A0A087WU74_HUMAN Loading...

Sterile alpha motif domain containing 11

AlphaFold DB , UniProt , Accession A0A087WU74, Species HUMAN (Homo sapiens, Human), Gene SAMD11, Length 844 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low36.2Very low235 Ų235152.5 Ų152.5100%1.15881%0.807SS**  0133.70-89.8-63.1-173.300108.7
2P51.8Low36.1Very low113 Ų113151.2 Ų151.273%0.73479%0.793SS**  cis-120.6167.2-23.238.1-25.2000112.7
3A35.7Very low35.7Very low103 Ų103151.6 Ų151.685%0.85180%0.796SS**  trans-146.9141.7168.800000111
4V38.7Very low35.5Very low122 Ų122153 Ų15374%0.73980%0.803SS**  trans-162138.3-159.11710000105.9
5K33.7Very low35.1Very low193 Ų193149.1 Ų149.184%0.83980%0.802SS**  cis-160167.5-1.4-107.1167.7-173.1170.90105.5
6K32.3Very low34.9Very low161 Ų161150.4 Ų150.470%0.781%0.807SS**  cis-165.6137-6.8169.3-134.2167.5-173.70106.7
7E28.9Very low34.5Very low183 Ų183147.1 Ų147.186%0.85581%0.805SS**  trans-117.7161.9164.3-68.4-171.913400111.5
8F32.8Very low34.2Very low177 Ų177148.7 Ų148.778%0.77681%0.812SS**  trans-167.2160.1161.3-95.1-54.1000108.4
9P45.8Very low34Very low121 Ų121145.3 Ų145.379%0.78681%0.806SS**  trans-132.3-149.3-131.937.2-14.1000112.2
10G30.6Very low33.9Very low64 Ų64144.2 Ų144.266%0.6680%0.803SS**  trans-127.4-170.2168.400000113.4
11R34.1Very low33.6Very low205 Ų205146.5 Ų146.577%0.77481%0.805SS**  trans83124.1-179.2-53.7-160.890.7169.9-1.1117.4
12E34.8Very low33.8Very low137 Ų137142.6 Ų142.664%0.6478%0.784SS**  50.4147.2122.2-63.6137.9-110.300122.1
13D31.9Very low33.6Very low157 Ų157143 Ų14384%0.8479%0.786SS**  trans63106.6164.8-62.2-15.5000121.5
14L32.3Very low33.6Very low171 Ų171143.6 Ų143.690%0.89578%0.78SS**  -156.1127128.5-139.8155000111.2
15A29.4Very low33.2Very low94 Ų94146 Ų14678%0.77779%0.788SS**  trans-124.9105.2177.900000111.5
16L31.6Very low33.2Very low170 Ų170140.8 Ų140.889%0.8978%0.781SS**  trans-164.7107.4158.9-146.774.6000112.7
17A29.2Very low33.2Very low94 Ų94137.6 Ų137.678%0.77778%0.784SS**  trans-168.1131.9156.300000111.4
18L29.3Very low33.5Very low176 Ų176136.6 Ų136.692%0.92178%0.784SS**  trans55.790.4161.9-53.1-176.6000118.2
19A30.4Very low33.8Very low84 Ų84134.2 Ų134.269%0.69479%0.786SS**  trans-98.2-179.5150.500000110.5
20T31.5Very low33.1Very low123 Ų123135.9 Ų135.976%0.75579%0.788SS**  trans73.7146.1-175.681.30000114.1
21F27.8Very low34.3Very low194 Ų194138.3 Ų138.385%0.85179%0.791SS**  cis-132.41566.5-106.8-82000112
22H38Very low35Very low152 Ų152134.3 Ų134.370%0.70479%0.792SS**  trans-92.6161157.4-134.6-90.1000108.4
23P45.8Very low35Very low122 Ų122135.2 Ų135.279%0.79280%0.8SS**  -148.7166.7107.138.1-22.8000115.7
24T35.7Very low35.9Very low116 Ų116133.8 Ų133.871%0.71280%0.8SS**  trans-121.2144166.4-45.20000107.1
25L31.2Very low35.7Very low172 Ų172128.4 Ų128.490%0.90179%0.786SS**  trans-168.8167156.5-113.2174.1000113.4
26A33.5Very low35.8Very low84 Ų84134.5 Ų134.569%0.69479%0.79SS**  trans-145.9165.3174.100000110.8
27A31.9Very low35.8Very low94 Ų94133.9 Ų133.978%0.77779%0.787SS**  trans72.5113.4171.100000119.7
28L35.7Very low36Very low162 Ų162133.8 Ų133.885%0.84879%0.786SS**  34.4141.2127.2-63.4177.7000120.6
29P39.6Very low36.9Very low126 Ų126131.3 Ų131.382%0.81878%0.781SS**  -144.9-176.551.340.4-20.3000118.4
30L31.5Very low37.1Very low157 Ų157135 Ų13582%0.82279%0.788SS**  trans-74.8170.7170.4-76.3165.6000112.1
31P54.9Low38.2Very low114 Ų114134.6 Ų134.674%0.7479%0.787SS**  cis-129.9-150.722.440.8-18.9000112
32P48Very low38.5Very low121 Ų121130.1 Ų130.179%0.78679%0.786SS**  cis-136.2-135.6-1.744.5-22.6000115.5
33L36Very low38.3Very low156 Ų156127.7 Ų127.782%0.81779%0.793SS**  trans-149.3171.5-174.3-91.2175.6000108.4
34P49.9Very low37.6Very low127 Ų127126.7 Ų126.783%0.82579%0.794SS**  cis-132.1-179.131.140.8-22.5000115.5
35G29.8Very low37.4Very low58 Ų58125.6 Ų125.660%0.59880%0.797SS**  cis135.2150.7-4.400000112.7
36Y30.1Very low37.3Very low222 Ų222125.7 Ų125.787%0.87180%0.798SS**  trans-171137.9159.1-126.4-128.4000114.4
37L31.7Very low38.7Very low158 Ų158126.8 Ų126.883%0.82780%0.797SS**  trans61.7149.3159.2-61.8175.5000123.5
38A32.8Very low39.6Very low91 Ų91128.2 Ų128.275%0.75280%0.799SS**  trans-124.6-175.8168.800000108.2
39P49.1Very low39.4Very low125 Ų125124.8 Ų124.881%0.81279%0.794SS**  cis-145.8-172.744.541.1-18.6000117.7
40L34.5Very low39Very low161 Ų161123.1 Ų123.184%0.84379%0.791SS**  trans-87-173.7171.1-83.8169.4000111.3
41P55Low38.9Very low114 Ų114121.2 Ų121.274%0.7479%0.79SS**  cis-154.5-174.624.346.7-24.9000121.3
42A34Very low37.9Very low100 Ų100123.7 Ų123.783%0.82680%0.797SS**  trans72.5151.6149.200000119.7
43A33.2Very low37.9Very low102 Ų102123.4 Ų123.484%0.84380%0.795SS**  cis-144.4-170.2-2.100000109.2
44A32.3Very low37.6Very low100 Ų100120 Ų12083%0.82679%0.789SS**  cis-143.3-142.73.100000108.4
45A30.1Very low36.6Very low94 Ų94119.7 Ų119.778%0.77779%0.79SS**  cis-158-169.42.300000110.1
46L29.7Very low36.6Very low174 Ų174121.1 Ų121.191%0.91180%0.796SS**  trans-142166.6-177.9-82.4177.8000115.5
47P63.2Low36.7Very low106 Ų106115.9 Ų115.969%0.68880%0.799SS**  trans-107.8-168.5-163.644.1-38000115.3
48P51.7Low36.5Very low125 Ų125110.9 Ų110.981%0.81279%0.785SS**  -142.3-16093.540.2-21.5000112.4
49A30Very low36.4Very low90 Ų90117.1 Ų117.174%0.74479%0.791SS**  cis-159.4159.67.900000115
50A31.1Very low35.5Very low90 Ų90119.2 Ų119.274%0.74479%0.79SS**  trans50.6128.7140.100000126.7
51S30.9Very low35.3Very low117 Ų117114.9 Ų114.982%0.81878%0.777SS**  trans72.3123.8136.652.60000124.9
52L32.1Very low34.1Very low166 Ų166116.7 Ų116.787%0.86978%0.78SS**  trans-83.4177.9148.8-73.1170000109.7
53P48.8Very low33.9Very low115 Ų115120.4 Ų120.475%0.74779%0.785SS**  cis-151.2-179.622.146.3-25.8000120.3
54A29.2Very low33.8Very low84 Ų84119.7 Ų119.769%0.69478%0.779SS**  trans72.5143.8139.900000124.5
55S30.2Very low34.7Very low121 Ų121120.9 Ų120.985%0.84678%0.778SS**  trans70.3158156.4750000118.9
56A29.3Very low35.3Very low89 Ų89121.2 Ų121.274%0.73677%0.773SS**  cis-169.4157.3-31.700000109.6
57A31Very low35.2Very low111 Ų111121.2 Ų121.292%0.91777%0.773SS**  trans61.1164.7176.700000115.4
58G27.4Very low33.6Very low53 Ų53127.6 Ų127.655%0.54678%0.783SS.*  cis162.2165.1-9.700000111.2
59Y31.6Very low33.5Very low223 Ų223126.6 Ų126.688%0.87578%0.776SS**  trans60.9131.1172.587.9-93.2000116
60E29.9Very low33.8Very low168 Ų168128.6 Ų128.679%0.78578%0.782SS**  52.914494.2-81.5-154.6117.900116.1
61A29.6Very low33.8Very low70 Ų70135.8 Ų135.858%0.57979%0.79SS**  cis-158.9166.4-1.200000111.3
62L31.1Very low33.7Very low153 Ų153134.5 Ų134.580%0.80179%0.786SS**  trans28.1124.8144.8-56.7168.3000120
63L30.4Very low33.5Very low177 Ų177136.6 Ų136.693%0.92778%0.784SS**  166.7159.2110.4-85.2174.8000112.3
64A29.6Very low32.6Very low87 Ų87137.5 Ų137.572%0.71978%0.782SS**  trans-147.8175.7-177.800000110.5
65P52.4Low32.4Very low125 Ų125138 Ų13881%0.81278%0.78SS**  cis-97.1-90.2-13.420.8-2000112.9
66P42Very low32.5Very low101 Ų101139.1 Ų139.166%0.65678%0.776SS**  cis-127.4-176.6-844.2-27.8000115.7
67L27.8Very low32.6Very low174 Ų174142.5 Ų142.591%0.91178%0.776SS**  trans70.8140.4161-57.3-176.5000122
68R28.9Very low32.3Very low240 Ų240145.9 Ų145.991%0.90677%0.773SS**  trans-118.3-179.8-178-91.9177171.1164.8-2.9109
69P50.1Low32.3Very low104 Ų104147.7 Ų147.768%0.67578%0.783SS**  cis-130.8-159.3-31.735.4-14.4000111.1
70P35.3Very low32Very low133 Ų133141.2 Ų141.286%0.86478%0.776SS**  -135.6-166.199.938.5-26.8000114.8
71R31.8Very low32.2Very low240 Ų240138.9 Ų138.991%0.90678%0.775SS**  trans-122.5143.6-155-115.9178.2160.6147.6-7.9114.4
72A29Very low32.2Very low90 Ų90143.9 Ų143.974%0.74479%0.786SS**  trans64.1159.3147.100000117.8
73Y27.1Very low31.9Very low211 Ų211144 Ų14483%0.82779%0.787SS**  cis-141.3172.527.3-146.1-96000114.8
