å; V311-A321 HydrophobicContact CG1-CB 3.93Å; H317-A321 WeakPolarHBondContact O-CB 3.36Å; H317-A321 PolarHBondContact O-N 3.27Å; C318-A321 PolarHBondContact O-N 2.7Å; A321-H323 VanDerWaalsContact C-N 3.35Å; A321-L324 PolarHBondContact O-N 3.48Å; A321-I325 VanDerWaalsContact O-CG1 3.26Å; A321-I325 WeakPolarHBondContact O-CG1 3.15Å; A321-I325 PolarHBondContact O-N 3.15Å
322A90.7Very high87.2Confident12 Ų1259.8 Ų59.810%0.09931%0.305CS..Hα-helixtrans-64.3-38.5173.900000112L264 V266 C318 H319 H320 I325 N326L264-A322 HydrophobicContact CD2-CB 3.82Å; V266-A322 HydrophobicContact CG2-CB 3.68Å; C318-A322 WeakPolarHBondContact O-CB 3.49Å; C318-A322 PolarHBondContact O-N 3.42Å; H319-A322 PolarHBondContact O-N 2.9Å; H320-A322 PolarHBondContact O-N 2.81Å; A322-I325 PolarHBondContact O-N 3.42Å; A322-N326 WeakPolarHBondContact O-CB 3.23Å; A322-N326 VanDerWaalsContact O-CG 3.29Å; A322-N326 PolarHBondContact O-N 3.39Å
323H91.3Very high86.4Confident117 Ų11762.4 Ų62.454%0.54232%0.317SS..Hα-helixtrans-63.3-44.2172.8-166.7-52.3000111.7H319 H320 A321 I325 N326 E327H319-H323 PolarHBondContact O-N 3.38Å; H320-H323 WeakPolarHBondContact O-CB 3.49Å; H320-H323 PolarHBondContact O-N 2.9Å; A321-H323 VanDerWaalsContact C-N 3.35Å; H323-I325 VanDerWaalsContact C-N 3.31Å; H323-I325 PolarHBondContact O-N 3.38Å; H323-N326 PolarHBondContact O-N 3.02Å; H323-E327 IonicContact CE1-OE1 3.94Å; H323-E327 WeakPolarHBondContact ND1-CG 3.2Å; H323-E327 WeakPolarHBondContact O-CB 3.22Å; H323-E327 VanDerWaalsContact O-CG 3.31Å; H323-E327 WeakPolarHBondContact O-CG 3.45Å; H323-E327 PolarHBondContact O-N 2.86Å
324L90.4Very high85.3Confident44 Ų4468.1 Ų68.123%0.2334%0.34CS..Hα-helixtrans-64.2-34.5176.2-67.2173.6000112.5I287 H320 A321 L328I287-L324 HydrophobicContact CG2-CB 4.11Å; I287-L324 HydrophobicContact CG2-CD1 4.23Å; H320-L324 WeakPolarHBondContact O-CG 3.35Å; H320-L324 PolarHBondContact O-N 2.76Å; A321-L324 PolarHBondContact O-N 3.48Å; L324-L328 WeakPolarHBondContact O-CD1 3.35Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.21Å
325I91Very high83.9Confident0 Ų072.5 Ų72.50%035%0.351CS..Hα-helixtrans-65-49.8171.9-71.8163.6000110.1V266 V268 I276 I295 V311 A321 A322 H323 L328 V329V266-I325 HydrophobicContact CG1-CG2 3.99Å; V268-I325 HydrophobicContact CG2-CG2 3.77Å; I276-I325 HydrophobicContact CD1-CG2 4.06Å; I276-I325 HydrophobicContact CG2-CG1 4.31Å; I295-I325 HydrophobicContact CD1-CD1 4.22Å; V311-I325 HydrophobicContact CG2-CD1 4.04Å; A321-I325 VanDerWaalsContact O-CG1 3.26Å; A321-I325 WeakPolarHBondContact O-CG1 3.15Å; A321-I325 PolarHBondContact O-N 3.15Å; A322-I325 PolarHBondContact O-N 3.42Å; H323-I325 VanDerWaalsContact C-N 3.31Å; H323-I325 PolarHBondContact O-N 3.38Å; I325-L328 PolarHBondContact O-N 2.98Å; I325-L328 VanDerWaalsContact O-N 3.13Å; I325-V329 HydrophobicContact CG2-CG2 4.45Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.14Å
326N90.1Very high82.3Confident84 Ų8475.3 Ų75.345%0.44936%0.364SS..Hα-helixtrans-65.6-39.8-177.4-71.2-5.5000112.6A322 H323 L328 V329 Q330A322-N326 WeakPolarHBondContact O-CB 3.23Å; A322-N326 VanDerWaalsContact O-CG 3.29Å; A322-N326 PolarHBondContact O-N 3.39Å; H323-N326 PolarHBondContact O-N 3.02Å; N326-L328 VanDerWaalsContact C-N 3.26Å; N326-L328 PolarHBondContact O-N 2.89Å; N326-V329 WeakPolarHBondContact O-CB 3.45Å; N326-V329 PolarHBondContact O-N 2.95Å; N326-V329 VanDerWaalsContact O-N 3.16Å; N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.92Å
327E88.8Confident80.3Confident101 Ų10172.3 Ų72.347%0.47236%0.36SS..Hα-helixtrans-54.6-42.2170.5-79.3-86.6108.300111.8H323 Q330 T331H323-E327 IonicContact CE1-OE1 3.94Å; H323-E327 WeakPolarHBondContact ND1-CG 3.2Å; H323-E327 WeakPolarHBondContact O-CB 3.22Å; H323-E327 VanDerWaalsContact O-CG 3.31Å; H323-E327 WeakPolarHBondContact O-CG 3.45Å; H323-E327 PolarHBondContact O-N 2.86Å; E327-Q330 PolarHBondContact O-N 3.26Å; E327-T331 VanDerWaalsContact O-CB 3.23Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.38Å; E327-T331 PolarHBondContact O-OG1 3.47Å
328L87.1Confident77.6Confident40 Ų4076.1 Ų76.121%0.20938%0.376CS..Hα-helixtrans-74.3-32.4177.4-70.9169.9000112.9I276 M283 I287 L324 I325 N326 A332I276-L328 HydrophobicContact CG1-CB 4.05Å; M283-L328 HydrophobicContact CG-CD1 4.13Å; M283-L328 HydrophobicContact SD-CD1 3.86Å; M283-L328 HydrophobicContact SD-CD2 3.96Å; I287-L328 HydrophobicContact CD1-CD1 3.57Å; I287-L328 HydrophobicContact CG1-CD1 4.31Å; L324-L328 WeakPolarHBondContact O-CD1 3.35Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 3.21Å; I325-L328 PolarHBondContact O-N 2.98Å; I325-L328 VanDerWaalsContact O-N 3.13Å; N326-L328 VanDerWaalsContact C-N 3.26Å; N326-L328 PolarHBondContact O-N 2.89Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.5Å; L328-A332 PolarHBondContact O-N 2.99Å
329V87.7Confident75.3Confident15 Ų1579.2 Ų79.29%0.09141%0.408CS..Hα-helixtrans-63.1-48.1169.3176.60000110.1V268 P269 A272 I276 I325 N326 A332 Q333V268-V329 HydrophobicContact CG1-CG2 4.12Å; P269-V329 HydrophobicContact CG-CG1 3.97Å; A272-V329 HydrophobicContact CB-CB 4.27Å; A272-V329 HydrophobicContact CB-CG1 4.2Å; A272-V329 HydrophobicContact CB-CG2 3.89Å; I276-V329 HydrophobicContact CD1-CG2 3.74Å; I325-V329 HydrophobicContact CG2-CG2 4.45Å; I325-V329 WeakPolarHBondContact O-CG2 3.29Å; I325-V329 PolarHBondContact O-N 3.14Å; N326-V329 WeakPolarHBondContact O-CB 3.45Å; N326-V329 PolarHBondContact O-N 2.95Å; N326-V329 VanDerWaalsContact O-N 3.16Å; V329-A332 WeakPolarHBondContact O-CB 3.43Å; V329-A332 PolarHBondContact O-N 3.48Å; V329-Q333 WeakPolarHBondContact O-CB 3.5Å; V329-Q333 PolarHBondContact O-N 3.13Å
330Q85.6Confident72.9Confident110 Ų11080.3 Ų80.351%0.51442%0.416SS..Hα-helixtrans-66.9-45.5-178.7-176.3167.8-12.900111.5N326 E327 A332 Q333 E334N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.92Å; E327-Q330 PolarHBondContact O-N 3.26Å; Q330-A332 PolarHBondContact O-N 2.76Å; Q330-Q333 PolarHBondContact O-N 3.49Å; Q330-Q333 VanDerWaalsContact O-N 3.1Å; Q330-E334 HydrophobicContact CG-CG 4.45Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.3Å; Q330-E334 PolarHBondContact NE2-OE1 3.4Å; Q330-E334 WeakPolarHBondContact O-CG 3.18Å; Q330-E334 PolarHBondContact O-N 3.09Å
331T80.3Confident70.2Confident77 Ų7784.2 Ų84.247%0.47244%0.437SS..Hα-helixtrans-60.2-30.5173.6-57.60000112.4E327E327-T331 VanDerWaalsContact O-CB 3.23Å; E327-T331 WeakPolarHBondContact O-CB 3.47Å; E327-T331 PolarHBondContact O-N 3.38Å; E327-T331 PolarHBondContact O-OG1 3.47Å
332A74.7Confident67.6Low3 Ų387.7 Ų87.73%0.02547%0.473CS..Hα-helixtrans-74-45.9171.700000111.9F271 A272 I275 L328 V329 Q330 E334 R335 D336F271-A332 HydrophobicContact CE2-CB 4.29Å; A272-A332 HydrophobicContact CB-CB 4.45Å; I275-A332 HydrophobicContact CD1-CB 3.46Å; I275-A332 VanDerWaalsContact CD1-CB 3.46Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.5Å; L328-A332 PolarHBondContact O-N 2.99Å; V329-A332 WeakPolarHBondContact O-CB 3.43Å; V329-A332 PolarHBondContact O-N 3.48Å; Q330-A332 PolarHBondContact O-N 2.76Å; A332-E334 PolarHBondContact O-N 3.49Å; A332-R335 CarbonylContact O-C 3.28Å; A332-R335 WeakPolarHBondContact O-CA 3.36Å; A332-R335 WeakPolarHBondContact O-CB 3.41Å; A332-R335 PolarHBondContact O-N 2.96Å; A332-D336 PolarHBondContact O-N 3.19Å
333Q71.1Confident65.2Low113 Ų11397 Ų9753%0.52851%0.505SS..Hα-helixtrans-67.3-33.8-177.9-172.1167.4-30.200112.9F271 V329 Q330 R335 G337F271-Q333 HydrophobicContact CE2-CB 4.12Å; F271-Q333 HydrophobicContact CZ-CB 4.05Å; F271-Q333 HydrophobicContact CZ-CG 4.24Å; V329-Q333 WeakPolarHBondContact O-CB 3.5Å; V329-Q333 PolarHBondContact O-N 3.13Å; Q330-Q333 PolarHBondContact O-N 3.49Å; Q330-Q333 VanDerWaalsContact O-N 3.1Å; Q333-R335 PolarHBondContact O-N 2.98Å; Q333-G337 WeakPolarHBondContact O-CA 2.89Å; Q333-G337 PolarHBondContact O-N 2.99Å
334E63.2Low62.7Low135 Ų135102.3 Ų102.363%0.63152%0.521SS*.Hα-helixtrans-69.6-17.4169.8-70176.6-162.700112.5Q330 A332Q330-E334 HydrophobicContact CG-CG 4.45Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.3Å; Q330-E334 PolarHBondContact NE2-OE1 3.4Å; Q330-E334 WeakPolarHBondContact O-CG 3.18Å; Q330-E334 PolarHBondContact O-N 3.09Å; A332-E334 PolarHBondContact O-N 3.49Å
335R57.1Low60Low207 Ų207103.9 Ų103.978%0.78155%0.548SS*.Hα-helixtrans-89.2-41.2175.8-123175.2169.6175.8-3.2113.4A332 Q333A332-R335 CarbonylContact O-C 3.28Å; A332-R335 WeakPolarHBondContact O-CA 3.36Å; A332-R335 WeakPolarHBondContact O-CB 3.41Å; A332-R335 PolarHBondContact O-N 2.96Å; Q333-R335 PolarHBondContact O-N 2.98Å
336D47.7Very low57.4Low113 Ų113115 Ų11560%0.60459%0.589SS**Hα-helixtrans-74-19.1170.2-76.7-62.3000111.7A332 F338A332-D336 PolarHBondContact O-N 3.19Å; D336-F338 PolarHBondContact O-N 2.76Å; D336-F338 VanDerWaalsContact O-N 3.15Å
337G41.5Very low55.1Low53 Ų53115.6 Ų115.655%0.54660%0.6SS.*THydrogen-bonded Turntrans-67.4-3.2177.700000116.4Q333Q333-G337 WeakPolarHBondContact O-CA 2.89Å; Q333-G337 PolarHBondContact O-N 2.99Å
338F34.9Very low52.8Low159 Ų159117.9 Ų117.970%0.69762%0.616SS**  trans-153.3103.2166.4-128-79.8000114.3D336 I340D336-F338 PolarHBondContact O-N 2.76Å; D336-F338 VanDerWaalsContact O-N 3.15Å; F338-I340 WeakPolarHBondContact CD1-O 3.42Å; F338-I340 WeakPolarHBondContact CE1-O 3.45Å; F338-I340 PolarHBondContact O-N 3.46Å
339G39.6Very low50.2Low66 Ų66122 Ų12268%0.6865%0.646SS**SBendtrans-69.4118.7154.900000110.3
340I36.7Very low48.4Very low142 Ų142128.9 Ų128.973%0.72868%0.683SS**SBendtrans76.9117170.3-51.8-62000117.5F338F338-I340 WeakPolarHBondContact CD1-O 3.42Å; F338-I340 WeakPolarHBondContact CE1-O 3.45Å; F338-I340 PolarHBondContact O-N 3.46Å
341M35.4Very low46.3Very low178 Ų178132.2 Ų132.288%0.87770%0.701SS**  trans68.7121.9151-170.7-175.4-65.200120
342G34.1Very low44.3Very low73 Ų73132.4 Ų132.475%0.75372%0.717SS**  trans168.879.9164.500000118.6
343R40.7Very low42.5Very low207 Ų207135.9 Ų135.978%0.78175%0.754SS**  trans-30.9141.1172.4-77.3-152.4-158.5-87.28.1119.4
344R39.8Very low41Very low229 Ų229135.3 Ų135.386%0.86477%0.768SS**  trans65.3140.9151-59.9161.2178.7171.1-3115.4
345G33.2Very low40.3Very low77 Ų77132.7 Ų132.779%0.79478%0.777SS**  cis-174.4-179.5-2.300000106.9
346R37.3Very low40.1Very low232 Ų232125 Ų12588%0.87576%0.762SS**  cis-173.6123.521.5158.8-159.7179.5-171.91.5106.8
347S41.5Very low41Very low97 Ų97125.4 Ų125.468%0.67876%0.764SS**  trans65.3155.1165.7-61.30000115.9
348D40.4Very low42.8Very low149 Ų149127.6 Ų127.680%0.79776%0.76SS**  cis-139.8137.3-0.9-84.4-58.5000110.8
349C32.8Very low45Very low127 Ų127124.5 Ų124.586%0.85875%0.748SS**  trans-156.875157.454.60000112.3M351C349-M351 PolarHBondContact O-N 3.19Å
350N49.8Very low47.1Very low160 Ų160124 Ų12486%0.85673%0.732SS**  trans-7098.2169.8173.480.8000111
351M39.7Very low49.4Very low180 Ų180121.7 Ų121.789%0.88772%0.724SS**  trans-141.4113.3163-101-67.3-17900109.1C349C349-M351 PolarHBondContact O-N 3.19Å
352G39.9Very low51.7Low80 Ų80114.2 Ų114.283%0.82569%0.686SS**  trans-80.6139.8-176.700000112.9
353G36.1Very low54.1Low77 Ų77113.7 Ų113.779%0.79468%0.675SS**  trans-161.793.9-178.300000114.3
354A39.7Very low56.3Low100 Ų100103.9 Ų103.983%0.82664%0.638SS**  trans18.4101.7159.900000119.9G356A354-G356 VanDerWaalsContact C-N 3.27Å; A354-G356 PolarHBondContact O-N 2.99Å
355G49Very low58.5Low80 Ų8095.6 Ų95.683%0.82561%0.614SS**  63.3-2.3118.400000121.8L357G355-L357 PolarHBondContact O-N 3.23Å
356G52.6Low60.7Low45 Ų4593.8 Ų93.846%0.46459%0.591SS.*  trans-63.4131.5-176.300000113.6A354 Q358A354-G356 VanDerWaalsContact C-N 3.27Å; A354-G356 PolarHBondContact O-N 2.99Å; G356-Q358 PolarHBondContact O-N 2.91Å
357L66.9Low62.9Low122 Ų12288.5 Ų88.564%0.63958%0.581SS**  trans-69.6108.9163.8-66.5176.3000108.2G355 T413G355-L357 PolarHBondContact O-N 3.23Å; L357-T413 HydrophobicContact CD2-CG2 4.23Å
358Q78.6Confident64.9Low100 Ų10087.4 Ų87.447%0.46756%0.563SS.*EExtended strand (participates in β ladder)trans-83.5146.2177-60.8178.731.700109.2G356 R411 G412G356-Q358 PolarHBondContact O-N 2.91Å; Q358-R411 CarbonylContact O-C 3.55Å; Q358-R411 VanDerWaalsContact O-CA 3.26Å; Q358-R411 WeakPolarHBondContact O-CA 3.44Å; Q358-G412 PolarHBondContact N-O 3.44Å; Q358-G412 PolarHBondContact O-N 3.45Å; Q358-G412 VanDerWaalsContact O-O 3.12Å
359E81.9Confident67Low93 Ų9380.7 Ų80.744%0.43553%0.528SS..EExtended strand (participates in β ladder)trans-119.5126.5170.3-174.3167.3175.300108.6S409 I410 R411E359-S409 VanDerWaalsContact CD-OG 3.26Å; E359-S409 VanDerWaalsContact CG-OG 3.23Å; E359-S409 WeakPolarHBondContact CG-OG 3.48Å; E359-S409 PolarHBondContact OE1-OG 3.46Å; E359-I410 WeakPolarHBondContact CA-O 3.48Å; E359-R411 HydrophobicContact CB-CB 4.32Å; E359-R411 HydrophobicContact CB-CG 4.11Å; E359-R411 HydrophobicContact CG-CB 4.27Å; E359-R411 IonicContact OE1-NH2 2.65Å; E359-R411 IonicContact OE2-CZ 3.99Å; E359-R411 IonicContact OE2-NE 2.69Å; E359-R411 PolarHBondContact OE2-NE 3.25Å; E359-R411 IonicContact OE2-NH2 3.09Å; E359-R411 PolarHBondContact OE2-NH2 2.87Å
360V82.5Confident69.4Low57 Ų5777.1 Ų77.135%0.34551%0.513SS..EExtended strand (participates in β ladder)trans-132.2132.6-177.1168.40000110.3I410 L417V360-I410 PolarHBondContact N-O 2.82Å; V360-I410 PolarHBondContact O-N 3.41Å; V360-L417 HydrophobicContact CB-CD1 3.88Å; V360-L417 HydrophobicContact CB-CD2 3.81Å; V360-L417 HydrophobicContact CG1-CD1 4.3Å; V360-L417 HydrophobicContact CG1-CD2 4.42Å; V360-L417 HydrophobicContact CG2-CD2 3.51Å
361T84.7Confident71.1Confident92 Ų9274.4 Ų74.456%0.56450%0.497SS*.EExtended strand (participates in β ladder)trans-80.1121.6176.6-49.10000109.5I407T361-I407 HydrophobicContact CG2-CG2 3.28Å
362Y85.1Confident73.3Confident21 Ų2165.8 Ų65.88%0.08246%0.455CS..EExtended strand (participates in β ladder)trans-119.5119.4178.5-177.2-90.2000110V364 F408 I410 R421 I424 D425 I428Y362-V364 HydrophobicContact CD1-CG2 3.64Å; Y362-V364 HydrophobicContact CE1-CG2 3.42Å; Y362-V364 VanDerWaalsContact CE1-CG2 3.42Å; Y362-F408 PolarHBondContact N-O 3.09Å; Y362-F408 PolarHBondContact O-N 3.16Å; Y362-I410 HydrophobicContact CG-CD1 4.27Å; Y362-R421 HydrophobicContact CD2-CG 4.23Å; Y362-R421 HydrophobicContact CE2-CG 3.85Å; Y362-I424 HydrophobicContact CD1-CD1 4.5Å; Y362-I424 HydrophobicContact CD1-CG2 3.98Å; Y362-I424 HydrophobicContact CE1-CB 4.14Å; Y362-I424 HydrophobicContact CE1-CG2 3.29Å; Y362-D425 PolarHBondContact OH-OD1 3.13Å; Y362-D425 PolarHBondContact OH-OD2 3.1Å; Y362-I428 HydrophobicContact CE1-CD1 3.96Å
363A84.9Confident75.5Confident63 Ų6364.2 Ų64.252%0.52143%0.427SS..EExtended strand (participates in β ladder)trans-95134.3-174.700000111.6V405A363-V405 HydrophobicContact CB-CG1 3.81Å
364V85.7Confident77.9Confident0 Ų061.4 Ų61.40%040%0.399CS..EExtended strand (participates in β ladder)trans-130.2133.9-177.6-178.80000109.7Y362 A366 K368 C369 V372 R406 F408 I424 I428Y362-V364 HydrophobicContact CD1-CG2 3.64Å; Y362-V364 HydrophobicContact CE1-CG2 3.42Å; Y362-V364 VanDerWaalsContact CE1-CG2 3.42Å; V364-A366 PolarHBondContact O-N 2.92Å; V364-K368 HydrophobicContact CG1-CB 4.09Å; V364-C369 HydrophobicContact CG1-CB 4.42Å; V364-V372 HydrophobicContact CG1-CG2 4.14Å; V364-R406 PolarHBondContact N-O 2.97Å; V364-R406 PolarHBondContact O-N 3.47Å; V364-F408 HydrophobicContact CB-CD2 4.2Å; V364-F408 HydrophobicContact CB-CE2 3.86Å; V364-F408 HydrophobicContact CG1-CE2 4.44Å; V364-F408 HydrophobicContact CG2-CD2 3.62Å; V364-F408 HydrophobicContact CG2-CE2 3.62Å; V364-I424 HydrophobicContact CG2-CG2 4.37Å; V364-I428 HydrophobicContact CB-CD1 4.26Å; V364-I428 HydrophobicContact CG1-CD1 3.65Å; V364-I428 HydrophobicContact CG1-CG1 4.16Å; V364-I428 HydrophobicContact CG2-CD1 3.69Å
365P86.5Confident80.1Confident56 Ų5665.9 Ų65.936%0.36440%0.399SS..EExtended strand (participates in β ladder)trans-54.2137.1171.1-26.736.1000111.9D367 K368 C369P365-D367 WeakPolarHBondContact CB-OD1 3.3Å; P365-D367 PolarHBondContact O-N 3.33Å; P365-K368 HydrophobicContact CB-CG 4.44Å; P365-K368 PolarHBondContact O-N 3.12Å; P365-C369 PolarHBondContact O-N 3.2Å