74L30.1Very low31.9Very low133 Ų133144 Ų14470%0.69678%0.781SS**  trans-71.7169.5-174.8-59.4156000112.6
75S26.4Very low32Very low94 Ų94145.7 Ų145.766%0.65778%0.778SS**  cis-156.6148.337-670000112.5
76L30.7Very low31Very low146 Ų146145.9 Ų145.976%0.76478%0.779SS**  52.1139.499.4-45166.1000115.4
77H31.5Very low31Very low159 Ų159149.4 Ų149.474%0.73678%0.779SS**  cis-141.8-174.35.4-142.2-141.2000108.1
78E25.9Very low31.6Very low182 Ų182144.7 Ų144.785%0.8576%0.755SS**  cis-159.2144.737.1-168.6171.2158.600111.7
79A27.1Very low32.3Very low91 Ų91137.1 Ų137.175%0.75274%0.737SS**  trans-147.3149.9-176.200000113.1
80A25.9Very low32.1Very low87 Ų87136.7 Ų136.772%0.71973%0.729SS**  trans-120.1151.7177.500000111.8
81P32.6Very low32.8Very low119 Ų119131.4 Ų131.477%0.77370%0.696SS**  trans-92.1123.6-154.133-35.6000115.6
82H29.5Very low33.7Very low176 Ų176121.2 Ų121.282%0.81566%0.659SS**  trans-82.8112.3161.4-74.8-93000110.6H84H82-H84 PolarHBondContact O-N 3.43Å
83L26.2Very low34.7Very low155 Ų155122.6 Ų122.681%0.81265%0.651SS**  trans-74.187.5175.1-72.8171.7000111.3L85L83-L85 PolarHBondContact O-N 3.4Å
84H29.2Very low36.1Very low176 Ų176119.6 Ų119.682%0.81564%0.638SS**  trans-66.2109.4162.4-94.9-98.8000109.9H82H82-H84 PolarHBondContact O-N 3.43Å
85L32.3Very low37.3Very low123 Ų123116 Ų11664%0.64462%0.616SS**  trans-69.3154.3159.6-98.573.9000109.6L83 R87L83-L85 PolarHBondContact O-N 3.4Å; L85-R87 PolarHBondContact O-N 2.75Å
86P32.3Very low38.7Very low129 Ų129113.5 Ų113.584%0.83860%0.599SS**  trans-55.1114.8168.9-24.535000110.7D88P86-D88 PolarHBondContact O-N 3.23Å; P86-D88 VanDerWaalsContact O-N 3.14Å
87R40.8Very low39.7Very low176 Ų176109.6 Ų109.666%0.66459%0.588SS**  trans-8091.3179.3-177.9-178.1-173.2164.71.5108.5L85 P89L85-R87 PolarHBondContact O-N 2.75Å; R87-P89 WeakPolarHBondContact O-CD 3.44Å
88D41.2Very low40.8Very low74 Ų74105 Ų10540%0.39657%0.571SS.*  trans-65.4111.9168.8179-4.5000109.2P86 L90 A91 R130P86-D88 PolarHBondContact O-N 3.23Å; P86-D88 VanDerWaalsContact O-N 3.14Å; D88-L90 WeakPolarHBondContact OD1-CA 3.33Å; D88-L90 WeakPolarHBondContact OD1-CB 3.39Å; D88-L90 PolarHBondContact OD1-N 3.45Å; D88-A91 HydrophobicContact CB-CB 4Å; D88-A91 PolarHBondContact OD1-N 2.76Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; D88-R130 PolarHBondContact O-NH2 3.13Å
89P43.1Very low42.1Very low81 Ų8196.7 Ų96.753%0.52653%0.533SS..Hα-helixtrans-75.9-32.5177.532.7-32.7000111.2R87 A91 L92 E93R87-P89 WeakPolarHBondContact O-CD 3.44Å; P89-A91 VanDerWaalsContact C-N 3.29Å; P89-A91 PolarHBondContact O-N 2.87Å; P89-L92 WeakPolarHBondContact O-CA 3.3Å; P89-L92 WeakPolarHBondContact O-CB 3.42Å; P89-L92 PolarHBondContact O-N 2.67Å; P89-E93 PolarHBondContact O-N 3.21Å
90L46.8Very low43.2Very low96 Ų9696.1 Ų96.150%0.50353%0.529SS..Hα-helixtrans-68.6-29.9-178.9-55.2178.3000111.4D88 R94D88-L90 WeakPolarHBondContact OD1-CA 3.33Å; D88-L90 WeakPolarHBondContact OD1-CB 3.39Å; D88-L90 PolarHBondContact OD1-N 3.45Å; L90-R94 VanDerWaalsContact O-CB 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.43Å; L90-R94 WeakPolarHBondContact O-CD 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.4Å; L90-R94 PolarHBondContact O-N 3.31Å
91A48.9Very low44.4Very low22 Ų2296.2 Ų96.218%0.18253%0.529CS..Hα-helixtrans-63.1-42.3168.200000112D88 P89 F95D88-A91 HydrophobicContact CB-CB 4Å; D88-A91 PolarHBondContact OD1-N 2.76Å; D88-A91 WeakPolarHBondContact OD2-CB 3.47Å; P89-A91 VanDerWaalsContact C-N 3.29Å; P89-A91 PolarHBondContact O-N 2.87Å; A91-F95 WeakPolarHBondContact O-CD2 3.47Å; A91-F95 PolarHBondContact O-N 3.08Å; A91-F95 VanDerWaalsContact O-N 3.15Å
92L52.1Low45.5Very low25 Ų2591.4 Ų91.413%0.13150%0.5CS..Hα-helixtrans-67.7-47177.8-176.562000110.6P89 R94 F95 S96 L109 P114P89-L92 WeakPolarHBondContact O-CA 3.3Å; P89-L92 WeakPolarHBondContact O-CB 3.42Å; P89-L92 PolarHBondContact O-N 2.67Å; L92-R94 PolarHBondContact O-N 2.68Å; L92-F95 PolarHBondContact O-N 2.82Å; L92-F95 VanDerWaalsContact O-N 3.14Å; L92-S96 PolarHBondContact O-N 2.62Å; L92-S96 PolarHBondContact O-OG 2.95Å; L92-L109 HydrophobicContact CD1-CD2 4.42Å; L92-L109 HydrophobicContact CD2-CD2 4.12Å; L92-P114 HydrophobicContact CD1-CB 4.15Å; L92-P114 HydrophobicContact CD1-CG 4.4Å
93E49.9Very low46.5Very low120 Ų12088.5 Ų88.556%0.56150%0.497SS*.Hα-helixtrans-58.8-42.4176.5-73.9-53.6114.300112.8P89 F95 S96 A97P89-E93 PolarHBondContact O-N 3.21Å; E93-F95 PolarHBondContact O-N 3.36Å; E93-S96 PolarHBondContact O-N 3.22Å; E93-A97 VanDerWaalsContact O-CB 3.32Å; E93-A97 WeakPolarHBondContact O-CB 3.28Å; E93-A97 PolarHBondContact O-N 2.82Å
94R56.1Low47.9Very low148 Ų14884.8 Ų84.856%0.55848%0.478SS*.Hα-helixtrans-64.1-38.3175.4-72.2169.2-169.2128.3-1.6112.5L90 L92 T98L90-R94 VanDerWaalsContact O-CB 3.32Å; L90-R94 WeakPolarHBondContact O-CB 3.43Å; L90-R94 WeakPolarHBondContact O-CD 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.4Å; L90-R94 PolarHBondContact O-N 3.31Å; L92-R94 PolarHBondContact O-N 2.68Å; R94-T98 VanDerWaalsContact O-CB 3.29Å; R94-T98 WeakPolarHBondContact O-CB 3.37Å; R94-T98 PolarHBondContact O-N 2.8Å; R94-T98 PolarHBondContact O-OG1 3.46Å
95F55.6Low49.5Very low56 Ų5677 Ų7725%0.24644%0.442CS..Hα-helixtrans-68.5-41172.7-82.9-62.2000112A91 L92 E93 A99 V129A91-F95 WeakPolarHBondContact O-CD2 3.47Å; A91-F95 PolarHBondContact O-N 3.08Å; A91-F95 VanDerWaalsContact O-N 3.15Å; L92-F95 PolarHBondContact O-N 2.82Å; L92-F95 VanDerWaalsContact O-N 3.14Å; E93-F95 PolarHBondContact O-N 3.36Å; F95-A99 WeakPolarHBondContact O-CB 3.49Å; F95-A99 PolarHBondContact O-N 2.95Å; F95-V129 HydrophobicContact CD1-CG1 4.15Å; F95-V129 HydrophobicContact CE1-CG1 3.58Å; F95-V129 HydrophobicContact CE2-CG1 4.38Å; F95-V129 HydrophobicContact CZ-CG1 3.72Å
96S54.2Low50.8Low43 Ų4377.6 Ų77.630%0.30144%0.441SS..Hα-helixtrans-63.3-45.1175.8-64.50000112.2L92 E93 A99 A100L92-S96 PolarHBondContact O-N 2.62Å; L92-S96 PolarHBondContact O-OG 2.95Å; E93-S96 PolarHBondContact O-N 3.22Å; S96-A99 PolarHBondContact O-N 3.38Å; S96-A100 WeakPolarHBondContact O-CB 3.18Å; S96-A100 PolarHBondContact O-N 2.97Å
97A52.6Low52.4Low63 Ų6373.2 Ų73.252%0.52141%0.413SS..Hα-helixtrans-67.4-41.1177.800000112.4E93 A99 A100 A101E93-A97 VanDerWaalsContact O-CB 3.32Å; E93-A97 WeakPolarHBondContact O-CB 3.28Å; E93-A97 PolarHBondContact O-N 2.82Å; A97-A99 VanDerWaalsContact C-N 3.27Å; A97-A99 PolarHBondContact O-N 2.83Å; A97-A100 PolarHBondContact O-N 2.82Å; A97-A101 PolarHBondContact O-N 2.89Å; A97-A101 VanDerWaalsContact O-N 3.17Å
98T54.6Low54Low62 Ų6269.1 Ų69.138%0.3840%0.403SS..Hα-helixtrans-67.7-29.4175.3-52.30000111.7R94 I184R94-T98 VanDerWaalsContact O-CB 3.29Å; R94-T98 WeakPolarHBondContact O-CB 3.37Å; R94-T98 PolarHBondContact O-N 2.8Å; R94-T98 PolarHBondContact O-OG1 3.46Å; T98-I184 HydrophobicContact CG2-CG1 4.35Å
99A53.1Low55.6Low8 Ų870.3 Ų70.37%0.06641%0.409CS..Hα-helixtrans-77.3-39.3173.100000112.4F95 S96 A97 A101 A102 F105 P107F95-A99 WeakPolarHBondContact O-CB 3.49Å; F95-A99 PolarHBondContact O-N 2.95Å; S96-A99 PolarHBondContact O-N 3.38Å; A97-A99 VanDerWaalsContact C-N 3.27Å; A97-A99 PolarHBondContact O-N 2.83Å; A99-A101 PolarHBondContact O-N 3.41Å; A99-A102 CarbonylContact O-C 3.38Å; A99-A102 VanDerWaalsContact O-C 3.28Å; A99-A102 WeakPolarHBondContact O-CA 3.31Å; A99-A102 PolarHBondContact O-N 3.36Å; A99-F105 HydrophobicContact CB-CB 4.16Å; A99-P107 HydrophobicContact CB-CG 4.38Å
100A50Low57.1Low80 Ų8068.6 Ų68.666%0.66140%0.396SS*.Hα-helixtrans-60.9-31.4175.700000112.6S96 A97 A102S96-A100 WeakPolarHBondContact O-CB 3.18Å; S96-A100 PolarHBondContact O-N 2.97Å; A97-A100 PolarHBondContact O-N 2.82Å; A100-A102 PolarHBondContact O-N 3.26Å; A100-A102 VanDerWaalsContact O-N 3.12Å