366A79.5Confident81.7Confident38 Ų3865.7 Ų65.731%0.31440%0.397SS..Hα-helixtrans-60.7-32.2-171.500000113.1V364 C369 N404 R406V364-A366 PolarHBondContact O-N 2.92Å; A366-C369 WeakPolarHBondContact O-CB 3.46Å; A366-N404 WeakPolarHBondContact CB-O 3.4Å; A366-N404 PolarHBondContact N-O 3.07Å; A366-R406 HydrophobicContact CB-CG 4.01Å
367D84.2Confident83.3Confident122 Ų12264.2 Ų64.265%0.65238%0.382SS*.Hα-helixtrans-61.8-37.2170.956-61.5000113.1P365P365-D367 WeakPolarHBondContact CB-OD1 3.3Å; P365-D367 PolarHBondContact O-N 3.33Å
368K83.4Confident84.4Confident73 Ų7365 Ų6532%0.31738%0.382SS..Hα-helixtrans-89.4-17.6179.1-59.4-166.3173.5-168.60114V364 P365 G370 L371 V372 I428V364-K368 HydrophobicContact CG1-CB 4.09Å; P365-K368 HydrophobicContact CB-CG 4.44Å; P365-K368 PolarHBondContact O-N 3.12Å; K368-G370 PolarHBondContact O-N 2.8Å; K368-G370 VanDerWaalsContact O-N 3.16Å; K368-L371 WeakPolarHBondContact O-CB 3.46Å; K368-L371 PolarHBondContact O-N 2.85Å; K368-V372 PolarHBondContact O-N 3.45Å; K368-I428 HydrophobicContact CB-CG1 4.37Å; K368-I428 HydrophobicContact CD-CB 4.4Å; K368-I428 HydrophobicContact CD-CG2 3.73Å; K368-I428 PolarHBondContact NZ-O 3.24Å
369C83.2Confident84.9Confident9 Ų961.8 Ų61.86%0.06137%0.369CS..Hα-helixtrans-52.7-37.1178.1-176.10000112.8V364 P365 A366 L371 V372 I373 R406V364-C369 HydrophobicContact CG1-CB 4.42Å; P365-C369 PolarHBondContact O-N 3.2Å; A366-C369 WeakPolarHBondContact O-CB 3.46Å; C369-L371 VanDerWaalsContact C-N 3.29Å; C369-L371 PolarHBondContact O-N 3.07Å; C369-V372 PolarHBondContact O-N 3.02Å; C369-I373 WeakPolarHBondContact O-CG1 3.23Å; C369-I373 PolarHBondContact O-N 2.89Å; C369-I373 VanDerWaalsContact SG-CD1 3.59Å; C369-R406 HydrophobicContact CB-CB 3.91Å; C369-R406 HydrophobicContact CB-CG 3.88Å
370G83.3Confident85.3Confident51 Ų5158.2 Ų58.253%0.52635%0.353SS..Hα-helixtrans-61.8-31.2175.900000114.5K368 G374K368-G370 PolarHBondContact O-N 2.8Å; K368-G370 VanDerWaalsContact O-N 3.16Å; G370-G374 WeakPolarHBondContact O-CA 3.15Å; G370-G374 PolarHBondContact O-N 2.86Å
371L85.9Confident85.6Confident103 Ų10361.9 Ų61.954%0.53936%0.364SS..Hα-helixtrans-74.8-33177.2-57.3174.8000112.1K368 C369K368-L371 WeakPolarHBondContact O-CB 3.46Å; K368-L371 PolarHBondContact O-N 2.85Å; C369-L371 VanDerWaalsContact C-N 3.29Å; C369-L371 PolarHBondContact O-N 3.07Å
372V85.4Confident86Confident0 Ų060 Ų600%035%0.351CS..Hα-helixtrans-73.7-40.7177.4-1790000111.2V364 K368 C369 I380 I383 F408 I424 I428V364-V372 HydrophobicContact CG1-CG2 4.14Å; K368-V372 PolarHBondContact O-N 3.45Å; C369-V372 PolarHBondContact O-N 3.02Å; V372-I380 PolarHBondContact O-N 3.3Å; V372-I383 HydrophobicContact CG1-CD1 4.15Å; V372-F408 HydrophobicContact CB-CZ 4.17Å; V372-F408 HydrophobicContact CG1-CE1 4.21Å; V372-F408 HydrophobicContact CG1-CE2 4.31Å; V372-F408 HydrophobicContact CG1-CZ 3.9Å; V372-I424 HydrophobicContact CB-CG2 4.47Å; V372-I424 HydrophobicContact CG1-CB 4.46Å; V372-I424 HydrophobicContact CG1-CG1 4.07Å; V372-I424 HydrophobicContact CG1-CG2 3.76Å; V372-I424 HydrophobicContact CG2-CG2 3.81Å; V372-I428 HydrophobicContact CG2-CD1 3.91Å; V372-I428 HydrophobicContact CG2-CG1 3.69Å
373I87.3Confident86.2Confident47 Ų4759.1 Ų59.124%0.24135%0.348CS..Hα-helixtrans-74.2-46.5178.3-63.7171.8000110.7C369 G377 T379 I380 L393 F408C369-I373 WeakPolarHBondContact O-CG1 3.23Å; C369-I373 PolarHBondContact O-N 2.89Å; C369-I373 VanDerWaalsContact SG-CD1 3.59Å; I373-G377 CarbonylContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-CA 3.28Å; I373-G377 WeakPolarHBondContact O-CA 3.28Å; I373-T379 PolarHBondContact O-N 3.49Å; I373-I380 HydrophobicContact CG2-CG2 4.21Å; I373-I380 PolarHBondContact O-N 2.64Å; I373-I380 VanDerWaalsContact O-N 3.1Å; I373-L393 HydrophobicContact CD1-CD2 4.04Å; I373-F408 HydrophobicContact CD1-CZ 4.35Å; I373-F408 HydrophobicContact CG1-CE1 4.1Å; I373-F408 HydrophobicContact CG1-CZ 4.04Å
374G85.4Confident86.4Confident18 Ų1859.4 Ų59.419%0.18634%0.337CS..  trans75.2167.9-174.300000113.7G370 G376 G377 T379G370-G374 WeakPolarHBondContact O-CA 3.15Å; G370-G374 PolarHBondContact O-N 2.86Å; G374-G376 PolarHBondContact O-N 2.83Å; G374-G377 PolarHBondContact O-N 3.1Å; G374-G377 VanDerWaalsContact O-N 3.15Å; G374-T379 WeakPolarHBondContact CA-OG1 3.38Å
375K86.4Confident86.7Confident194 Ų19466.1 Ų66.184%0.84337%0.368SS*.G310 helixtrans-59.1131.2175.2-63.6179.1-178.3177.50109.1G377 E378K375-G377 PolarHBondContact O-N 3.3Å; K375-E378 WeakPolarHBondContact O-CB 3.36Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-E378 VanDerWaalsContact O-N 3.07Å
376G83Confident87Confident75 Ų7567.1 Ų67.177%0.77337%0.368SS*.G310 helixtrans59.815.4-178.500000116G374 E378 K381G374-G376 PolarHBondContact O-N 2.83Å; G376-E378 VanDerWaalsContact C-N 3.28Å; G376-E378 PolarHBondContact O-N 3.01Å; G376-K381 PolarHBondContact O-NZ 3Å
377G86.5Confident87.4Confident14 Ų1465.6 Ų65.614%0.14436%0.355CS..G310 helixtrans70.419.4-173.800000114.3I373 G374 K375 I380 K381I373-G377 CarbonylContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-C 3.3Å; I373-G377 VanDerWaalsContact O-CA 3.28Å; I373-G377 WeakPolarHBondContact O-CA 3.28Å; G374-G377 PolarHBondContact O-N 3.1Å; G374-G377 VanDerWaalsContact O-N 3.15Å; K375-G377 PolarHBondContact O-N 3.3Å; G377-I380 VanDerWaalsContact O-CG2 3.27Å; G377-I380 WeakPolarHBondContact O-CG2 3.41Å; G377-K381 WeakPolarHBondContact O-CD 3.23Å; G377-K381 VanDerWaalsContact O-CG 3.24Å; G377-K381 WeakPolarHBondContact O-CG 3.35Å; G377-K381 PolarHBondContact O-N 3.32Å; G377-K381 VanDerWaalsContact O-N 3.13Å
378E88.8Confident87.7Confident139 Ų13969.4 Ų69.465%0.6536%0.36SS*.Hα-helixtrans-63.7-45.6-178.7-172.9178.7-178.700112.4K375 G376 I380 K381 N382K375-E378 WeakPolarHBondContact O-CB 3.36Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-E378 VanDerWaalsContact O-N 3.07Å; G376-E378 VanDerWaalsContact C-N 3.28Å; G376-E378 PolarHBondContact O-N 3.01Å; E378-I380 PolarHBondContact O-N 3.07Å; E378-K381 WeakPolarHBondContact O-CB 3.36Å; E378-K381 PolarHBondContact O-N 2.89Å; E378-N382 PolarHBondContact O-N 2.83Å
379T89.1Confident87.9Confident32 Ų3266.2 Ų66.220%0.19635%0.348CS..Hα-helixtrans-65.6-42.7-177.9-49.60000111.4I373 G374 K381 N382 I383 R427I373-T379 PolarHBondContact O-N 3.49Å; G374-T379 WeakPolarHBondContact CA-OG1 3.38Å; T379-K381 VanDerWaalsContact C-N 3.34Å; T379-K381 PolarHBondContact O-N 2.88Å; T379-N382 PolarHBondContact O-N 3.25Å; T379-I383 HydrophobicContact CG2-CD1 4.07Å; T379-I383 VanDerWaalsContact O-CG1 3.24Å; T379-I383 WeakPolarHBondContact O-CG1 3.49Å; T379-I383 PolarHBondContact O-N 3.07Å; T379-R427 HydrophobicContact CG2-CG 3.96Å
380I90.2Very high88Confident19 Ų1970.7 Ų70.710%0.09737%0.367CS..Hα-helixtrans-69-27.1174.9-172.2168.9000113.4V372 I373 G377 E378 K384 V391 F408V372-I380 PolarHBondContact O-N 3.3Å; I373-I380 HydrophobicContact CG2-CG2 4.21Å; I373-I380 PolarHBondContact O-N 2.64Å; I373-I380 VanDerWaalsContact O-N 3.1Å; G377-I380 VanDerWaalsContact O-CG2 3.27Å; G377-I380 WeakPolarHBondContact O-CG2 3.41Å; E378-I380 PolarHBondContact O-N 3.07Å; I380-K384 WeakPolarHBondContact O-CE 3.48Å; I380-K384 WeakPolarHBondContact O-CG 3.37Å; I380-K384 PolarHBondContact O-N 2.84Å; I380-K384 VanDerWaalsContact O-N 3.17Å; I380-V391 HydrophobicContact CD1-CG1 4.08Å; I380-V391 HydrophobicContact CG1-CB 4.47Å; I380-V391 HydrophobicContact CG1-CG1 4.25Å; I380-F408 HydrophobicContact CD1-CD1 4.19Å; I380-F408 HydrophobicContact CD1-CE1 3.93Å
381K90Very high88.3Confident134 Ų13468.2 Ų68.258%0.58334%0.342SS*.Hα-helixtrans-65.4-49.4168.9-74161.8-177.1162.80110.4G376 G377 E378 T379 I383 K384 E385G376-K381 PolarHBondContact O-NZ 3Å; G377-K381 WeakPolarHBondContact O-CD 3.23Å; G377-K381 VanDerWaalsContact O-CG 3.24Å; G377-K381 WeakPolarHBondContact O-CG 3.35Å; G377-K381 PolarHBondContact O-N 3.32Å; G377-K381 VanDerWaalsContact O-N 3.13Å; E378-K381 WeakPolarHBondContact O-CB 3.36Å; E378-K381 PolarHBondContact O-N 2.89Å; T379-K381 VanDerWaalsContact C-N 3.34Å; T379-K381 PolarHBondContact O-N 2.88Å; K381-I383 PolarHBondContact O-N 2.86Å; K381-K384 WeakPolarHBondContact O-CB 3.26Å; K381-K384 PolarHBondContact O-N 3.08Å; K381-E385 WeakPolarHBondContact O-CB 3.34Å; K381-E385 PolarHBondContact O-N 2.95Å
382N91.4Very high88.2Confident53 Ų5368.5 Ų68.528%0.28334%0.341SS..Hα-helixtrans-64.6-37179.4-174.3-107.9000112.7E378 T379 E385 Q386E378-N382 PolarHBondContact O-N 2.83Å; T379-N382 PolarHBondContact O-N 3.25Å; N382-E385 PolarHBondContact O-N 2.94Å; N382-Q386 WeakPolarHBondContact O-CB 3.46Å; N382-Q386 WeakPolarHBondContact O-CG 3.41Å; N382-Q386 PolarHBondContact O-N 3.28Å; N382-Q386 PolarHBondContact OD1-NE2 3.29Å
383I90.1Very high88.2Confident2 Ų270.6 Ų70.61%0.0135%0.352CS..Hα-helixtrans-59.7-46.4172.3-70.1165.5000110.7V372 T379 K381 S387 V391 L423 I424 R427V372-I383 HydrophobicContact CG1-CD1 4.15Å; T379-I383 HydrophobicContact CG2-CD1 4.07Å; T379-I383 VanDerWaalsContact O-CG1 3.24Å; T379-I383 WeakPolarHBondContact O-CG1 3.49Å; T379-I383 PolarHBondContact O-N 3.07Å; K381-I383 PolarHBondContact O-N 2.86Å; I383-S387 VanDerWaalsContact O-CB 3.24Å; I383-S387 WeakPolarHBondContact O-CB 3.48Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 2.81Å; I383-V391 HydrophobicContact CG2-CG2 4.23Å; I383-L423 HydrophobicContact CG1-CB 4.16Å; I383-L423 HydrophobicContact CG2-CB 4.27Å; I383-I424 HydrophobicContact CD1-CG1 4.02Å; I383-I424 HydrophobicContact CG2-CD1 4.33Å; I383-I424 HydrophobicContact CG2-CG1 3.91Å; I383-R427 HydrophobicContact CD1-CG 4.42Å
384K89.2Confident87.8Confident69 Ų6971.3 Ų71.330%0.335%0.354SS..Hα-helixtrans-61.9-46175.9-78.8-173.6-89.7-141.10112.6I380 K381 S387 R388 A389 V391I380-K384 WeakPolarHBondContact O-CE 3.48Å; I380-K384 WeakPolarHBondContact O-CG 3.37Å; I380-K384 PolarHBondContact O-N 2.84Å; I380-K384 VanDerWaalsContact O-N 3.17Å; K381-K384 WeakPolarHBondContact O-CB 3.26Å; K381-K384 PolarHBondContact O-N 3.08Å; K384-S387 PolarHBondContact O-OG 2.85Å; K384-R388 VanDerWaalsContact O-CA 3.24Å; K384-R388 WeakPolarHBondContact O-CA 3.4Å; K384-R388 PolarHBondContact O-N 2.8Å; K384-A389 WeakPolarHBondContact CG-O 3.21Å; K384-V391 HydrophobicContact CD-CB 4.29Å; K384-V391 WeakPolarHBondContact CD-O 3.35Å; K384-V391 WeakPolarHBondContact CE-O 3.24Å; K384-V391 HydrophobicContact CG-CB 3.74Å; K384-V391 HydrophobicContact CG-CG2 3.98Å; K384-V391 PolarHBondContact NZ-O 2.9Å
385E92.6Very high86.9Confident140 Ų14080.7 Ų80.765%0.65438%0.384SS*.Hα-helixtrans-61.4-50.7179.3179.3176.7-140.600112K381 N382 R388K381-E385 WeakPolarHBondContact O-CB 3.34Å; K381-E385 PolarHBondContact O-N 2.95Å; N382-E385 PolarHBondContact O-N 2.94Å; E385-R388 PolarHBondContact O-N 2.83Å
386Q91.3Very high85.6Confident78 Ų7878.8 Ų78.836%0.36438%0.383SS..Hα-helixtrans-67.2-40.5-179.3-74.3-15857.200113.2N382 K419 L423N382-Q386 WeakPolarHBondContact O-CB 3.46Å; N382-Q386 WeakPolarHBondContact O-CG 3.41Å; N382-Q386 PolarHBondContact O-N 3.28Å; N382-Q386 PolarHBondContact OD1-NE2 3.29Å; Q386-K419 WeakPolarHBondContact O-CD 3.37Å; Q386-K419 WeakPolarHBondContact O-CE 3.5Å; Q386-K419 PolarHBondContact O-NZ 2.67Å; Q386-L423 HydrophobicContact CB-CD1 3.52Å
387S89.9Confident84.5Confident5 Ų577.9 Ų77.94%0.03536%0.363CS..Hα-helixtrans-78.2-25.4179.361.90000113.5I383 K384 A389 Q416I383-S387 VanDerWaalsContact O-CB 3.24Å; I383-S387 WeakPolarHBondContact O-CB 3.48Å; I383-S387 PolarHBondContact O-N 3.31Å; I383-S387 PolarHBondContact O-OG 2.81Å; K384-S387 PolarHBondContact O-OG 2.85Å; S387-A389 PolarHBondContact O-N 3.21Å; S387-A389 WeakPolarHBondContact OG-CB 3.24Å; S387-A389 PolarHBondContact OG-N 2.94Å; S387-A389 VanDerWaalsContact OG-N 3.08Å; S387-Q416 WeakPolarHBondContact O-CB 3.4Å; S387-Q416 WeakPolarHBondContact O-CG 3.22Å
388R89Confident83.3Confident202 Ų20281 Ų8176%0.76238%0.381SS*.  trans56.517.7-163.1-58.2-180175.1172.9-3113.6K384 E385 Q416K384-R388 VanDerWaalsContact O-CA 3.24Å; K384-R388 WeakPolarHBondContact O-CA 3.4Å; K384-R388 PolarHBondContact O-N 2.8Å; E385-R388 PolarHBondContact O-N 2.83Å; R388-Q416 HydrophobicContact CB-CG 4.41Å; R388-Q416 PolarHBondContact O-NE2 2.9Å
389A87.2Confident81.9Confident6 Ų681.3 Ų81.35%0.0540%0.395CS..SBendtrans-91.4153.8172.300000111K384 S387 V391 I410 Q416 A420K384-A389 WeakPolarHBondContact CG-O 3.21Å; S387-A389 PolarHBondContact O-N 3.21Å; S387-A389 WeakPolarHBondContact OG-CB 3.24Å; S387-A389 PolarHBondContact OG-N 2.94Å; S387-A389 VanDerWaalsContact OG-N 3.08Å; A389-V391 HydrophobicContact CB-CG2 4.47Å; A389-V391 PolarHBondContact O-N 3.03Å; A389-I410 HydrophobicContact CB-CG2 3.92Å; A389-Q416 HydrophobicContact CB-CB 4.09Å; A389-A420 HydrophobicContact CB-CB 3.84Å
390H87.2Confident80.6Confident103 Ų10387.5 Ų87.548%0.47743%0.427SS..EExtended strand (participates in β ladder)trans-85.8105.9169.9-173.298000109.7I410 R411H390-I410 CarbonylContact O-C 3.59Å; H390-I410 WeakPolarHBondContact O-CA 3.48Å; H390-R411 HydrophobicContact CB-CB 4.35Å; H390-R411 PolarHBondContact N-O 2.97Å; H390-R411 PolarHBondContact O-N 2.77Å
391V87.9Confident79.3Confident0 Ų088.5 Ų88.50%043%0.434CS..EExtended strand (participates in β ladder)trans-107.2121.7177.7-172.60000110.8I380 I383 K384 A389 F408 S409 I410 A420 I424I380-V391 HydrophobicContact CD1-CG1 4.08Å; I380-V391 HydrophobicContact CG1-CB 4.47Å; I380-V391 HydrophobicContact CG1-CG1 4.25Å; I383-V391 HydrophobicContact CG2-CG2 4.23Å; K384-V391 HydrophobicContact CD-CB 4.29Å; K384-V391 WeakPolarHBondContact CD-O 3.35Å; K384-V391 WeakPolarHBondContact CE-O 3.24Å; K384-V391 HydrophobicContact CG-CB 3.74Å; K384-V391 HydrophobicContact CG-CG2 3.98Å; K384-V391 PolarHBondContact NZ-O 2.9Å; A389-V391 HydrophobicContact CB-CG2 4.47Å; A389-V391 PolarHBondContact O-N 3.03Å; V391-F408 HydrophobicContact CG1-CD1 4.22Å; V391-S409 WeakPolarHBondContact CA-O 3.22Å; V391-I410 HydrophobicContact CG1-CG1 4.28Å; V391-I410 HydrophobicContact CG2-CG1 4.27Å; V391-I410 HydrophobicContact CG2-CG2 4.21Å; V391-A420 HydrophobicContact CG2-CB 4.17Å; V391-I424 HydrophobicContact CG1-CD1 4.28Å
392E85.6Confident78.4Confident108 Ų10887.4 Ų87.451%0.50544%0.435SS..EExtended strand (participates in β ladder)trans-132.9142.3177.1178.8163.4-135.900111.7F408 S409E392-F408 CarbonylContact O-C 3.47Å; E392-F408 VanDerWaalsContact O-CA 3.22Å; E392-F408 WeakPolarHBondContact O-CA 3.24Å; E392-S409 PolarHBondContact N-O 2.96Å; E392-S409 PolarHBondContact O-N 2.94Å
393L85.1Confident77.3Confident45 Ų4590.1 Ų90.124%0.23646%0.455CS..EExtended strand (participates in β ladder)trans-80.1119170.817875.8000109.5I373 R395 R406 F408I373-L393 HydrophobicContact CD1-CD2 4.04Å; L393-R395 PolarHBondContact O-N 3.27Å; L393-R406 HydrophobicContact CD1-CB 4.1Å; L393-F408 HydrophobicContact CB-CD1 4.08Å; L393-F408 HydrophobicContact CB-CE1 3.92Å; L393-F408 HydrophobicContact CD1-CD1 4.16Å; L393-F408 HydrophobicContact CD1-CD2 4.38Å; L393-F408 HydrophobicContact CD1-CE1 3.8Å; L393-F408 HydrophobicContact CD1-CE2 4.04Å; L393-F408 HydrophobicContact CD1-CG 4.45Å; L393-F408 HydrophobicContact CD1-CZ 3.75Å; L393-F408 HydrophobicContact CG-CE1 4.46Å
394Q78.6Confident76.7Confident61 Ų6196 Ų9629%0.28549%0.486SS..  trans-67.8117.8173.9-67.8-173-9.800110.1I407Q394-I407 HydrophobicContact CB-CB 4.37Å; Q394-I407 HydrophobicContact CB-CG2 4.32Å; Q394-I407 HydrophobicContact CG-CG2 4.18Å; Q394-I407 PolarHBondContact N-O 3.15Å; Q394-I407 VanDerWaalsContact OE1-CG2 3.22Å
395R66.3Low76.4Confident215 Ų21594.9 Ų94.981%0.81149%0.485SS*.SBendtrans-82.4-30.6-178.7-60.8-173.4-175.7-160.91.3113.3L393 P397L393-R395 PolarHBondContact O-N 3.27Å; R395-P397 WeakPolarHBondContact O-CD 3.38Å
396N59.8Low76Confident155 Ų15593.5 Ų93.583%0.82947%0.474SS*.SBendtrans-111.291.3170.3-86.13.3000109.3
397P59.9Low75.6Confident55 Ų5590.7 Ų90.736%0.35746%0.462SS..  trans-69157.5162.832.3-35.2000110.4R395 T401 I407R395-P397 WeakPolarHBondContact O-CD 3.38Å; P397-T401 HydrophobicContact CB-CG2 3.99Å; P397-I407 HydrophobicContact CB-CD1 4.18Å
398P61.5Low75.5Confident79 Ų7990.5 Ų90.551%0.51346%0.46SS..  trans-64.3154.3175.626.8-33.3000111.5N400 T401P398-N400 PolarHBondContact O-N 2.82Å; P398-T401 WeakPolarHBondContact CD-OG1 3.37Å; P398-T401 WeakPolarHBondContact O-CB 3Å; P398-T401 PolarHBondContact O-N 3.16Å; P398-T401 PolarHBondContact O-OG1 3.35Å