101A50.4Low58.2Low88 Ų8871 Ų7173%0.72741%0.409SS*.THydrogen-bonded Turntrans-66.5-2.9170.900000114.5A97 A99A97-A101 PolarHBondContact O-N 2.89Å; A97-A101 VanDerWaalsContact O-N 3.17Å; A99-A101 PolarHBondContact O-N 3.41Å
102A55.9Low59.2Low19 Ų1971.1 Ų71.116%0.15741%0.413CS..SBendtrans-145.490.5177.400000110.6A99 A100 D104 F105 I184A99-A102 CarbonylContact O-C 3.38Å; A99-A102 VanDerWaalsContact O-C 3.28Å; A99-A102 WeakPolarHBondContact O-CA 3.31Å; A99-A102 PolarHBondContact O-N 3.36Å; A100-A102 PolarHBondContact O-N 3.26Å; A100-A102 VanDerWaalsContact O-N 3.12Å; A102-D104 PolarHBondContact O-N 2.84Å; A102-F105 HydrophobicContact CB-CD2 3.91Å; A102-F105 PolarHBondContact O-N 2.75Å; A102-I184 HydrophobicContact CB-CD1 4.46Å
103P51Low60.4Low114 Ų11472.5 Ų72.574%0.7442%0.418SS*.THydrogen-bonded Turntrans-58.3-17.8-163.421.1-34.4000116.2F105P103-F105 VanDerWaalsContact C-N 3.26Å; P103-F105 PolarHBondContact O-N 2.98Å
104D55.8Low62Low78 Ų7866.8 Ų66.842%0.41739%0.392SS..THydrogen-bonded Turntrans-68.1-22171.5-54.9-73.7000113.7A102 Q106 K172 K174A102-D104 PolarHBondContact O-N 2.84Å; D104-Q106 PolarHBondContact O-N 2.95Å; D104-K172 WeakPolarHBondContact O-CD 3.33Å; D104-K172 WeakPolarHBondContact O-CE 3.49Å; D104-K172 PolarHBondContact O-NZ 2.9Å; D104-K174 IonicContact OD2-NZ 3.89Å; D104-K174 PolarHBondContact OD2-NZ 3.46Å
105F63.1Low63.5Low13 Ų1359.8 Ų59.86%0.05737%0.365CS..  trans-9397.8-175.2-73.9-81.3000111.5A99 A102 P103 P107 H171 K174 L179 I184A99-F105 HydrophobicContact CB-CB 4.16Å; A102-F105 HydrophobicContact CB-CD2 3.91Å; A102-F105 PolarHBondContact O-N 2.75Å; P103-F105 VanDerWaalsContact C-N 3.26Å; P103-F105 PolarHBondContact O-N 2.98Å; F105-P107 WeakPolarHBondContact O-CD 3.35Å; F105-H171 AromaticContact CD1-CD2 3.76Å; F105-H171 AromaticContact CD1-NE2 3.9Å; F105-H171 HydrophobicContact CE1-CB 4.39Å; F105-H171 AromaticContact CE1-CD2 3.19Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.48Å; F105-H171 AromaticContact CE1-CG 3.93Å; F105-H171 AromaticContact CE1-NE2 3.83Å; F105-H171 AromaticContact CZ-CD2 3.78Å; F105-K174 HydrophobicContact CE2-CD 3.89Å; F105-K174 HydrophobicContact CZ-CD 3.9Å; F105-L179 HydrophobicContact CE1-CD1 3.6Å; F105-L179 HydrophobicContact CE1-CD2 3.74Å; F105-L179 HydrophobicContact CE1-CG 4.29Å; F105-L179 HydrophobicContact CE2-CD2 4.05Å; F105-L179 HydrophobicContact CZ-CD1 3.99Å; F105-L179 HydrophobicContact CZ-CD2 3.24Å; F105-L179 HydrophobicContact CZ-CG 4.24Å; F105-I184 HydrophobicContact CD1-CG2 4.39Å; F105-I184 HydrophobicContact CD2-CD1 4.15Å; F105-I184 HydrophobicContact CE2-CD1 4.3Å
106Q59.8Low65.2Low135 Ų13557.5 Ų57.563%0.63136%0.356SS*.  trans-106.1105.7168.9-72.6172.5-2400108D104 L108D104-Q106 PolarHBondContact O-N 2.95Å; Q106-L108 PolarHBondContact O-N 2.82Å
107P65.6Low67Low37 Ų3758.6 Ų58.624%0.2436%0.356CS..  trans-70.1122.2171.628.4-31.8000109.5A99 F105 C115A99-P107 HydrophobicContact CB-CG 4.38Å; F105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-C115 CarbonylContact C-O 3.56Å; P107-C115 VanDerWaalsContact CA-O 3.32Å; P107-C115 WeakPolarHBondContact CA-O 3.41Å
108L74.9Confident68.9Low89 Ų8955.7 Ų55.747%0.46633%0.332SS..EExtended strand (participates in β ladder)trans-76.5129.8171.6-67.6160.3000108.4Q106 D110 C115 E117 L126Q106-L108 PolarHBondContact O-N 2.82Å; L108-D110 PolarHBondContact O-N 3.04Å; L108-C115 HydrophobicContact CB-CB 4.48Å; L108-C115 PolarHBondContact N-O 3.22Å; L108-C115 WeakPolarHBondContact O-CA 2.96Å; L108-C115 WeakPolarHBondContact O-CB 3.45Å; L108-C115 PolarHBondContact O-N 2.9Å; L108-E117 HydrophobicContact CD1-CB 4.2Å; L108-L126 HydrophobicContact CD1-CD2 4.08Å
109L74.8Confident70.8Confident100 Ų10055.9 Ų55.952%0.52433%0.329SS..EExtended strand (participates in β ladder)trans-92.191.4173.8-71.590.1000110.2L92L92-L109 HydrophobicContact CD1-CD2 4.42Å; L92-L109 HydrophobicContact CD2-CD2 4.12Å
110D73.3Confident72.6Confident45 Ų4555.6 Ų55.624%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-81.6116.4167.9178.368.5000109L108 G112 E113 Y128 R142L108-D110 PolarHBondContact O-N 3.04Å; D110-G112 PolarHBondContact O-N 3.43Å; D110-E113 PolarHBondContact N-O 3.41Å; D110-E113 PolarHBondContact O-N 3.36Å; D110-Y128 HydrophobicContact CB-CE1 4.25Å; D110-Y128 VanDerWaalsContact CG-OH 3.3Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.47Å; D110-Y128 PolarHBondContact OD2-OH 3.26Å; D110-R142 IonicContact OD2-NH1 2.73Å; D110-R142 PolarHBondContact OD2-NH1 2.9Å
111N69.8Low74.4Confident145 Ų14553.8 Ų53.878%0.77532%0.315SS*.THydrogen-bonded Turntrans53.626.9178.6-58.3-72.3000114.6
112G70.9Confident76.2Confident26 Ų2654.4 Ų54.427%0.26832%0.32SS..THydrogen-bonded Turntrans84.31.9-176.800000115.6D110D110-G112 PolarHBondContact O-N 3.43Å
113E77.2Confident77.9Confident53 Ų5354.8 Ų54.825%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-94.6133.8172.4-77.8-77.39800111.2D110 C115 Y128 R130D110-E113 PolarHBondContact N-O 3.41Å; D110-E113 PolarHBondContact O-N 3.36Å; E113-C115 PolarHBondContact O-N 3.46Å; E113-C115 PolarHBondContact O-SG 3.07Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.31Å; E113-R130 WeakPolarHBondContact OE1-CD 3.34Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.82Å; E113-R130 IonicContact OE1-NH1 3.17Å; E113-R130 PolarHBondContact OE1-NH1 3.16Å
114P82.4Confident79.9Confident1 Ų157.1 Ų57.11%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-72.4117.8178.129.4-33.6000111.2L92 V129 R130L92-P114 HydrophobicContact CD1-CB 4.15Å; L92-P114 HydrophobicContact CD1-CG 4.4Å; P114-V129 PolarHBondContact O-N 2.84Å; P114-R130 HydrophobicContact CG-CG 3.96Å
115C89.3Confident81.7Confident0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-121.9154.2-177.9-56.10000110.7P107 L108 E113 L127 Y128P107-C115 CarbonylContact C-O 3.56Å; P107-C115 VanDerWaalsContact CA-O 3.32Å; P107-C115 WeakPolarHBondContact CA-O 3.41Å; L108-C115 HydrophobicContact CB-CB 4.48Å; L108-C115 PolarHBondContact N-O 3.22Å; L108-C115 WeakPolarHBondContact O-CA 2.96Å; L108-C115 WeakPolarHBondContact O-CB 3.45Å; L108-C115 PolarHBondContact O-N 2.9Å; E113-C115 PolarHBondContact O-N 3.46Å; E113-C115 PolarHBondContact O-SG 3.07Å; C115-L127 CarbonylContact C-O 3.47Å; C115-L127 VanDerWaalsContact CA-O 3.28Å; C115-L127 WeakPolarHBondContact CA-O 3.45Å; C115-Y128 WeakPolarHBondContact SG-CD1 3.38Å; C115-Y128 WeakPolarHBondContact SG-CE1 3.4Å
116I90.3Very high83.1Confident9 Ų955.6 Ų55.65%0.04631%0.307CS..EExtended strand (participates in β ladder)trans-126.6140.3165.663.6168.3000109.8V118 L127 V129 H171 L179 L185I116-V118 HydrophobicContact CD1-CG1 4.27Å; I116-V118 HydrophobicContact CG1-CG1 4.12Å; I116-V118 PolarHBondContact O-N 3.18Å; I116-L127 HydrophobicContact CD1-CD2 4.24Å; I116-L127 HydrophobicContact CG1-CB 4.12Å; I116-L127 HydrophobicContact CG1-CD2 4.2Å; I116-L127 HydrophobicContact CG1-CG 4.32Å; I116-L127 PolarHBondContact N-O 3.47Å; I116-L127 PolarHBondContact O-N 2.73Å; I116-V129 HydrophobicContact CG2-CG2 4.33Å; I116-H171 HydrophobicContact CD1-CB 4.23Å; I116-L179 HydrophobicContact CD1-CD1 4.14Å; I116-L185 HydrophobicContact CD1-CD1 3.98Å; I116-L185 HydrophobicContact CD1-CD2 4.17Å
117E92Very high84.6Confident66 Ų6649.2 Ų49.231%0.30828%0.277SS..EExtended strand (participates in β ladder)trans-72.2126.5174-173.6177.4-155.900110L108 R124 A125 L126 H171L108-E117 HydrophobicContact CD1-CB 4.2Å; E117-R124 IonicContact OE1-CZ 2.56Å; E117-R124 IonicContact OE1-NE 3.38Å; E117-R124 PolarHBondContact OE1-NE 2.74Å; E117-R124 IonicContact OE1-NH2 2.92Å; E117-R124 PolarHBondContact OE1-NH2 2.79Å; E117-R124 IonicContact OE2-CZ 3.55Å; E117-R124 IonicContact OE2-NE 3.69Å; E117-R124 IonicContact OE2-NH2 2.72Å; E117-R124 PolarHBondContact OE2-NH2 2.97Å; E117-A125 CarbonylContact C-O 3.28Å; E117-A125 WeakPolarHBondContact CA-O 3.17Å; E117-L126 HydrophobicContact CB-CD2 4.2Å; E117-L126 HydrophobicContact CG-CD2 4.48Å; E117-H171 PolarHBondContact O-ND1 3.11Å
118V93Very high85.8Confident1 Ų147.6 Ų47.61%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-118.3140.5180-67.60000112I116 R124 A125 L127 I141 F153 I169 R170 L176I116-V118 HydrophobicContact CD1-CG1 4.27Å; I116-V118 HydrophobicContact CG1-CG1 4.12Å; I116-V118 PolarHBondContact O-N 3.18Å; V118-R124 CarbonylContact O-C 3.58Å; V118-R124 WeakPolarHBondContact O-CA 3.34Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 PolarHBondContact N-O 3.11Å; V118-A125 PolarHBondContact O-N 3.21Å; V118-L127 HydrophobicContact CB-CB 4.39Å; V118-L127 HydrophobicContact CG1-CB 3.63Å; V118-L127 HydrophobicContact CG1-CD2 3.77Å; V118-L127 HydrophobicContact CG1-CG 4.37Å; V118-L127 HydrophobicContact CG2-CB 3.82Å; V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.23Å; V118-F153 HydrophobicContact CG2-CE1 4.01Å; V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.12Å; V118-I169 HydrophobicContact CG2-CG2 4.11Å; V118-R170 CarbonylContact C-O 3.51Å; V118-R170 WeakPolarHBondContact CA-O 3.43Å; V118-R170 WeakPolarHBondContact CB-O 3.37Å; V118-L176 HydrophobicContact CG1-CD2 4.01Å
119E93.7Very high86.3Confident67 Ų6743.9 Ų43.931%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-111.7142.4178.370.6-155.7146.600110.2N123 I169 R170 K172 G173E119-N123 CarbonylContact C-O 3.55Å; E119-N123 WeakPolarHBondContact CA-O 3.38Å; E119-I169 WeakPolarHBondContact O-CA 3.02Å; E119-R170 HydrophobicContact CG-CB 3.69Å; E119-R170 PolarHBondContact N-O 3.49Å; E119-R170 PolarHBondContact O-N 3.43Å; E119-R170 WeakPolarHBondContact OE1-CB 3.5Å; E119-K172 PolarHBondContact OE1-N 3.5Å; E119-G173 WeakPolarHBondContact OE1-CA 3.32Å; E119-G173 PolarHBondContact OE1-N 3.32Å
120C92Very high86.6Confident1 Ų142 Ų421%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-143.5108.8172.4-162.50000108.6A122 N123 F153 S157 S168 I169C120-A122 PolarHBondContact O-N 3.28Å; C120-A122 VanDerWaalsContact O-N 3.15Å; C120-N123 PolarHBondContact N-O 2.96Å; C120-N123 PolarHBondContact O-N 3.1Å; C120-N123 VanDerWaalsContact O-N 3.09Å; C120-F153 HydrophobicContact CB-CD1 4.01Å; C120-F153 HydrophobicContact CB-CE1 3.44Å; C120-F153 VanDerWaalsContact CB-CE1 3.44Å; C120-F153 HydrophobicContact CB-CZ 3.81Å; C120-S157 VanDerWaalsContact O-CB 3.28Å; C120-S157 WeakPolarHBondContact O-CB 3.35Å; C120-S157 PolarHBondContact O-OG 3.04Å; C120-S168 PolarHBondContact SG-O 2.62Å; C120-S168 VanDerWaalsContact SG-O 3.32Å; C120-I169 HydrophobicContact CB-CG1 4.18Å
121G87.7Confident87Confident43 Ų4343.7 Ų43.744%0.44324%0.238SC..THydrogen-bonded Turntrans61.4-119.7-168.800000110.6
122A87.6Confident87.7Confident101 Ų10136.9 Ų36.984%0.83520%0.202SC*.THydrogen-bonded Turntrans-96.3-9.3176.400000114.2C120C120-A122 PolarHBondContact O-N 3.28Å; C120-A122 VanDerWaalsContact O-N 3.15Å
123N92.6Very high88.1Confident27 Ų2736.3 Ų36.314%0.14419%0.193CC..EExtended strand (participates in β ladder)trans-84.9140.9180-73.1-34.9000111.3E119 C120 R144 F153 V156 S157E119-N123 CarbonylContact C-O 3.55Å; E119-N123 WeakPolarHBondContact CA-O 3.38Å; C120-N123 PolarHBondContact N-O 2.96Å; C120-N123 PolarHBondContact O-N 3.1Å; C120-N123 VanDerWaalsContact O-N 3.09Å; N123-R144 PolarHBondContact OD1-NH2 3.41Å; N123-F153 HydrophobicContact CB-CE2 3.9Å; N123-F153 HydrophobicContact CB-CZ 4.19Å; N123-V156 PolarHBondContact ND2-O 3.18Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.29Å; N123-S157 PolarHBondContact ND2-OG 3.35Å
124R92.7Very high88.1Confident163 Ų16335.7 Ų35.762%0.61519%0.191SC*.EExtended strand (participates in β ladder)trans-116.6140.5172.4-67.216866.9160.23.6109.6E117 V118 H143E117-R124 IonicContact OE1-CZ 2.56Å; E117-R124 IonicContact OE1-NE 3.38Å; E117-R124 PolarHBondContact OE1-NE 2.74Å; E117-R124 IonicContact OE1-NH2 2.92Å; E117-R124 PolarHBondContact OE1-NH2 2.79Å; E117-R124 IonicContact OE2-CZ 3.55Å; E117-R124 IonicContact OE2-NE 3.69Å; E117-R124 IonicContact OE2-NH2 2.72Å; E117-R124 PolarHBondContact OE2-NH2 2.97Å; V118-R124 CarbonylContact O-C 3.58Å; V118-R124 WeakPolarHBondContact O-CA 3.34Å; R124-H143 PolarHBondContact O-CD2 3.14Å
125A93.6Very high88.2Confident7 Ų735.9 Ų35.96%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-152.3169-176.700000111.5E117 V118 I141 R142 H143 F153E117-A125 CarbonylContact C-O 3.28Å; E117-A125 WeakPolarHBondContact CA-O 3.17Å; V118-A125 HydrophobicContact CG2-CB 4.28Å; V118-A125 PolarHBondContact N-O 3.11Å; V118-A125 PolarHBondContact O-N 3.21Å; A125-I141 HydrophobicContact CB-CG2 3.45Å; A125-I141 VanDerWaalsContact CB-CG2 3.45Å; A125-R142 WeakPolarHBondContact CB-O 3.32Å; A125-H143 HydrophobicContact CB-CB 3.85Å; A125-F153 HydrophobicContact CB-CD2 4.13Å; A125-F153 HydrophobicContact CB-CE1 4.21Å; A125-F153 HydrophobicContact CB-CE2 3.5Å; A125-F153 HydrophobicContact CB-CZ 3.55Å
126L92.8Very high87.9Confident52 Ų5238 Ų3827%0.27221%0.208SC..EExtended strand (participates in β ladder)trans-105.4116.9178.5-64.2176.4000110.9L108 E117 Y128 I141 R142L108-L126 HydrophobicContact CD1-CD2 4.08Å; E117-L126 HydrophobicContact CB-CD2 4.2Å; E117-L126 HydrophobicContact CG-CD2 4.48Å; L126-Y128 HydrophobicContact CB-CE2 4.1Å; L126-Y128 WeakPolarHBondContact O-CD2 3.35Å; L126-I141 CarbonylContact O-C 3.56Å; L126-I141 WeakPolarHBondContact O-CA 3.14Å; L126-R142 PolarHBondContact N-O 3.14Å; L126-R142 PolarHBondContact O-N 3.19Å
127L91.3Very high87.5Confident0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-92.2116.8175169.859.3000110C115 I116 V118 V129 L132 I141 L176 L185C115-L127 CarbonylContact C-O 3.47Å; C115-L127 VanDerWaalsContact CA-O 3.28Å; C115-L127 WeakPolarHBondContact CA-O 3.45Å; I116-L127 HydrophobicContact CD1-CD2 4.24Å; I116-L127 HydrophobicContact CG1-CB 4.12Å; I116-L127 HydrophobicContact CG1-CD2 4.2Å; I116-L127 HydrophobicContact CG1-CG 4.32Å; I116-L127 PolarHBondContact N-O 3.47Å; I116-L127 PolarHBondContact O-N 2.73Å; V118-L127 HydrophobicContact CB-CB 4.39Å; V118-L127 HydrophobicContact CG1-CB 3.63Å; V118-L127 HydrophobicContact CG1-CD2 3.77Å; V118-L127 HydrophobicContact CG1-CG 4.37Å; V118-L127 HydrophobicContact CG2-CB 3.82Å; L127-V129 PolarHBondContact O-N 2.92Å; L127-L132 HydrophobicContact CD1-CB 4.36Å; L127-L132 HydrophobicContact CD1-CD1 4.14Å; L127-L132 HydrophobicContact CD1-CD2 4.43Å; L127-L132 HydrophobicContact CD2-CD2 4.23Å; L127-I141 HydrophobicContact CB-CG1 4.24Å; L127-I141 HydrophobicContact CD1-CG1 3.77Å; L127-L176 HydrophobicContact CD2-CD1 3.92Å; L127-L176 HydrophobicContact CD2-CD2 3.94Å; L127-L185 HydrophobicContact CD2-CD1 4.3Å
128Y89.1Confident87.2Confident4 Ų442.5 Ų42.52%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-84.8111.2179.3-70.2-111.4000108.7D110 E113 C115 L126 R130 K131 L132 S140 R142 W147D110-Y128 HydrophobicContact CB-CE1 4.25Å; D110-Y128 VanDerWaalsContact CG-OH 3.3Å; D110-Y128 WeakPolarHBondContact OD2-CE1 3.47Å; D110-Y128 PolarHBondContact OD2-OH 3.26Å; E113-Y128 HydrophobicContact CB-CD1 4Å; E113-Y128 HydrophobicContact CB-CE1 4.31Å; C115-Y128 WeakPolarHBondContact SG-CD1 3.38Å; C115-Y128 WeakPolarHBondContact SG-CE1 3.4Å; L126-Y128 HydrophobicContact CB-CE2 4.1Å; L126-Y128 WeakPolarHBondContact O-CD2 3.35Å; Y128-R130 VanDerWaalsContact C-N 3.33Å; Y128-R130 PolarHBondContact O-N 3.31Å; Y128-K131 HydrophobicContact CG-CD 4.36Å; Y128-K131 PolarHBondContact O-N 3.41Å; Y128-L132 PolarHBondContact O-N 3.06Å; Y128-S140 PolarHBondContact N-O 3.18Å; Y128-R142 HydrophobicContact CD2-CB 4.35Å; Y128-R142 HydrophobicContact CE2-CB 3.61Å; Y128-R142 HydrophobicContact CE2-CG 4.46Å; Y128-R142 VanDerWaalsContact OH-CD 3.28Å; Y128-R142 WeakPolarHBondContact OH-CD 3.4Å; Y128-R142 PolarHBondContact OH-NH1 2.82Å; Y128-W147 AromaticContact CD1-CH2 3.8Å; Y128-W147 HydrophobicContact CD1-CH2 3.8Å; Y128-W147 HydrophobicContact CD1-CZ3 4.5Å; Y128-W147 AromaticContact CD2-CH2 3.34Å; Y128-W147 HydrophobicContact CD2-CH2 3.34Å; Y128-W147 AromaticContact CD2-CZ3 3.44Å; Y128-W147 HydrophobicContact CD2-CZ3 3.44Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.44Å; Y128-W147 AromaticContact CE1-CH2 3.79Å; Y128-W147 HydrophobicContact CE1-CH2 3.79Å; Y128-W147 HydrophobicContact CE1-CZ2 4.48Å; Y128-W147 AromaticContact CE2-CH2 3.34Å; Y128-W147 HydrophobicContact CE2-CH2 3.34Å; Y128-W147 HydrophobicContact CE2-CZ2 4.21Å; Y128-W147 AromaticContact CE2-CZ3 3.79Å; Y128-W147 HydrophobicContact CE2-CZ3 3.79Å; Y128-W147 AromaticContact CG-CH2 3.6Å; Y128-W147 HydrophobicContact CG-CH2 3.6Å; Y128-W147 AromaticContact CG-CZ3 3.85Å; Y128-W147 HydrophobicContact CG-CZ3 3.85Å; Y128-W147 AromaticContact CZ-CH2 3.57Å