399P57.7Low75.5Confident146 Ų14681.3 Ų81.395%0.94843%0.427SS*.THydrogen-bonded Turntrans-67.2-3.4-16526.5-36.5000116.1
400N62.3Low75.6Confident162 Ų16281 Ų8187%0.86642%0.424SS*.THydrogen-bonded Turntrans-112.438.8176.3-161.179.3000111.4P398P398-N400 PolarHBondContact O-N 2.82Å
401T63.8Low75.6Confident40 Ų4081.9 Ų81.925%0.24542%0.423CS..SBendtrans-109.5131.2178-51.50000109.5P397 P398 I407P397-T401 HydrophobicContact CB-CG2 3.99Å; P398-T401 WeakPolarHBondContact CD-OG1 3.37Å; P398-T401 WeakPolarHBondContact O-CB 3Å; P398-T401 PolarHBondContact O-N 3.16Å; P398-T401 PolarHBondContact O-OG1 3.35Å; T401-I407 HydrophobicContact CG2-CD1 3.78Å; T401-I407 HydrophobicContact CG2-CG1 4.39Å
402D71Confident75.6Confident111 Ų11182 Ų8259%0.59442%0.424SS*.  trans-57.3133.2177-64.2-74.7000112.1N404 V405D402-N404 PolarHBondContact O-N 2.91Å; D402-N404 VanDerWaalsContact O-N 3.09Å; D402-V405 HydrophobicContact CB-CG2 4.11Å; D402-V405 PolarHBondContact O-N 3.22Å
403P68.3Low75.9Confident111 Ų11179.3 Ų79.372%0.72142%0.416SS*.THydrogen-bonded Turntrans-64.2-18.1178.127.5-35.4000112.8V405P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 PolarHBondContact O-N 3.42Å
404N77.2Confident75.9Confident124 Ų12479.7 Ų79.766%0.66343%0.426SS*.THydrogen-bonded Turntrans-80.9-0175.9-63.9-15.9000113.2A366 D402A366-N404 WeakPolarHBondContact CB-O 3.4Å; A366-N404 PolarHBondContact N-O 3.07Å; D402-N404 PolarHBondContact O-N 2.91Å; D402-N404 VanDerWaalsContact O-N 3.09Å
405V82.3Confident76.3Confident46 Ų4684.8 Ų84.828%0.27945%0.449SS..EExtended strand (participates in β ladder)trans-119.3137.2179.4179.40000110.5A363 D402 P403 I407A363-V405 HydrophobicContact CB-CG1 3.81Å; D402-V405 HydrophobicContact CB-CG2 4.11Å; D402-V405 PolarHBondContact O-N 3.22Å; P403-V405 VanDerWaalsContact C-N 3.26Å; P403-V405 PolarHBondContact O-N 3.42Å; V405-I407 HydrophobicContact CG1-CG1 4.45Å
406R83.5Confident77.4Confident111 Ų11177 Ų7742%0.41942%0.422SS..EExtended strand (participates in β ladder)trans-115.9126.5174.4-68.2-64.1-175.1175-3.2109.3V364 A366 C369 L393V364-R406 PolarHBondContact N-O 2.97Å; V364-R406 PolarHBondContact O-N 3.47Å; A366-R406 HydrophobicContact CB-CG 4.01Å; C369-R406 HydrophobicContact CB-CB 3.91Å; C369-R406 HydrophobicContact CB-CG 3.88Å; L393-R406 HydrophobicContact CD1-CB 4.1Å
407I84.6Confident78.8Confident20 Ų2070.5 Ų70.510%0.10339%0.387CS..EExtended strand (participates in β ladder)trans-99.8128.7-173.8-63.4-178.5000109.9T361 Q394 P397 T401 V405T361-I407 HydrophobicContact CG2-CG2 3.28Å; Q394-I407 HydrophobicContact CB-CB 4.37Å; Q394-I407 HydrophobicContact CB-CG2 4.32Å; Q394-I407 HydrophobicContact CG-CG2 4.18Å; Q394-I407 PolarHBondContact N-O 3.15Å; Q394-I407 VanDerWaalsContact OE1-CG2 3.22Å; P397-I407 HydrophobicContact CB-CD1 4.18Å; T401-I407 HydrophobicContact CG2-CD1 3.78Å; T401-I407 HydrophobicContact CG2-CG1 4.39Å; V405-I407 HydrophobicContact CG1-CG1 4.45Å
408F87.7Confident80Confident0 Ų073.4 Ų73.40%040%0.396CS..EExtended strand (participates in β ladder)trans-106136.6168.7-64.6-94.1000109.8Y362 V364 V372 I373 I380 V391 E392 L393Y362-F408 PolarHBondContact N-O 3.09Å; Y362-F408 PolarHBondContact O-N 3.16Å; V364-F408 HydrophobicContact CB-CD2 4.2Å; V364-F408 HydrophobicContact CB-CE2 3.86Å; V364-F408 HydrophobicContact CG1-CE2 4.44Å; V364-F408 HydrophobicContact CG2-CD2 3.62Å; V364-F408 HydrophobicContact CG2-CE2 3.62Å; V372-F408 HydrophobicContact CB-CZ 4.17Å; V372-F408 HydrophobicContact CG1-CE1 4.21Å; V372-F408 HydrophobicContact CG1-CE2 4.31Å; V372-F408 HydrophobicContact CG1-CZ 3.9Å; I373-F408 HydrophobicContact CD1-CZ 4.35Å; I373-F408 HydrophobicContact CG1-CE1 4.1Å; I373-F408 HydrophobicContact CG1-CZ 4.04Å; I380-F408 HydrophobicContact CD1-CD1 4.19Å; I380-F408 HydrophobicContact CD1-CE1 3.93Å; V391-F408 HydrophobicContact CG1-CD1 4.22Å; E392-F408 CarbonylContact O-C 3.47Å; E392-F408 VanDerWaalsContact O-CA 3.22Å; E392-F408 WeakPolarHBondContact O-CA 3.24Å; L393-F408 HydrophobicContact CB-CD1 4.08Å; L393-F408 HydrophobicContact CB-CE1 3.92Å; L393-F408 HydrophobicContact CD1-CD1 4.16Å; L393-F408 HydrophobicContact CD1-CD2 4.38Å; L393-F408 HydrophobicContact CD1-CE1 3.8Å; L393-F408 HydrophobicContact CD1-CE2 4.04Å; L393-F408 HydrophobicContact CD1-CG 4.45Å; L393-F408 HydrophobicContact CD1-CZ 3.75Å; L393-F408 HydrophobicContact CG-CE1 4.46Å
409S87.5Confident81.3Confident9 Ų974 Ų746%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-89.7134161.2-1800000109.2E359 V391 E392E359-S409 VanDerWaalsContact CD-OG 3.26Å; E359-S409 VanDerWaalsContact CG-OG 3.23Å; E359-S409 WeakPolarHBondContact CG-OG 3.48Å; E359-S409 PolarHBondContact OE1-OG 3.46Å; V391-S409 WeakPolarHBondContact CA-O 3.22Å; E392-S409 PolarHBondContact N-O 2.96Å; E392-S409 PolarHBondContact O-N 2.94Å
410I89.8Confident82.8Confident0 Ų067 Ų670%035%0.346CS..EExtended strand (participates in β ladder)trans-121.7114.5173.4-53176.5000108E359 V360 Y362 A389 H390 V391 L417 A420 I424E359-I410 WeakPolarHBondContact CA-O 3.48Å; V360-I410 PolarHBondContact N-O 2.82Å; V360-I410 PolarHBondContact O-N 3.41Å; Y362-I410 HydrophobicContact CG-CD1 4.27Å; A389-I410 HydrophobicContact CB-CG2 3.92Å; H390-I410 CarbonylContact O-C 3.59Å; H390-I410 WeakPolarHBondContact O-CA 3.48Å; V391-I410 HydrophobicContact CG1-CG1 4.28Å; V391-I410 HydrophobicContact CG2-CG1 4.27Å; V391-I410 HydrophobicContact CG2-CG2 4.21Å; I410-L417 HydrophobicContact CB-CD1 3.75Å; I410-L417 HydrophobicContact CD1-CD1 4.26Å; I410-L417 HydrophobicContact CG2-CD1 3.53Å; I410-A420 HydrophobicContact CD1-CB 4.34Å; I410-A420 HydrophobicContact CG2-CB 3.73Å; I410-I424 HydrophobicContact CD1-CD1 3.62Å; I410-I424 HydrophobicContact CG1-CD1 4.43Å
411R87.1Confident84Confident121 Ų12165 Ų6546%0.45733%0.325SS..EExtended strand (participates in β ladder)trans-113.5128177.2-166.4-173.3-66.5155.40.8111.7Q358 E359 H390Q358-R411 CarbonylContact O-C 3.55Å; Q358-R411 VanDerWaalsContact O-CA 3.26Å; Q358-R411 WeakPolarHBondContact O-CA 3.44Å; E359-R411 HydrophobicContact CB-CB 4.32Å; E359-R411 HydrophobicContact CB-CG 4.11Å; E359-R411 HydrophobicContact CG-CB 4.27Å; E359-R411 IonicContact OE1-NH2 2.65Å; E359-R411 IonicContact OE2-CZ 3.99Å; E359-R411 IonicContact OE2-NE 2.69Å; E359-R411 PolarHBondContact OE2-NE 3.25Å; E359-R411 IonicContact OE2-NH2 3.09Å; E359-R411 PolarHBondContact OE2-NH2 2.87Å; H390-R411 HydrophobicContact CB-CB 4.35Å; H390-R411 PolarHBondContact N-O 2.97Å; H390-R411 PolarHBondContact O-N 2.77Å
412G89.1Confident85.2Confident2 Ų268.9 Ų68.92%0.02134%0.341CS..EExtended strand (participates in β ladder)trans175.1-176.7-178.600000113.1Q358Q358-G412 PolarHBondContact N-O 3.44Å; Q358-G412 PolarHBondContact O-N 3.45Å; Q358-G412 VanDerWaalsContact O-O 3.12Å
413T90.7Very high86.1Confident52 Ų5264.3 Ų64.332%0.31932%0.316SS..  trans-69.1162.8165.869.10000110.5L357 Q415 Q416 L417L357-T413 HydrophobicContact CD2-CG2 4.23Å; T413-Q415 PolarHBondContact O-N 2.86Å; T413-Q415 VanDerWaalsContact O-N 3.14Å; T413-Q416 WeakPolarHBondContact O-CB 3.46Å; T413-Q416 PolarHBondContact O-N 3.38Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.26Å; T413-Q416 PolarHBondContact OG1-OE1 3.26Å; T413-L417 PolarHBondContact O-N 2.94Å
414A84.9Confident87.1Confident54 Ų5459 Ų5945%0.44628%0.282SS..Hα-helixtrans-52.6-38.3-179.700000113.7E418A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.82Å
415Q87.5Confident87.5Confident168 Ų16856.2 Ų56.279%0.78527%0.267SS*.Hα-helixtrans-70.8-36.6176.8-68.5-177-14.100113T413 K419T413-Q415 PolarHBondContact O-N 2.86Å; T413-Q415 VanDerWaalsContact O-N 3.14Å; Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.45Å; Q415-K419 VanDerWaalsContact O-N 3.15Å
416Q89.9Confident87.6Confident50 Ų5059 Ų5923%0.23428%0.277CS..Hα-helixtrans-69.3-42176.1-66.8173.1-42.400110.9S387 R388 A389 T413 K419 A420S387-Q416 WeakPolarHBondContact O-CB 3.4Å; S387-Q416 WeakPolarHBondContact O-CG 3.22Å; R388-Q416 HydrophobicContact CB-CG 4.41Å; R388-Q416 PolarHBondContact O-NE2 2.9Å; A389-Q416 HydrophobicContact CB-CB 4.09Å; T413-Q416 WeakPolarHBondContact O-CB 3.46Å; T413-Q416 PolarHBondContact O-N 3.38Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.26Å; T413-Q416 PolarHBondContact OG1-OE1 3.26Å; Q416-K419 PolarHBondContact O-N 2.87Å; Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 2.81Å