129V86.4Confident87Confident11 Ų1144.4 Ų44.47%0.06724%0.239CC..G310 helixtrans-62-42.5-169.4-178.90000111F95 P114 I116 L127 K131 L132 L185F95-V129 HydrophobicContact CD1-CG1 4.15Å; F95-V129 HydrophobicContact CE1-CG1 3.58Å; F95-V129 HydrophobicContact CE2-CG1 4.38Å; F95-V129 HydrophobicContact CZ-CG1 3.72Å; P114-V129 PolarHBondContact O-N 2.84Å; I116-V129 HydrophobicContact CG2-CG2 4.33Å; L127-V129 PolarHBondContact O-N 2.92Å; V129-K131 PolarHBondContact O-N 2.99Å; V129-K131 VanDerWaalsContact O-N 3.15Å; V129-L132 WeakPolarHBondContact O-CB 3.41Å; V129-L132 PolarHBondContact O-N 3.03Å; V129-L132 VanDerWaalsContact O-N 3.16Å; V129-L185 HydrophobicContact CB-CD2 4.42Å; V129-L185 HydrophobicContact CG1-CD2 3.8Å; V129-L185 HydrophobicContact CG2-CD2 3.87Å
130R79.9Confident86.9Confident60 Ų6041.2 Ų41.223%0.22622%0.224CC..G310 helixtrans-64-13.7175.4-73.4177.4176.1170.6-5.8114.8D88 E113 P114 Y128 C133D88-R130 PolarHBondContact O-NH2 3.13Å; E113-R130 WeakPolarHBondContact OE1-CD 3.34Å; E113-R130 IonicContact OE1-CZ 2.79Å; E113-R130 IonicContact OE1-NE 3.82Å; E113-R130 IonicContact OE1-NH1 3.17Å; E113-R130 PolarHBondContact OE1-NH1 3.16Å; P114-R130 HydrophobicContact CG-CG 3.96Å; Y128-R130 VanDerWaalsContact C-N 3.33Å; Y128-R130 PolarHBondContact O-N 3.31Å; R130-C133 PolarHBondContact O-SG 3.14Å; R130-C133 VanDerWaalsContact O-SG 3.33Å
131K82.6Confident86.9Confident81 Ų8141.2 Ų41.235%0.35222%0.224SC..G310 helixtrans-101.8-10.6177.7-59.1-173.7-175.4-177.90113.1Y128 V129 C133 S140 W147Y128-K131 HydrophobicContact CG-CD 4.36Å; Y128-K131 PolarHBondContact O-N 3.41Å; V129-K131 PolarHBondContact O-N 2.99Å; V129-K131 VanDerWaalsContact O-N 3.15Å; K131-C133 PolarHBondContact O-N 3.2Å; K131-S140 WeakPolarHBondContact O-CB 3.42Å; K131-W147 HydrophobicContact CD-CE3 4.5Å; K131-W147 HydrophobicContact CD-CH2 3.83Å; K131-W147 HydrophobicContact CD-CZ3 3.67Å; K131-W147 VanDerWaalsContact NZ-CZ2 3.33Å
132L84.5Confident87.1Confident1 Ų143.3 Ų43.31%0.00522%0.218CC..G310 helixtrans-70.5-5.6179-172.856000113.5L127 Y128 V129 Q134 G135 P150 W165 L185 V187L127-L132 HydrophobicContact CD1-CB 4.36Å; L127-L132 HydrophobicContact CD1-CD1 4.14Å; L127-L132 HydrophobicContact CD1-CD2 4.43Å; L127-L132 HydrophobicContact CD2-CD2 4.23Å; Y128-L132 PolarHBondContact O-N 3.06Å; V129-L132 WeakPolarHBondContact O-CB 3.41Å; V129-L132 PolarHBondContact O-N 3.03Å; V129-L132 VanDerWaalsContact O-N 3.16Å; L132-Q134 PolarHBondContact O-N 3.26Å; L132-G135 PolarHBondContact O-N 3.36Å; L132-P150 HydrophobicContact CD1-CG 4.33Å; L132-W165 HydrophobicContact CD1-CH2 4.1Å; L132-W165 HydrophobicContact CD1-CZ3 4.28Å; L132-L185 HydrophobicContact CD2-CB 4.16Å; L132-L185 HydrophobicContact CD2-CD1 4.06Å; L132-L185 HydrophobicContact CD2-CD2 4.37Å; L132-L185 HydrophobicContact CD2-CG 4.45Å; L132-V187 HydrophobicContact CD1-CG1 4.43Å; L132-V187 HydrophobicContact CG-CG1 4.05Å
133C80.2Confident87.4Confident14 Ų1438.9 Ų38.910%0.09518%0.18CC..G310 helixtrans-45.9-40.4-176.6-57.30000114.4R130 K131 H188R130-C133 PolarHBondContact O-SG 3.14Å; R130-C133 VanDerWaalsContact O-SG 3.33Å; K131-C133 PolarHBondContact O-N 3.2Å; C133-H188 HydrophobicContact CB-CB 4.36Å; C133-H188 WeakPolarHBondContact O-CB 3.46Å; C133-H188 PolarHBondContact O-N 2.72Å; C133-H188 VanDerWaalsContact SG-CE1 3.56Å; C133-H188 PolarHBondContact SG-NE2 3.22Å
134Q77.4Confident87.2Confident40 Ų4047.3 Ų47.319%0.18721%0.21CC..G310 helixtrans-89.12.3179.7-70.1-172-30.500115.2L132 S136 K137 G138 C197 S200L132-Q134 PolarHBondContact O-N 3.26Å; Q134-S136 PolarHBondContact O-N 3.14Å; Q134-K137 PolarHBondContact O-N 3.3Å; Q134-G138 VanDerWaalsContact OE1-CA 3.32Å; Q134-C197 HydrophobicContact CG-CB 4.31Å; Q134-C197 PolarHBondContact NE2-O 3.22Å; Q134-S200 PolarHBondContact NE2-O 2.9Å; Q134-S200 PolarHBondContact NE2-OG 2.69Å; Q134-S200 VanDerWaalsContact OE1-CB 3.32Å; Q134-S200 PolarHBondContact OE1-O 2.93Å; Q134-S200 PolarHBondContact OE1-OG 3.17Å
135G84.3Confident86.9Confident6 Ų641.9 Ų41.96%0.06221%0.205CC..G310 helixtrans55.7-123.6-177.300000112.6L132 K137 G138 P150L132-G135 PolarHBondContact O-N 3.36Å; G135-K137 PolarHBondContact O-N 3Å; G135-G138 PolarHBondContact O-N 3.11Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.45Å
136S82.8Confident86.7Confident45 Ų4547.9 Ų47.932%0.31523%0.232SC..G310 helixtrans-66-15.7-17739.50000115.7Q134 N151Q134-S136 PolarHBondContact O-N 3.14Å; S136-N151 VanDerWaalsContact CB-OD1 3.29Å; S136-N151 WeakPolarHBondContact CB-OD1 3.46Å
137K82.3Confident86.6Confident168 Ų16850.2 Ų50.273%0.7324%0.237SC*.G310 helixtrans-94.6-17.5-177.8-64.9-172.3179.5-176.60113.9Q134 G135Q134-K137 PolarHBondContact O-N 3.3Å; G135-K137 PolarHBondContact O-N 3Å
138G85.6Confident86.6Confident1 Ų151.1 Ų51.11%0.0124%0.242CC..SBendtrans-102.3134.1-175.200000112.8Q134 G135 S140Q134-G138 VanDerWaalsContact OE1-CA 3.32Å; G135-G138 PolarHBondContact O-N 3.11Å; G138-S140 PolarHBondContact O-N 3.07Å; G138-S140 VanDerWaalsContact O-N 3.13Å; G138-S140 PolarHBondContact O-OG 2.96Å
139P88.3Confident86.7Confident41 Ų4151.7 Ų51.727%0.26625%0.246SC..  trans-68110.9171.328.3-32.2000109.3W147 L148P139-W147 HydrophobicContact CB-CB 4.25Å; P139-L148 WeakPolarHBondContact CA-O 3.5Å
140S90.7Very high87Confident0 Ų051.1 Ų51.10%024%0.243CC..  trans-133.5-14.6-171.453.20000113.6Y128 K131 G138 L148Y128-S140 PolarHBondContact N-O 3.18Å; K131-S140 WeakPolarHBondContact O-CB 3.42Å; G138-S140 PolarHBondContact O-N 3.07Å; G138-S140 VanDerWaalsContact O-N 3.13Å; G138-S140 PolarHBondContact O-OG 2.96Å; S140-L148 PolarHBondContact N-O 3.5Å
141I92Very high87.5Confident0 Ų051.9 Ų51.90%025%0.251CS..EExtended strand (participates in β ladder)trans-107.1132.7179-59.8-179.5000108.7V118 A125 L126 L127 L148 P150 F153 I169V118-I141 HydrophobicContact CG2-CD1 4.31Å; V118-I141 HydrophobicContact CG2-CG2 4.23Å; A125-I141 HydrophobicContact CB-CG2 3.45Å; A125-I141 VanDerWaalsContact CB-CG2 3.45Å; L126-I141 CarbonylContact O-C 3.56Å; L126-I141 WeakPolarHBondContact O-CA 3.14Å; L127-I141 HydrophobicContact CB-CG1 4.24Å; L127-I141 HydrophobicContact CD1-CG1 3.77Å; I141-L148 PolarHBondContact N-O 3.19Å; I141-L148 PolarHBondContact O-N 3.11Å; I141-P150 HydrophobicContact CD1-CB 4.37Å; I141-P150 HydrophobicContact CD1-CG 4.42Å; I141-F153 HydrophobicContact CB-CB 4.47Å; I141-F153 HydrophobicContact CD1-CB 3.92Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.45Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.22Å; I141-F153 HydrophobicContact CG2-CD1 4.06Å; I141-F153 HydrophobicContact CG2-CD2 4.21Å; I141-F153 HydrophobicContact CG2-CE1 4.48Å; I141-F153 HydrophobicContact CG2-CG 3.9Å; I141-I169 HydrophobicContact CD1-CD1 3.87Å