417L87.8Confident87.6Confident20 Ų2058.4 Ų58.411%0.10528%0.275CS..Hα-helixtrans-60.6-50.5175.6170.160.6000111.7V360 I410 T413 K419 A420 R421V360-L417 HydrophobicContact CB-CD1 3.88Å; V360-L417 HydrophobicContact CB-CD2 3.81Å; V360-L417 HydrophobicContact CG1-CD1 4.3Å; V360-L417 HydrophobicContact CG1-CD2 4.42Å; V360-L417 HydrophobicContact CG2-CD2 3.51Å; I410-L417 HydrophobicContact CB-CD1 3.75Å; I410-L417 HydrophobicContact CD1-CD1 4.26Å; I410-L417 HydrophobicContact CG2-CD1 3.53Å; T413-L417 PolarHBondContact O-N 2.94Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.62Å; L417-A420 WeakPolarHBondContact O-CB 3.38Å; L417-A420 PolarHBondContact O-N 3.19Å; L417-R421 WeakPolarHBondContact O-CB 3.4Å; L417-R421 PolarHBondContact O-N 3.17Å
418E85.7Confident87.5Confident116 Ų11658.8 Ų58.854%0.54228%0.277SS..Hα-helixtrans-63.6-39.4-179.5-171.962.6-169.600111.5A414 R421 Q422A414-E418 WeakPolarHBondContact O-CB 3.23Å; A414-E418 PolarHBondContact O-N 2.82Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 PolarHBondContact O-N 3.2Å
419K88.3Confident86.4Confident91 Ų9161.6 Ų61.640%0.39631%0.306SS..Hα-helixtrans-67.1-38.4174.5-170.5172.1-178.8-1650112.6Q386 Q415 Q416 L417 L423Q386-K419 WeakPolarHBondContact O-CD 3.37Å; Q386-K419 WeakPolarHBondContact O-CE 3.5Å; Q386-K419 PolarHBondContact O-NZ 2.67Å; Q415-K419 WeakPolarHBondContact O-CB 3.36Å; Q415-K419 PolarHBondContact O-N 3.45Å; Q415-K419 VanDerWaalsContact O-N 3.15Å; Q416-K419 PolarHBondContact O-N 2.87Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.62Å; K419-L423 HydrophobicContact CG-CD1 4.1Å; K419-L423 WeakPolarHBondContact O-CB 3.27Å; K419-L423 WeakPolarHBondContact O-CD1 3.4Å; K419-L423 VanDerWaalsContact O-CG 3.26Å; K419-L423 WeakPolarHBondContact O-CG 3.24Å; K419-L423 PolarHBondContact O-N 3.34Å; K419-L423 VanDerWaalsContact O-N 3.1Å
420A89.3Confident84.4Confident0 Ų063.8 Ų63.80%033%0.33CS..Hα-helixtrans-62.9-4617400000111.1A389 V391 I410 Q416 L417 L423 I424A389-A420 HydrophobicContact CB-CB 3.84Å; V391-A420 HydrophobicContact CG2-CB 4.17Å; I410-A420 HydrophobicContact CD1-CB 4.34Å; I410-A420 HydrophobicContact CG2-CB 3.73Å; Q416-A420 WeakPolarHBondContact O-CB 3.44Å; Q416-A420 PolarHBondContact O-N 2.81Å; L417-A420 WeakPolarHBondContact O-CB 3.38Å; L417-A420 PolarHBondContact O-N 3.19Å; A420-L423 PolarHBondContact O-N 3.47Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 3.09Å
421R88.8Confident82.1Confident118 Ų11869.3 Ų69.345%0.44537%0.366SS..Hα-helixtrans-56.2-53.5174.9178.4174.2-168.6155.710.5111.3Y362 L417 E418 L423 I424 D425Y362-R421 HydrophobicContact CD2-CG 4.23Å; Y362-R421 HydrophobicContact CE2-CG 3.85Å; L417-R421 WeakPolarHBondContact O-CB 3.4Å; L417-R421 PolarHBondContact O-N 3.17Å; E418-R421 PolarHBondContact O-N 2.86Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 2.98Å; R421-I424 PolarHBondContact O-N 3.18Å; R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 IonicContact NE-OD2 3.21Å; R421-D425 PolarHBondContact O-N 3.48Å
422Q87.6Confident79.8Confident123 Ų12367.3 Ų67.358%0.57538%0.383SS*.Hα-helixtrans-54-46.1178.5-176.5-177.3-100112.2E418 I424 D425 E426E418-Q422 WeakPolarHBondContact O-CB 3.42Å; E418-Q422 PolarHBondContact O-N 3.2Å; Q422-I424 VanDerWaalsContact C-N 3.27Å; Q422-I424 PolarHBondContact O-N 2.93Å; Q422-D425 PolarHBondContact O-N 3.05Å; Q422-E426 WeakPolarHBondContact O-CB 3.33Å; Q422-E426 PolarHBondContact O-N 3.2Å
423L90Very high77.5Confident14 Ų1475.7 Ų75.77%0.07343%0.425CS..Hα-helixtrans-68.6-23.7179.6-70.4165.7000113.4I383 Q386 K419 A420 R421 R427I383-L423 HydrophobicContact CG1-CB 4.16Å; I383-L423 HydrophobicContact CG2-CB 4.27Å; Q386-L423 HydrophobicContact CB-CD1 3.52Å; K419-L423 HydrophobicContact CG-CD1 4.1Å; K419-L423 WeakPolarHBondContact O-CB 3.27Å; K419-L423 WeakPolarHBondContact O-CD1 3.4Å; K419-L423 VanDerWaalsContact O-CG 3.26Å; K419-L423 WeakPolarHBondContact O-CG 3.24Å; K419-L423 PolarHBondContact O-N 3.34Å; K419-L423 VanDerWaalsContact O-N 3.1Å; A420-L423 PolarHBondContact O-N 3.47Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 2.98Å; L423-R427 WeakPolarHBondContact O-CG 3.45Å
424I89.1Confident74.8Confident0 Ų076.2 Ų76.20%044%0.441CS..Hα-helixtrans-82.3-47.1173.8-64.4161.5000110Y362 V364 V372 I383 V391 I410 A420 R421 Q422 E426 R427 I428Y362-I424 HydrophobicContact CD1-CD1 4.5Å; Y362-I424 HydrophobicContact CD1-CG2 3.98Å; Y362-I424 HydrophobicContact CE1-CB 4.14Å; Y362-I424 HydrophobicContact CE1-CG2 3.29Å; V364-I424 HydrophobicContact CG2-CG2 4.37Å; V372-I424 HydrophobicContact CB-CG2 4.47Å; V372-I424 HydrophobicContact CG1-CB 4.46Å; V372-I424 HydrophobicContact CG1-CG1 4.07Å; V372-I424 HydrophobicContact CG1-CG2 3.76Å; V372-I424 HydrophobicContact CG2-CG2 3.81Å; I383-I424 HydrophobicContact CD1-CG1 4.02Å; I383-I424 HydrophobicContact CG2-CD1 4.33Å; I383-I424 HydrophobicContact CG2-CG1 3.91Å; V391-I424 HydrophobicContact CG1-CD1 4.28Å; I410-I424 HydrophobicContact CD1-CD1 3.62Å; I410-I424 HydrophobicContact CG1-CD1 4.43Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 WeakPolarHBondContact O-CG1 3.4Å; A420-I424 PolarHBondContact O-N 3.09Å; R421-I424 PolarHBondContact O-N 3.18Å; Q422-I424 VanDerWaalsContact C-N 3.27Å; Q422-I424 PolarHBondContact O-N 2.93Å; I424-E426 PolarHBondContact O-N 3.46Å; I424-R427 PolarHBondContact O-N 3.19Å; I424-I428 HydrophobicContact CG2-CD1 3.61Å; I424-I428 HydrophobicContact CG2-CG1 4.42Å; I424-I428 WeakPolarHBondContact O-CG1 3.28Å; I424-I428 PolarHBondContact O-N 2.96Å
425D85.6Confident72.4Confident66 Ų6679.3 Ų79.335%0.35346%0.459SS..Hα-helixtrans-56.5-37.2174.2-82.6-56.9000111.3Y362 R421 Q422 R427 I428 G429Y362-D425 PolarHBondContact OH-OD1 3.13Å; Y362-D425 PolarHBondContact OH-OD2 3.1Å; R421-D425 WeakPolarHBondContact CG-OD2 3.38Å; R421-D425 IonicContact NE-OD2 3.21Å; R421-D425 PolarHBondContact O-N 3.48Å; Q422-D425 PolarHBondContact O-N 3.05Å; D425-R427 PolarHBondContact O-N 2.78Å; D425-I428 PolarHBondContact O-N 2.84Å; D425-G429 PolarHBondContact O-N 2.73Å
426E85.3Confident69.8Low104 Ų10478.6 Ų78.649%0.48646%0.461SS..Hα-helixtrans-61.9-38.1173.9-169-175.4132.500112.8Q422 I424 I428 G430Q422-E426 WeakPolarHBondContact O-CB 3.33Å; Q422-E426 PolarHBondContact O-N 3.2Å; I424-E426 PolarHBondContact O-N 3.46Å; E426-I428 VanDerWaalsContact C-N 3.34Å; E426-G430 PolarHBondContact O-N 2.91Å; E426-G430 VanDerWaalsContact O-N 3.12Å
427R82.4Confident67.1Low99 Ų9981.9 Ų81.937%0.37449%0.489SS..Hα-helixtrans-78-18176.2-59.9-63177.9-162.7-2.9113.5T379 I383 L423 I424 D425T379-R427 HydrophobicContact CG2-CG 3.96Å; I383-R427 HydrophobicContact CD1-CG 4.42Å; L423-R427 WeakPolarHBondContact O-CG 3.45Å; I424-R427 PolarHBondContact O-N 3.19Å; D425-R427 PolarHBondContact O-N 2.78Å
428I82.6Confident64.4Low27 Ų2787 Ų8714%0.13852%0.517CS..Hα-helixtrans-93.9-32179.7-72.6171.5000112Y362 V364 K368 V372 I424 D425 E426Y362-I428 HydrophobicContact CE1-CD1 3.96Å; V364-I428 HydrophobicContact CB-CD1 4.26Å; V364-I428 HydrophobicContact CG1-CD1 3.65Å; V364-I428 HydrophobicContact CG1-CG1 4.16Å; V364-I428 HydrophobicContact CG2-CD1 3.69Å; K368-I428 HydrophobicContact CB-CG1 4.37Å; K368-I428 HydrophobicContact CD-CB 4.4Å; K368-I428 HydrophobicContact CD-CG2 3.73Å; K368-I428 PolarHBondContact NZ-O 3.24Å; V372-I428 HydrophobicContact CG2-CD1 3.91Å; V372-I428 HydrophobicContact CG2-CG1 3.69Å; I424-I428 HydrophobicContact CG2-CD1 3.61Å; I424-I428 HydrophobicContact CG2-CG1 4.42Å; I424-I428 WeakPolarHBondContact O-CG1 3.28Å; I424-I428 PolarHBondContact O-N 2.96Å; D425-I428 PolarHBondContact O-N 2.84Å; E426-I428 VanDerWaalsContact C-N 3.34Å
429G66.4Low61.8Low59 Ų5990.8 Ų90.861%0.60853%0.532SS*.Hα-helixtrans-111.8-3.6-171.500000115.7D425 P431D425-G429 PolarHBondContact O-N 2.73Å; G429-P431 VanDerWaalsContact O-CD 3.22Å; G429-P431 WeakPolarHBondContact O-CD 3.39Å