142R92.1Very high87.9Confident88 Ų8852.6 Ų52.633%0.33226%0.256SS..EExtended strand (participates in β ladder)trans-106113.1174.1-165.6178.6179.6-163.4-2.8109.5D110 A125 L126 Y128 E146 W147D110-R142 IonicContact OD2-NH1 2.73Å; D110-R142 PolarHBondContact OD2-NH1 2.9Å; A125-R142 WeakPolarHBondContact CB-O 3.32Å; L126-R142 PolarHBondContact N-O 3.14Å; L126-R142 PolarHBondContact O-N 3.19Å; Y128-R142 HydrophobicContact CD2-CB 4.35Å; Y128-R142 HydrophobicContact CE2-CB 3.61Å; Y128-R142 HydrophobicContact CE2-CG 4.46Å; Y128-R142 VanDerWaalsContact OH-CD 3.28Å; Y128-R142 WeakPolarHBondContact OH-CD 3.4Å; Y128-R142 PolarHBondContact OH-NH1 2.82Å; R142-E146 CarbonylContact C-O 3.59Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.3Å; R142-W147 HydrophobicContact CB-CE3 4.4Å; R142-W147 HydrophobicContact CB-CH2 4.42Å; R142-W147 HydrophobicContact CB-CZ3 4.31Å
143H93.1Very high88.2Confident8 Ų852.5 Ų52.54%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-125.1124.2-177.4175.5-120.5000108.8R124 A125 G145 E146 L148 F153R124-H143 PolarHBondContact O-CD2 3.14Å; A125-H143 HydrophobicContact CB-CB 3.85Å; H143-G145 PolarHBondContact O-N 3.01Å; H143-E146 PolarHBondContact N-O 2.96Å; H143-E146 PolarHBondContact O-N 3.38Å; H143-L148 HydrophobicContact CB-CD1 3.93Å; H143-F153 HydrophobicContact CB-CD2 4.16Å; H143-F153 HydrophobicContact CB-CE2 4.32Å; H143-F153 AromaticContact CD2-CE2 3.92Å
144R88.9Confident88.7Confident203 Ų20352.4 Ų52.477%0.76625%0.253SS*.THydrogen-bonded Turntrans52.426.4-178.8-55.4179.6-171-1530.9114.7N123N123-R144 PolarHBondContact OD1-NH2 3.41Å
145G85.9Confident89.3Confident50 Ų5056.6 Ų56.652%0.51527%0.271SS..THydrogen-bonded Turntrans97.8-24.8-177.300000114.7H143H143-G145 PolarHBondContact O-N 3.01Å
146E90.7Very high89.6Confident132 Ų13259.8 Ų59.862%0.61729%0.289SS*.EExtended strand (participates in β ladder)trans-81.9154.1-179.2-60.1-174.2145.800112.6R142 H143R142-E146 CarbonylContact C-O 3.59Å; R142-E146 VanDerWaalsContact CA-O 3.24Å; R142-E146 WeakPolarHBondContact CA-O 3.3Å; H143-E146 PolarHBondContact N-O 2.96Å; H143-E146 PolarHBondContact O-N 3.38Å
147W91.3Very high89.8Confident102 Ų10258.4 Ų58.439%0.38628%0.28SS..EExtended strand (participates in β ladder)trans-100.6113.1177.7-76.197.7000111.1Y128 K131 P139 R142Y128-W147 AromaticContact CD1-CH2 3.8Å; Y128-W147 HydrophobicContact CD1-CH2 3.8Å; Y128-W147 HydrophobicContact CD1-CZ3 4.5Å; Y128-W147 AromaticContact CD2-CH2 3.34Å; Y128-W147 HydrophobicContact CD2-CH2 3.34Å; Y128-W147 AromaticContact CD2-CZ3 3.44Å; Y128-W147 HydrophobicContact CD2-CZ3 3.44Å; Y128-W147 VanDerWaalsContact CD2-CZ3 3.44Å; Y128-W147 AromaticContact CE1-CH2 3.79Å; Y128-W147 HydrophobicContact CE1-CH2 3.79Å; Y128-W147 HydrophobicContact CE1-CZ2 4.48Å; Y128-W147 AromaticContact CE2-CH2 3.34Å; Y128-W147 HydrophobicContact CE2-CH2 3.34Å; Y128-W147 HydrophobicContact CE2-CZ2 4.21Å; Y128-W147 AromaticContact CE2-CZ3 3.79Å; Y128-W147 HydrophobicContact CE2-CZ3 3.79Å; Y128-W147 AromaticContact CG-CH2 3.6Å; Y128-W147 HydrophobicContact CG-CH2 3.6Å; Y128-W147 AromaticContact CG-CZ3 3.85Å; Y128-W147 HydrophobicContact CG-CZ3 3.85Å; Y128-W147 AromaticContact CZ-CH2 3.57Å; K131-W147 HydrophobicContact CD-CE3 4.5Å; K131-W147 HydrophobicContact CD-CH2 3.83Å; K131-W147 HydrophobicContact CD-CZ3 3.67Å; K131-W147 VanDerWaalsContact NZ-CZ2 3.33Å; P139-W147 HydrophobicContact CB-CB 4.25Å; R142-W147 HydrophobicContact CB-CE3 4.4Å; R142-W147 HydrophobicContact CB-CH2 4.42Å; R142-W147 HydrophobicContact CB-CZ3 4.31Å
148L90.9Very high89.9Confident19 Ų1953.5 Ų53.510%0.09928%0.277CS..EExtended strand (participates in β ladder)trans-113.2148.4-178.6-56.2-177.5000111.5P139 S140 I141 H143 E152 F153 V156P139-L148 WeakPolarHBondContact CA-O 3.5Å; S140-L148 PolarHBondContact N-O 3.5Å; I141-L148 PolarHBondContact N-O 3.19Å; I141-L148 PolarHBondContact O-N 3.11Å; H143-L148 HydrophobicContact CB-CD1 3.93Å; L148-E152 HydrophobicContact CB-CB 4.12Å; L148-E152 HydrophobicContact CD2-CB 4.23Å; L148-F153 HydrophobicContact CB-CB 4.31Å; L148-F153 HydrophobicContact CD1-CB 4.22Å; L148-F153 HydrophobicContact CD1-CD2 4.39Å; L148-V156 HydrophobicContact CD1-CG2 4.35Å
149T91.3Very high89.7Confident15 Ų1558.8 Ų58.89%0.09230%0.296CS..  trans-69.1161.316062.70000110.6N151 E152 F153T149-N151 PolarHBondContact O-N 3.43Å; T149-E152 VanDerWaalsContact CB-OE2 3.24Å; T149-E152 WeakPolarHBondContact CB-OE2 3.46Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.38Å; T149-E152 PolarHBondContact N-OE2 3.47Å; T149-E152 PolarHBondContact O-N 3Å; T149-E152 VanDerWaalsContact OG1-CG 3.31Å; T149-E152 WeakPolarHBondContact OG1-CG 3.38Å; T149-E152 PolarHBondContact OG1-N 2.88Å; T149-E152 VanDerWaalsContact OG1-N 3.12Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; T149-F153 PolarHBondContact O-N 2.96Å
150P91.6Very high89Confident0 Ų062.8 Ų62.80%031%0.311CS..Hα-helixtrans-57-30.1171-26.635.9000114L132 G135 I141 Q154 W165 I169L132-P150 HydrophobicContact CD1-CG 4.33Å; G135-P150 VanDerWaalsContact O-CD 3.31Å; G135-P150 WeakPolarHBondContact O-CD 3.45Å; I141-P150 HydrophobicContact CD1-CB 4.37Å; I141-P150 HydrophobicContact CD1-CG 4.42Å; P150-Q154 WeakPolarHBondContact O-CB 3.42Å; P150-Q154 PolarHBondContact O-N 3.05Å; P150-W165 HydrophobicContact CB-CB 4.27Å; P150-W165 HydrophobicContact CB-CD2 3.61Å; P150-W165 HydrophobicContact CB-CE3 3.43Å; P150-W165 VanDerWaalsContact CB-CE3 3.43Å; P150-W165 HydrophobicContact CB-CG 4.01Å; P150-W165 HydrophobicContact CB-CH2 4.49Å; P150-W165 HydrophobicContact CB-CZ3 3.91Å; P150-W165 HydrophobicContact CG-CD2 4.46Å; P150-W165 HydrophobicContact CG-CE3 4.11Å; P150-W165 HydrophobicContact CG-CH2 4.37Å; P150-W165 HydrophobicContact CG-CZ3 4.06Å; P150-I169 HydrophobicContact CB-CD1 3.96Å; P150-I169 WeakPolarHBondContact O-CD1 3.39Å
151N90.6Very high88.2Confident76 Ų7669 Ų6941%0.40635%0.35SS..Hα-helixtrans-71-46.6175.9-73.48.1000111.6S136 T149 Q154 F155S136-N151 VanDerWaalsContact CB-OD1 3.29Å; S136-N151 WeakPolarHBondContact CB-OD1 3.46Å; T149-N151 PolarHBondContact O-N 3.43Å; N151-Q154 WeakPolarHBondContact O-CB 3.32Å; N151-Q154 PolarHBondContact O-N 2.9Å; N151-F155 PolarHBondContact O-N 3.1Å
152E90.9Very high87.5Confident95 Ų9571 Ų7144%0.44437%0.366SS..Hα-helixtrans-66.5-40.3179.6-70.1152.1157.400111.6L148 T149 Q154 F155 V156L148-E152 HydrophobicContact CB-CB 4.12Å; L148-E152 HydrophobicContact CD2-CB 4.23Å; T149-E152 VanDerWaalsContact CB-OE2 3.24Å; T149-E152 WeakPolarHBondContact CB-OE2 3.46Å; T149-E152 VanDerWaalsContact CG2-OE2 3.24Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.38Å; T149-E152 PolarHBondContact N-OE2 3.47Å; T149-E152 PolarHBondContact O-N 3Å; T149-E152 VanDerWaalsContact OG1-CG 3.31Å; T149-E152 WeakPolarHBondContact OG1-CG 3.38Å; T149-E152 PolarHBondContact OG1-N 2.88Å; T149-E152 VanDerWaalsContact OG1-N 3.12Å; T149-E152 PolarHBondContact OG1-OE2 2.84Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.45Å; E152-F155 WeakPolarHBondContact O-CB 3.42Å; E152-F155 PolarHBondContact O-N 2.79Å; E152-V156 WeakPolarHBondContact O-CB 3.43Å; E152-V156 WeakPolarHBondContact O-CG2 3.47Å; E152-V156 PolarHBondContact O-N 2.99Å