430G43.5Very low58.9Low55 Ų5589.5 Ų89.557%0.56755%0.545SS*.  trans-73.1115.8176.400000113.2E426E426-G430 PolarHBondContact O-N 2.91Å; E426-G430 VanDerWaalsContact O-N 3.12Å
431P43.3Very low56.2Low117 Ų11798.6 Ų98.676%0.7659%0.589SS**  trans-68169.9158.732.8-35.2000110.1G429 I433G429-P431 VanDerWaalsContact O-CD 3.22Å; G429-P431 WeakPolarHBondContact O-CD 3.39Å; P431-I433 PolarHBondContact O-N 3.36Å
432G37Very low53.5Low79 Ų7998.3 Ų98.381%0.81461%0.605SS**  trans-55.6128.6-174.900000113.6G434G432-G434 PolarHBondContact O-N 3.03Å
433I41.2Very low51.9Low178 Ų17897.5 Ų97.591%0.91361%0.611SS**  trans-71.8103.9175.1-66.7178.2000109.1P431P431-I433 PolarHBondContact O-N 3.36Å
434G35.2Very low49Very low63 Ų63106.8 Ų106.865%0.64965%0.646SS**  trans-140.8107.4165.300000109.6G432G432-G434 PolarHBondContact O-N 3.03Å
435S34.5Very low46.3Very low118 Ų118113.5 Ų113.583%0.82568%0.682SS**  trans64.897.4167.2-58.50000119.2
436N32.2Very low43.8Very low154 Ų154118.9 Ų118.982%0.82471%0.705SS**  41.8112.5118.2-159.949.6000119.6
437S33.2Very low41Very low119 Ų119117.5 Ų117.583%0.83272%0.719SS**  trans-77.5128.8174.3-49.40000113.4
438N31.2Very low40Very low128 Ų128118.7 Ų118.768%0.68474%0.739SS**  trans-157.7133.4162-156.916.4000111.9
439F30.2Very low37.5Very low195 Ų195124.2 Ų124.286%0.85578%0.775SS**  trans57.7155-175.1-69.9-103.6000115.2
440G28.8Very low35.8Very low64 Ų64127.6 Ų127.666%0.6678%0.784SS**  cis148.4120.1-2.100000110.6
441M31.5Very low36.2Very low191 Ų191130.2 Ų130.294%0.94179%0.791SS**  trans24.6132.4167.3-63.5-61.9-17500122.1
442S33.2Very low36.7Very low111 Ų111129.7 Ų129.778%0.77679%0.787SS**  trans-56.8167.6159.9-30.60000112.7
443P53Low36.3Very low107 Ų107134.3 Ų134.370%0.69579%0.788SS**  cis-150.7-166.338.732.8-5.2000117.9
444Y30.2Very low35.8Very low208 Ų208134.8 Ų134.882%0.81679%0.786SS**  trans68.2161.6175-74-93.4000116.5
445N32.8Very low35.4Very low141 Ų141134.8 Ų134.875%0.75479%0.785SS**  cis-140.4176.49.9-16417.2000113.4
446Q31.2Very low35.9Very low179 Ų179134.6 Ų134.684%0.83678%0.782SS**  trans-100.5165.7-179.4-52.8173.35.900113.8
447G27.6Very low35.8Very low75 Ų75135.3 Ų135.377%0.77378%0.78SS**  trans135.9128.6151.500000118.2
448P61.1Low35.4Very low124 Ų124137.1 Ų137.181%0.80578%0.777SS**  trans-119.7163.9176.241-31000115.4
449T29.3Very low35.3Very low143 Ų143139.8 Ų139.888%0.87778%0.783SS**  trans-146.6152.1172.448.40000114.2
450T30.9Very low35.2Very low130 Ų130138.3 Ų138.380%0.79878%0.781SS**  trans-147.4-155-170.460.80000110.5
451P52.6Low35.1Very low110 Ų110142.4 Ų142.471%0.71479%0.793SS**  cis-120.1-43.9-34.219.1-6000124
452P54.2Low35Very low106 Ų106136.8 Ų136.869%0.68878%0.784SS**  -135.7127.9-11836.8-17.5000119.9
453Q27.8Very low34.5Very low176 Ų176134.5 Ų134.582%0.82278%0.778SS**  trans-178.5144.1141.6-100.6-176.61800108.7
454H31.1Very low33.3Very low189 Ų189142.2 Ų142.288%0.87579%0.794SS**  cis-140.1167.8-2.2-106.9-68.6000109.5
455G27.1Very low33.1Very low62 Ų62135.8 Ų135.864%0.63979%0.79SS**  trans-92.1-157.4174.900000114.1
456P45.3Very low33Very low115 Ų115135.5 Ų135.575%0.74779%0.794SS**  cis-143.4151.213.440.3-20.7000119.3
457Q29.7Very low32.6Very low169 Ų169133.5 Ų133.579%0.7979%0.794SS**  trans63.5157.8142.9-61-69.1-15.800119.4
458M25.1Very low32.6Very low157 Ų157139.4 Ų139.477%0.77380%0.799SS**  cis-147.2156.416.9-92.4-157.6172.700114.6
459F28.3Very low31.1Very low184 Ų184139.9 Ų139.981%0.80779%0.79SS**  trans73171.5147.6-93.9-98.7000123.6
460M27.9Very low30.8Very low164 Ų164141.1 Ų141.181%0.80879%0.79SS**  trans-130.2-171.3-148.4-55.9175.660.300114.4
461T27.1Very low30.5Very low150 Ų150144.1 Ų144.192%0.9279%0.786SS**  trans86.4159.1162.7-145.70000118.1
462G28.8Very low29.3Very low72 Ų72145.7 Ų145.774%0.74278%0.784SS**  trans-174.3-172.9-175.600000113.5
463G24.4Very low29.1Very low64 Ų64145 Ų14566%0.6678%0.78SS**  trans133136.2174.400000115.1
464W26.7Very low28.9Very low269 Ų269145.9 Ų145.9100%1.01978%0.784SS**  trans39.1132.2150.5-51.295.6000122.1
465G27Very low28.7Very low72 Ų72140 Ų14074%0.74278%0.775SS**  trans149.388.3149.500000120
466T29.2Very low28.9Very low136 Ų136145.6 Ų145.683%0.83478%0.784SS**  trans-6.8139.7150.6510000121.9
467T24.5Very low28.1Very low137 Ų137147.9 Ų147.984%0.8479%0.785SS**  -178.8156.7128.6-83.60000115.2
468F27.5Very low28Very low198 Ų198146 Ų14687%0.86878%0.78SS**  trans-75.3-179.4179.1-69.4-60.5000115.3
469Q29.3Very low28.2Very low135 Ų135146.4 Ų146.463%0.63178%0.78SS**  cis170.6142.1-27.8177.5-96.112400107.8
470I22.9Very low28.2Very low169 Ų169142.4 Ų142.487%0.86778%0.775SS**  trans-166.5171.5161.9-106.2153.1000114.2
471W24Very low28.5Very low192 Ų192142.8 Ų142.873%0.72777%0.774SS**  trans-129.6139.9-158.7-121.862.4000114.1
472Q28Very low28.6Very low143 Ų143142.9 Ų142.967%0.66877%0.769SS**  trans54177.2136.1-102.9-173.254.300121.8
473P48.6Very low28.6Very low93 Ų93142.3 Ų142.360%0.60476%0.764SS**  cis-138.3-177.2-17.838.2-18.6000117.4
474Q25.2Very low29Very low194 Ų194145.3 Ų145.391%0.90777%0.774SS**  trans89.6132.3135.7-152.216612.400123.3
475G26.6Very low29.3Very low66 Ų66141.1 Ų141.168%0.6877%0.766SS**  trans148.192146.200000120.9
476Q30.2Very low29.4Very low178 Ų178144 Ų14483%0.83277%0.77SS**  trans54.8156.2141.5-66.4-178.1-1.900120.4
477Q29.4Very low29.5Very low164 Ų164141 Ų14177%0.76677%0.765SS**  cis-168.1172.4-5.2-105.7167.6-9.900105.8
478D27.1Very low29.8Very low128 Ų128144 Ų14468%0.68477%0.77SS**  cis-172.6-174.2-27.6178.144.7000108.2
479H30.6Very low30.7Very low166 Ų166142.5 Ų142.577%0.76977%0.767SS**  trans74.4137.6174.8-59.93.2000115.7
480S28.2Very low31.1Very low101 Ų101140.9 Ų140.971%0.70676%0.763SS**  cis-175.8167.9-16.1-127.50000107.3
481H34Very low31.9Very low172 Ų172142.2 Ų142.280%0.79676%0.758SS**  cis-161.6-177.90.7-153.268.4000111
482N29.2Very low33Very low151 Ų151140.7 Ų140.781%0.80776%0.759SS**  trans72.4102156.2-161.424.8000121.3
483G29.1Very low33.9Very low61 Ų61141.2 Ų141.263%0.62976%0.761SS**  115.765.2110.600000122
484S32Very low33.7Very low126 Ų126143.3 Ų143.388%0.88176%0.758SS**  trans-179.3151.9132.133.80000114.2
485Q31.9Very low34.5Very low181 Ų181143.8 Ų143.885%0.84675%0.753SS**  trans-99.8161175.1-73.3-179.9-16.500109.5
486T29.6Very low35.3Very low134 Ų134149.8 Ų149.882%0.82276%0.76SS**  cis-161.9165.80.56.20000109.6
487G31.7Very low36Very low72 Ų72150 Ų15074%0.74276%0.758SS**  trans103.786143.500000117.7
488Q31.7Very low36.6Very low201 Ų201148.3 Ų148.394%0.93975%0.754SS**PPolyproline II helixtrans-102.6126.1155.4-163.3169.417.700107.5
489M44.7Very low37.2Very low165 Ų165145.8 Ų145.881%0.81376%0.758SS**PPolyproline II helixtrans-89.4141.1-169.8-76177.9-77.100113.1
490D38.5Very low37.8Very low102 Ų102146.6 Ų146.655%0.54576%0.762SS.*PPolyproline II helixtrans-79.6134.3171.3167.535.1000110.8E492D490-E492 PolarHBondContact OD1-N 3.07Å; D490-E492 VanDerWaalsContact OD1-N 3.08Å
491W39.4Very low38Very low196 Ų196150.5 Ų150.574%0.74277%0.769SS**SBendtrans-90.7-15-176-77.7103.4000114Q493 Y494W491-Q493 VanDerWaalsContact C-N 3.28Å; W491-Q493 PolarHBondContact O-N 3.38Å; W491-Y494 PolarHBondContact O-N 3.15Å; W491-Y494 VanDerWaalsContact O-N 3.16Å
492E48.3Very low37.9Very low161 Ų161149.7 Ų149.775%0.75277%0.771SS**Hα-helixtrans-69-25.2-174.4-63.1-164.8167.700113.2D490 Y494D490-E492 PolarHBondContact OD1-N 3.07Å; D490-E492 VanDerWaalsContact OD1-N 3.08Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.25Å
493Q45.4Very low37.9Very low153 Ų153151.1 Ų151.172%0.71577%0.773SS**Hα-helixtrans-70.7-22.7174.6-62-163.619.300114W491W491-Q493 VanDerWaalsContact C-N 3.28Å; W491-Q493 PolarHBondContact O-N 3.38Å
494Y44Very low38.3Very low138 Ų138154.3 Ų154.354%0.54178%0.782SS.*Hα-helixtrans-71.5-48.5-175.5-174-101.1000112W491 E492 K496 K497 L498W491-Y494 PolarHBondContact O-N 3.15Å; W491-Y494 VanDerWaalsContact O-N 3.16Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.25Å; Y494-K496 PolarHBondContact O-N 3.26Å; Y494-K497 PolarHBondContact O-N 3.08Å; Y494-K497 VanDerWaalsContact O-N 3.11Å; Y494-L498 HydrophobicContact CE1-CD1 4.36Å