153F91.9Very high86.9Confident0 Ų077 Ų770%040%0.395CS..Hα-helixtrans-62.9-36.3174.5179.9-122.9000112.3V118 C120 N123 A125 I141 H143 L148 T149 S157 I169V118-F153 HydrophobicContact CG2-CE1 4.01Å; C120-F153 HydrophobicContact CB-CD1 4.01Å; C120-F153 HydrophobicContact CB-CE1 3.44Å; C120-F153 VanDerWaalsContact CB-CE1 3.44Å; C120-F153 HydrophobicContact CB-CZ 3.81Å; N123-F153 HydrophobicContact CB-CE2 3.9Å; N123-F153 HydrophobicContact CB-CZ 4.19Å; A125-F153 HydrophobicContact CB-CD2 4.13Å; A125-F153 HydrophobicContact CB-CE1 4.21Å; A125-F153 HydrophobicContact CB-CE2 3.5Å; A125-F153 HydrophobicContact CB-CZ 3.55Å; I141-F153 HydrophobicContact CB-CB 4.47Å; I141-F153 HydrophobicContact CD1-CB 3.92Å; I141-F153 HydrophobicContact CD1-CD1 3.59Å; I141-F153 HydrophobicContact CD1-CE1 4.45Å; I141-F153 HydrophobicContact CD1-CG 4.03Å; I141-F153 HydrophobicContact CG2-CB 4.22Å; I141-F153 HydrophobicContact CG2-CD1 4.06Å; I141-F153 HydrophobicContact CG2-CD2 4.21Å; I141-F153 HydrophobicContact CG2-CE1 4.48Å; I141-F153 HydrophobicContact CG2-CG 3.9Å; H143-F153 HydrophobicContact CB-CD2 4.16Å; H143-F153 HydrophobicContact CB-CE2 4.32Å; H143-F153 AromaticContact CD2-CE2 3.92Å; L148-F153 HydrophobicContact CB-CB 4.31Å; L148-F153 HydrophobicContact CD1-CB 4.22Å; L148-F153 HydrophobicContact CD1-CD2 4.39Å; T149-F153 PolarHBondContact O-N 2.96Å; F153-S157 VanDerWaalsContact O-CB 3.26Å; F153-S157 WeakPolarHBondContact O-CB 3.38Å; F153-S157 PolarHBondContact O-N 3.24Å; F153-S157 PolarHBondContact O-OG 3.36Å; F153-I169 HydrophobicContact CD1-CD1 3.92Å; F153-I169 HydrophobicContact CD1-CG1 4.01Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.37Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å
154Q90.9Very high86.6Confident11 Ų1178.8 Ų78.85%0.05140%0.404CS..Hα-helixtrans-66.7-41.5173.9-173.5-163.4-36.100112P150 N151 E152 S157 R159 A162P150-Q154 WeakPolarHBondContact O-CB 3.42Å; P150-Q154 PolarHBondContact O-N 3.05Å; N151-Q154 WeakPolarHBondContact O-CB 3.32Å; N151-Q154 PolarHBondContact O-N 2.9Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.45Å; Q154-S157 PolarHBondContact O-N 3.48Å; Q154-R159 HydrophobicContact CG-CB 3.87Å; Q154-R159 PolarHBondContact NE2-O 3.27Å; Q154-R159 PolarHBondContact O-N 3.01Å; Q154-A162 PolarHBondContact NE2-O 3.42Å
155F89.8Confident86.6Confident129 Ų12970 Ų7057%0.56637%0.371SS*.Hα-helixtrans-62-53.2176.2178.6-95.8000111.7N151 E152 S157 G158 E160N151-F155 PolarHBondContact O-N 3.1Å; E152-F155 WeakPolarHBondContact O-CB 3.42Å; E152-F155 PolarHBondContact O-N 2.79Å; F155-S157 PolarHBondContact O-N 3.33Å; F155-G158 PolarHBondContact O-N 3.42Å; F155-E160 HydrophobicContact CD2-CB 3.7Å; F155-E160 HydrophobicContact CE2-CB 4.16Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.3Å
156V89.3Confident86.8Confident73 Ų7370.8 Ų70.844%0.44236%0.36SS..Hα-helixtrans-58.5-16.8175.7171.80000112.9N123 L148 E152N123-V156 PolarHBondContact ND2-O 3.18Å; L148-V156 HydrophobicContact CD1-CG2 4.35Å; E152-V156 WeakPolarHBondContact O-CB 3.43Å; E152-V156 WeakPolarHBondContact O-CG2 3.47Å; E152-V156 PolarHBondContact O-N 2.99Å
157S88.1Confident86.8Confident16 Ų1671.1 Ų71.111%0.11236%0.356CS..THydrogen-bonded Turntrans-97.715.5177.9-57.30000114.7C120 N123 F153 Q154 F155 R159C120-S157 VanDerWaalsContact O-CB 3.28Å; C120-S157 WeakPolarHBondContact O-CB 3.35Å; C120-S157 PolarHBondContact O-OG 3.04Å; N123-S157 VanDerWaalsContact ND2-CA 3.34Å; N123-S157 WeakPolarHBondContact ND2-CA 3.29Å; N123-S157 PolarHBondContact ND2-OG 3.35Å; F153-S157 VanDerWaalsContact O-CB 3.26Å; F153-S157 WeakPolarHBondContact O-CB 3.38Å; F153-S157 PolarHBondContact O-N 3.24Å; F153-S157 PolarHBondContact O-OG 3.36Å; Q154-S157 PolarHBondContact O-N 3.48Å; F155-S157 PolarHBondContact O-N 3.33Å; S157-R159 PolarHBondContact O-N 3.37Å
158G83.6Confident86.8Confident65 Ų6566.8 Ų66.867%0.6734%0.341SS*.THydrogen-bonded Turntrans6619.1176.700000113.8F155F155-G158 PolarHBondContact O-N 3.42Å
159R81.3Confident86.8Confident111 Ų11165.9 Ų65.942%0.41934%0.337SS..  trans-109.724.2179.5-69.1-175.2180-92.12112.3Q154 S157 T161 A162Q154-R159 HydrophobicContact CG-CB 3.87Å; Q154-R159 PolarHBondContact NE2-O 3.27Å; Q154-R159 PolarHBondContact O-N 3.01Å; S157-R159 PolarHBondContact O-N 3.37Å; R159-T161 PolarHBondContact O-N 2.55Å; R159-T161 VanDerWaalsContact O-N 3.13Å; R159-A162 PolarHBondContact O-N 2.91Å
160E75Confident86.9Confident125 Ų12570.5 Ų70.558%0.58435%0.352SS*.THydrogen-bonded Turntrans-51.8-31.617963.1-178.8-167.500114.3F155 A162F155-E160 HydrophobicContact CD2-CB 3.7Å; F155-E160 HydrophobicContact CE2-CB 4.16Å; F155-E160 WeakPolarHBondContact CE2-OE2 3.3Å; E160-A162 VanDerWaalsContact C-N 3.27Å; E160-A162 PolarHBondContact O-N 3.48Å
161T73.7Confident86.9Confident132 Ų13270.8 Ų70.881%0.8135%0.354SS*.THydrogen-bonded Turntrans-71.8-16.6-179.653.80000113.9R159R159-T161 PolarHBondContact O-N 2.55Å; R159-T161 VanDerWaalsContact O-N 3.13Å
162A76Confident86.7Confident40 Ų4072.3 Ų72.333%0.33136%0.357SS..  trans-84.6135.8175.500000111.2Q154 R159 E160Q154-A162 PolarHBondContact NE2-O 3.42Å; R159-A162 PolarHBondContact O-N 2.91Å; E160-A162 VanDerWaalsContact C-N 3.27Å; E160-A162 PolarHBondContact O-N 3.48Å
163K79.6Confident86.5Confident216 Ų21669.6 Ų69.694%0.93936%0.355SS*.SBendtrans-89.6-0.4179.7-159.5169179.4175.90114.2
164D87Confident86.4Confident45 Ų4572.9 Ų72.924%0.24137%0.369CS..  trans-129.291.4-170.8-168.7-13.4000111.6K166 R167 S168D164-K166 PolarHBondContact O-N 2.66Å; D164-K166 VanDerWaalsContact OD1-CB 3.28Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 PolarHBondContact OD1-N 3.41Å; D164-K166 VanDerWaalsContact OD1-N 3.1Å; D164-R167 HydrophobicContact CB-CB 4.33Å; D164-R167 HydrophobicContact CB-CG 4.35Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 VanDerWaalsContact O-N 3.14Å; D164-R167 PolarHBondContact OD1-N 3.27Å; D164-R167 WeakPolarHBondContact OD2-CD 3.14Å; D164-R167 VanDerWaalsContact OD2-CG 3.28Å; D164-R167 WeakPolarHBondContact OD2-CG 3.48Å; D164-R167 IonicContact OD2-NE 3.3Å; D164-R167 PolarHBondContact OD2-NE 3.14Å; D164-S168 PolarHBondContact O-N 3.35Å; D164-S168 PolarHBondContact O-OG 2.92Å
165W89.4Confident86.5Confident18 Ų1873.1 Ų73.17%0.06837%0.372CS..Hα-helixtrans-58.3-31.117563.3-95.5000112.5L132 P150 R167 S168 I169 L176 M180 V187L132-W165 HydrophobicContact CD1-CH2 4.1Å; L132-W165 HydrophobicContact CD1-CZ3 4.28Å; P150-W165 HydrophobicContact CB-CB 4.27Å; P150-W165 HydrophobicContact CB-CD2 3.61Å; P150-W165 HydrophobicContact CB-CE3 3.43Å; P150-W165 VanDerWaalsContact CB-CE3 3.43Å; P150-W165 HydrophobicContact CB-CG 4.01Å; P150-W165 HydrophobicContact CB-CH2 4.49Å; P150-W165 HydrophobicContact CB-CZ3 3.91Å; P150-W165 HydrophobicContact CG-CD2 4.46Å; P150-W165 HydrophobicContact CG-CE3 4.11Å; P150-W165 HydrophobicContact CG-CH2 4.37Å; P150-W165 HydrophobicContact CG-CZ3 4.06Å; W165-R167 PolarHBondContact O-N 3.3Å; W165-S168 PolarHBondContact O-N 3.07Å; W165-I169 HydrophobicContact CB-CD1 4.29Å; W165-I169 HydrophobicContact CE3-CD1 4.43Å; W165-I169 WeakPolarHBondContact O-CB 3.44Å; W165-I169 PolarHBondContact O-N 3.3Å; W165-L176 HydrophobicContact CE3-CD1 4.14Å; W165-L176 HydrophobicContact CZ3-CD1 3.94Å; W165-M180 HydrophobicContact CH2-SD 4.37Å; W165-V187 HydrophobicContact CH2-CG1 4.5Å
166K91.1Very high86.5Confident67 Ų6767 Ų6729%0.29135%0.345SS..Hα-helixtrans-68.4-24.7-179.1-50.2177176.2-179.90111.7D164 L176 K177 M180D164-K166 PolarHBondContact O-N 2.66Å; D164-K166 VanDerWaalsContact OD1-CB 3.28Å; D164-K166 WeakPolarHBondContact OD1-CB 3.45Å; D164-K166 PolarHBondContact OD1-N 3.41Å; D164-K166 VanDerWaalsContact OD1-N 3.1Å; K166-L176 PolarHBondContact O-N 3.45Å; K166-L176 VanDerWaalsContact O-N 3.11Å; K166-K177 HydrophobicContact CB-CB 3.78Å; K166-K177 WeakPolarHBondContact O-CB 3.33Å; K166-K177 PolarHBondContact O-N 3.22Å; K166-M180 HydrophobicContact CD-CE 4.25Å; K166-M180 HydrophobicContact CD-SD 3.84Å; K166-M180 HydrophobicContact CG-SD 4.15Å
167R90.3Very high86.6Confident138 Ų13867.9 Ų67.952%0.52134%0.343SS..Hα-helixtrans-92.5-31.2172.1-68.9178.3-168.3-10015.7113.4D164 W165 K177D164-R167 HydrophobicContact CB-CB 4.33Å; D164-R167 HydrophobicContact CB-CG 4.35Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 VanDerWaalsContact O-N 3.14Å; D164-R167 PolarHBondContact OD1-N 3.27Å; D164-R167 WeakPolarHBondContact OD2-CD 3.14Å; D164-R167 VanDerWaalsContact OD2-CG 3.28Å; D164-R167 WeakPolarHBondContact OD2-CG 3.48Å; D164-R167 IonicContact OD2-NE 3.3Å; D164-R167 PolarHBondContact OD2-NE 3.14Å; W165-R167 PolarHBondContact O-N 3.3Å; R167-K177 HydrophobicContact CG-CD 4.27Å