495Y43.1Very low38.1Very low203 Ų203157.3 Ų157.380%0.79678%0.782SS**Hα-helixtrans-61.2-29.8-179.2-95.3-84.3000113.3K497Y495-K497 PolarHBondContact O-N 3.3Å
496K43.8Very low38Very low193 Ų193154 Ų15484%0.83978%0.779SS**THydrogen-bonded Turntrans-74.1-6.5-179.7-142.2167.6-171.7170.80114Y494Y494-K496 PolarHBondContact O-N 3.26Å
497K44.7Very low37.8Very low182 Ų182154.4 Ų154.479%0.79178%0.782SS**THydrogen-bonded Turntrans-108-10-175.9-159.6168.8-178.6178.50115.2Y494 Y495Y494-K497 PolarHBondContact O-N 3.08Å; Y494-K497 VanDerWaalsContact O-N 3.11Å; Y495-K497 PolarHBondContact O-N 3.3Å
498L40.9Very low37.7Very low129 Ų129155.4 Ų155.468%0.67578%0.783SS**SBendtrans-92.3-12.8174.2-99.875000114.2Y494 Q500Y494-L498 HydrophobicContact CE1-CD1 4.36Å; L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 3.44Å
499G40.4Very low37.9Very low75 Ų75152.1 Ų152.177%0.77378%0.779SS**SBendtrans-83.215.4-171.200000116.6
500Q42.5Very low37Very low183 Ų183152.4 Ų152.486%0.85578%0.778SS**  trans-149.9152.4-175.2-158.4165.6102.800112.2L498L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 3.44Å
501Q32.5Very low36.4Very low182 Ų182157.9 Ų157.985%0.8579%0.793SS**  trans76.275.2173.8-159.3176.622.600117.7
502N32.1Very low35.9Very low155 Ų155153.5 Ų153.583%0.82978%0.784SS**  -161.8121.7121.1-117.2-63000114.1
503Q30.5Very low35.2Very low182 Ų182153.6 Ų153.685%0.8578%0.782SS**  trans-134.1147.5149.2-109.4-168.90.700106.8
504P36.8Very low34.3Very low127 Ų127151.1 Ų151.183%0.82578%0.778SS**  trans-81.6143.3-165.132.3-35.3000112.7
505Q28.2Very low33.5Very low190 Ų190156.3 Ų156.389%0.88880%0.796SS**  trans-138.8140.7165.8-167.9166.1-3.200111.2
506S28.3Very low32.7Very low111 Ų111150 Ų15078%0.77679%0.793SS**  trans-92.7135.4-167.2-33.40000113.1
507T27.3Very low31.9Very low143 Ų143149.9 Ų149.988%0.87780%0.795SS**  trans-153143.4152.129.60000110.6
508A28.5Very low31.1Very low93 Ų93147.8 Ų147.877%0.76980%0.798SS**  trans-87.6168.2162.900000110.1
509P37Very low30.4Very low132 Ų132147.9 Ų147.986%0.85780%0.804SS**  -132155.5123.337-30000113.9
510E25.1Very low29.8Very low171 Ų171148.7 Ų148.780%0.79980%0.803SS**  trans-97.7142.7178.4-175.4-176.2128.200111
511Y25.3Very low29.6Very low216 Ų216146.1 Ų146.185%0.84780%0.803SS**  trans-143.9146.6164.5170.3-112.6000109.6K513Y511-K513 PolarHBondContact OH-O 3.16Å
512N29.2Very low29.2Very low104 Ų104140.9 Ų140.956%0.55680%0.798SS**  trans-146.9164.2-162.2-167.8-14.2000110.1
513K34Very low29.1Very low163 Ų163139.6 Ų139.671%0.70980%0.8SS**  trans72.4138170.1-77.8172.3-177.81740116.1Y511Y511-K513 PolarHBondContact OH-O 3.16Å
514T26.3Very low28.9Very low102 Ų102139.8 Ų139.863%0.62680%0.802SS**  cis-159.3170.93.2-20.20000112.2
515W26.6Very low28.5Very low246 Ų246143.3 Ų143.393%0.93281%0.807SS**  trans75.5145.2166.4-49.8112.5000116.8
516G27.6Very low28.5Very low70 Ų70140.6 Ų140.672%0.72280%0.804SS**  cis-159.8177.4100000113.2
517Q27Very low28.5Very low191 Ų191140.8 Ų140.889%0.89381%0.805SS**  trans-83.9148.4-171.6-62.2171.4-14.300114
518T26.1Very low28.6Very low139 Ų139141.5 Ų141.585%0.85380%0.803SS**  trans-158.1136.9136.6-4.80000114.5
519T27.4Very low29Very low130 Ų130142.5 Ų142.580%0.79880%0.802SS**  trans-22.8144.616950.80000121.9
520A27.6Very low28.9Very low92 Ų92145.4 Ų145.476%0.7680%0.804SS**  trans-80.1178.115500000111.3
521P37.2Very low29.4Very low130 Ų130148 Ų14884%0.84481%0.808SS**  cis-125.7-176.746.637.2-20.1000113.4
522G25.7Very low29.8Very low72 Ų72144.2 Ų144.274%0.74280%0.803SS**  cis137122.3-5.900000112.9
523S29.1Very low30.3Very low127 Ų127143.7 Ų143.789%0.88881%0.813SS**  trans-156.7153.4170.853.30000111
524Q27.6Very low30.3Very low187 Ų187147.4 Ų147.487%0.87482%0.823SS**  trans-103.4155-166.7-57.5152.1-47.700112.7
525Q28.1Very low30.8Very low200 Ų200147.6 Ų147.694%0.93582%0.823SS**  -164.6160.3123.2-109.2169.61700113.9
526T27.7Very low31.3Very low134 Ų134142.7 Ų142.782%0.82282%0.815SS**  trans-94.3145.7-166.4-55.50000113.1
527S28.6Very low31.7Very low115 Ų115148.6 Ų148.680%0.80482%0.821SS**  trans-147.8145.9155.4560000111.2
528N29.8Very low32.2Very low157 Ų157150.3 Ų150.384%0.8482%0.821SS**  trans-83.9157-171.4-124.516000113.1
529P36.8Very low32.6Very low115 Ų115153.8 Ų153.875%0.74782%0.819SS**  trans-100.698-170.336.4-31.1000113.9
530E33.7Very low32.9Very low192 Ų192156.8 Ų156.890%0.89782%0.824SS**  trans-153.344.2169.3-139.7174.4167.700116
531Y37.1Very low33.5Very low226 Ų226157.9 Ų157.989%0.88682%0.823SS**  trans-155.975.3169.3-145.3-91.1000114.8
532N33.7Very low33.4Very low137 Ų137160.9 Ų160.973%0.73383%0.828SS**  trans-163.141.9167.4-106.8-31000114.9W534N532-W534 PolarHBondContact O-N 3.11Å
533A37.9Very low33.6Very low93 Ų93161.5 Ų161.577%0.76983%0.826SS**THydrogen-bonded Turntrans-90.114.1-172.800000116.3
534W33.9Very low33.8Very low241 Ų241165.4 Ų165.491%0.91383%0.828SS**THydrogen-bonded Turntrans-131.74.9-167.9-72.696.2000116N532N532-W534 PolarHBondContact O-N 3.11Å
535V38.5Very low33.9Very low106 Ų106166.4 Ų166.464%0.64283%0.829SS**SBendtrans-99.4-23.7-172.4-177.70000113.6
536D35.4Very low33.9Very low142 Ų142164.1 Ų164.176%0.75982%0.824SS**G310 helixtrans-84-11.6-172.4-83.8-64.5000116.2Y538D536-Y538 VanDerWaalsContact C-N 3.29Å; D536-Y538 PolarHBondContact O-N 3.2Å
537F37.8Very low34Very low194 Ų194166.8 Ų166.885%0.85183%0.827SS**G310 helixtrans-78.8-3.9-173.5-156.9-101.9000115.2
538Y35.7Very low34.1Very low228 Ų228165 Ų16589%0.89483%0.826SS**G310 helixtrans-124.225.6-177.9-103.5-81.2000114.5D536D536-Y538 VanDerWaalsContact C-N 3.29Å; D536-Y538 PolarHBondContact O-N 3.2Å
539R35.7Very low34.2Very low211 Ų211162.4 Ų162.480%0.79683%0.827SS**  trans-14868.8-179.3-157.7-179.3-172.8-128.11.4116.2
540Q33.2Very low33.9Very low194 Ų194165.9 Ų165.991%0.90783%0.833SS**  trans-164.9162.1141.3-107.8155.5108.400112.4
541P41.2Very low33.9Very low114 Ų114166 Ų16674%0.7483%0.833SS**  trans-112.9177-150.741.6-35.8000116.2A543P541-A543 PolarHBondContact O-N 3.49Å
542M35.1Very low33.7Very low194 Ų194161.6 Ų161.696%0.95683%0.83SS**  trans-64.6115.7168.7-62.5175.4-17900112
543A29.9Very low33.8Very low84 Ų84161 Ų16169%0.69483%0.834SS**  trans-165.689.2158.400000111.5P541P541-A543 PolarHBondContact O-N 3.49Å
544F31.6Very low33.6Very low210 Ų210161 Ų16192%0.92183%0.834SS**  trans-178.971.2152.8-101.4-60.6000112.6
545F30.4Very low34.2Very low208 Ų208155.9 Ų155.991%0.91283%0.832SS**  trans-168.1103.6142.6-131.3-92.8000111.2
546N28.2Very low34Very low152 Ų152154.4 Ų154.481%0.81384%0.838SS**  trans-160.598.5160.2-176.39.4000110.8
547Q30.7Very low34.3Very low189 Ų189155.4 Ų155.488%0.88384%0.843SS**  trans-163.1130.6150.2-122.1170.875.800111.3
548G28.7Very low34.4Very low77 Ų77154.2 Ų154.279%0.79484%0.84SS**  trans89.691.2158.900000118.2
549A32.8Very low34.5Very low103 Ų103149.8 Ų149.885%0.85183%0.832SS**  -171.4142.1122.300000111.7
550Q31.6Very low34.8Very low189 Ų189152.1 Ų152.188%0.88385%0.851SS**  trans-61.6144-172.4-65.3141.7-13.400114.3
551Q31.8Very low34.8Very low193 Ų193150 Ų15090%0.90285%0.848SS**  trans-87.9129.6160.2-69.9179.9-7.200110
552T33.4Very low34.5Very low134 Ų134151.9 Ų151.982%0.82285%0.854SS**  trans-105.6120.4167.138.90000109.9
553P35.6Very low34.5Very low125 Ų125149.6 Ų149.681%0.81285%0.848SS**PPolyproline II helixtrans-81.4127172.330.9-31.4000110.8
554A34.1Very low34.8Very low93 Ų93153.4 Ų153.477%0.76986%0.857SS**PPolyproline II helixtrans-81.1152.1168.200000111.1
555P45.9Very low34.9Very low133 Ų133149.9 Ų149.986%0.86485%0.853SS**PPolyproline II helixtrans-79.1160.8-173.233.4-37000113.2
556G34.8Very low35.3Very low76 Ų76146 Ų14678%0.78485%0.849SS**  trans-107.4165.3177.300000114.7
557L41.5Very low35.8Very low163 Ų163145.6 Ų145.685%0.85385%0.852SS**  trans-150.3117.8164.4-87.6144.6000103.2
558Q40.3Very low36.1Very low169 Ų169142.2 Ų142.279%0.7985%0.85SS**  cis81123.849.4-160166.739.500112.7
559D37.1Very low36.8Very low135 Ų135147.7 Ų147.772%0.72285%0.854SS**  trans17.9120175.7-64.4-120.8000120.5
560H42.3Very low37.1Very low259 Ų259151.7 Ų151.7100%1.19985%0.854SS**  -157.40103.6-114.6-57.9000114.4

Retrieved 560 of 560 residues in 114.8 ms (Link to these results)