168S90.1Very high86.7Confident12 Ų1269.8 Ų69.88%0.08435%0.354CS..Hα-helixtrans-77-34.5-174.5-56.40000112.6C120 D164 W165C120-S168 PolarHBondContact SG-O 2.62Å; C120-S168 VanDerWaalsContact SG-O 3.32Å; D164-S168 PolarHBondContact O-N 3.35Å; D164-S168 PolarHBondContact O-OG 2.92Å; W165-S168 PolarHBondContact O-N 3.07Å
169I92.3Very high86.9Confident0 Ų066.8 Ų66.80%032%0.323CS..  trans-93.9138.8175.8-55.4165.1000109.3V118 E119 C120 I141 P150 F153 W165 L176V118-I169 HydrophobicContact CB-CG2 3.67Å; V118-I169 HydrophobicContact CG1-CG2 4.12Å; V118-I169 HydrophobicContact CG2-CG2 4.11Å; E119-I169 WeakPolarHBondContact O-CA 3.02Å; C120-I169 HydrophobicContact CB-CG1 4.18Å; I141-I169 HydrophobicContact CD1-CD1 3.87Å; P150-I169 HydrophobicContact CB-CD1 3.96Å; P150-I169 WeakPolarHBondContact O-CD1 3.39Å; F153-I169 HydrophobicContact CD1-CD1 3.92Å; F153-I169 HydrophobicContact CD1-CG1 4.01Å; F153-I169 HydrophobicContact CD1-CG2 4.43Å; F153-I169 HydrophobicContact CE1-CG1 4.37Å; F153-I169 HydrophobicContact CE1-CG2 4.21Å; W165-I169 HydrophobicContact CB-CD1 4.29Å; W165-I169 HydrophobicContact CE3-CD1 4.43Å; W165-I169 WeakPolarHBondContact O-CB 3.44Å; W165-I169 PolarHBondContact O-N 3.3Å; I169-L176 HydrophobicContact CB-CD1 3.76Å; I169-L176 HydrophobicContact CB-CG 3.99Å; I169-L176 HydrophobicContact CD1-CD1 4.37Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.38Å; I169-L176 HydrophobicContact CG2-CG 3.86Å; I169-L176 PolarHBondContact O-N 2.72Å
170R92.3Very high87.2Confident112 Ų11263.3 Ų63.342%0.42331%0.312SS..EExtended strand (participates in β ladder)trans-133.8164.2-175.9-69.4163.7-174.7-98.91.6111.3V118 E119 G173 K174V118-R170 CarbonylContact C-O 3.51Å; V118-R170 WeakPolarHBondContact CA-O 3.43Å; V118-R170 WeakPolarHBondContact CB-O 3.37Å; E119-R170 HydrophobicContact CG-CB 3.69Å; E119-R170 PolarHBondContact N-O 3.49Å; E119-R170 PolarHBondContact O-N 3.43Å; E119-R170 WeakPolarHBondContact OE1-CB 3.5Å; R170-G173 WeakPolarHBondContact CD-O 3.16Å; R170-G173 PolarHBondContact NH1-O 2.99Å; R170-K174 CarbonylContact C-O 3.47Å; R170-K174 WeakPolarHBondContact CA-O 3.27Å; R170-K174 WeakPolarHBondContact CB-O 3.46Å
171H92Very high87.7Confident5 Ų562 Ų622%0.02332%0.316CS..EExtended strand (participates in β ladder)trans-132.5119.9165.1172.191000107F105 I116 E117 G173 K174 L179F105-H171 AromaticContact CD1-CD2 3.76Å; F105-H171 AromaticContact CD1-NE2 3.9Å; F105-H171 HydrophobicContact CE1-CB 4.39Å; F105-H171 AromaticContact CE1-CD2 3.19Å; F105-H171 WeakPolarHBondContact CE1-CD2 3.48Å; F105-H171 AromaticContact CE1-CG 3.93Å; F105-H171 AromaticContact CE1-NE2 3.83Å; F105-H171 AromaticContact CZ-CD2 3.78Å; I116-H171 HydrophobicContact CD1-CB 4.23Å; E117-H171 PolarHBondContact O-ND1 3.11Å; H171-G173 VanDerWaalsContact C-N 3.3Å; H171-G173 PolarHBondContact O-N 3.04Å; H171-K174 PolarHBondContact N-O 2.88Å; H171-K174 WeakPolarHBondContact O-CB 3.38Å; H171-K174 PolarHBondContact O-N 3.49Å; H171-L179 HydrophobicContact CB-CD1 4.18Å
172K86.8Confident88.3Confident108 Ų10862.5 Ų62.547%0.4731%0.307SS..THydrogen-bonded Turntrans48.352-177.4-57.9179.6-175-177.30111.4D104 E119 K174D104-K172 WeakPolarHBondContact O-CD 3.33Å; D104-K172 WeakPolarHBondContact O-CE 3.49Å; D104-K172 PolarHBondContact O-NZ 2.9Å; E119-K172 PolarHBondContact OE1-N 3.5Å; K172-K174 PolarHBondContact O-N 3.23Å
173G86.1Confident88.4Confident39 Ų3962.2 Ų62.240%0.40231%0.307SS..THydrogen-bonded Turntrans75.8-24.9-176.700000116E119 R170 H171E119-G173 WeakPolarHBondContact OE1-CA 3.32Å; E119-G173 PolarHBondContact OE1-N 3.32Å; R170-G173 WeakPolarHBondContact CD-O 3.16Å; R170-G173 PolarHBondContact NH1-O 2.99Å; H171-G173 VanDerWaalsContact C-N 3.3Å; H171-G173 PolarHBondContact O-N 3.04Å
174K89.9Confident88.6Confident68 Ų6852.8 Ų52.830%0.29627%0.267SS..EExtended strand (participates in β ladder)trans-80.1126.2-174.9-61.8171.7-173.5176.50110.9D104 F105 R170 H171 K172 L179D104-K174 IonicContact OD2-NZ 3.89Å; D104-K174 PolarHBondContact OD2-NZ 3.46Å; F105-K174 HydrophobicContact CE2-CD 3.89Å; F105-K174 HydrophobicContact CZ-CD 3.9Å; R170-K174 CarbonylContact C-O 3.47Å; R170-K174 WeakPolarHBondContact CA-O 3.27Å; R170-K174 WeakPolarHBondContact CB-O 3.46Å; H171-K174 PolarHBondContact N-O 2.88Å; H171-K174 WeakPolarHBondContact O-CB 3.38Å; H171-K174 PolarHBondContact O-N 3.49Å; K172-K174 PolarHBondContact O-N 3.23Å; K174-L179 HydrophobicContact CB-CD2 4.05Å
175S92.1Very high88.4Confident17 Ų1750.9 Ų50.912%0.11926%0.257CS..EExtended strand (participates in β ladder)trans-67.6146.3-178.476.70000112.5K177 T178 L179S175-K177 PolarHBondContact O-N 3.39Å; S175-K177 VanDerWaalsContact O-N 3.13Å; S175-T178 WeakPolarHBondContact O-CA 3.31Å; S175-T178 VanDerWaalsContact O-CB 3.22Å; S175-T178 WeakPolarHBondContact O-CB 3.29Å; S175-T178 PolarHBondContact O-N 3.45Å; S175-T178 PolarHBondContact O-OG1 3.43Å; S175-T178 PolarHBondContact OG-N 3.15Å; S175-T178 PolarHBondContact OG-OG1 2.94Å; S175-L179 PolarHBondContact O-N 3.11Å
176L90.5Very high87.9Confident1 Ų155.5 Ų55.51%0.00528%0.28CS..Hα-helixtrans-55-34.3176.8-63.4-171.5000112.1V118 L127 W165 K166 I169 T178 L179 M180 L185V118-L176 HydrophobicContact CG1-CD2 4.01Å; L127-L176 HydrophobicContact CD2-CD1 3.92Å; L127-L176 HydrophobicContact CD2-CD2 3.94Å; W165-L176 HydrophobicContact CE3-CD1 4.14Å; W165-L176 HydrophobicContact CZ3-CD1 3.94Å; K166-L176 PolarHBondContact O-N 3.45Å; K166-L176 VanDerWaalsContact O-N 3.11Å; I169-L176 HydrophobicContact CB-CD1 3.76Å; I169-L176 HydrophobicContact CB-CG 3.99Å; I169-L176 HydrophobicContact CD1-CD1 4.37Å; I169-L176 HydrophobicContact CG2-CD1 3.61Å; I169-L176 HydrophobicContact CG2-CD2 4.38Å; I169-L176 HydrophobicContact CG2-CG 3.86Å; I169-L176 PolarHBondContact O-N 2.72Å; L176-T178 VanDerWaalsContact C-N 3.26Å; L176-T178 PolarHBondContact O-N 3.39Å; L176-L179 HydrophobicContact CD2-CD1 4.04Å; L176-L179 WeakPolarHBondContact O-CB 3.5Å; L176-L179 PolarHBondContact O-N 3.29Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 3.04Å; L176-L185 HydrophobicContact CD2-CD1 3.81Å
177K91.1Very high87.4Confident90 Ų9054.7 Ų54.739%0.39128%0.28SS..Hα-helixtrans-55.1-41.4173.5-175.2169.9179.3170.20112K166 R167 S175 L179 M180 S181K166-K177 HydrophobicContact CB-CB 3.78Å; K166-K177 WeakPolarHBondContact O-CB 3.33Å; K166-K177 PolarHBondContact O-N 3.22Å; R167-K177 HydrophobicContact CG-CD 4.27Å; S175-K177 PolarHBondContact O-N 3.39Å; S175-K177 VanDerWaalsContact O-N 3.13Å; K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 3.3Å; K177-M180 PolarHBondContact O-N 2.78Å; K177-S181 PolarHBondContact O-N 2.79Å; K177-S181 PolarHBondContact O-OG 3.25Å; K177-S181 VanDerWaalsContact O-OG 3.14Å
178T89.8Confident86.8Confident57 Ų5751.2 Ų51.235%0.3527%0.27SS..Hα-helixtrans-66.4-32.3177.3-490000112S175 L176 S181 K182S175-T178 WeakPolarHBondContact O-CA 3.31Å; S175-T178 VanDerWaalsContact O-CB 3.22Å; S175-T178 WeakPolarHBondContact O-CB 3.29Å; S175-T178 PolarHBondContact O-N 3.45Å; S175-T178 PolarHBondContact O-OG1 3.43Å; S175-T178 PolarHBondContact OG-N 3.15Å; S175-T178 PolarHBondContact OG-OG1 2.94Å; L176-T178 VanDerWaalsContact C-N 3.26Å; L176-T178 PolarHBondContact O-N 3.39Å; T178-S181 WeakPolarHBondContact CA-OG 3.17Å; T178-S181 PolarHBondContact O-OG 2.85Å; T178-K182 WeakPolarHBondContact O-CB 3.35Å; T178-K182 WeakPolarHBondContact O-CG 3.23Å; T178-K182 PolarHBondContact O-N 2.7Å
179L88.4Confident86Confident2 Ų254.3 Ų54.31%0.0129%0.289CS..Hα-helixtrans-78.4-37179.8-45.7-171.9000111.1F105 I116 H171 K174 S175 L176 K177 K182 G183 I184 L185F105-L179 HydrophobicContact CE1-CD1 3.6Å; F105-L179 HydrophobicContact CE1-CD2 3.74Å; F105-L179 HydrophobicContact CE1-CG 4.29Å; F105-L179 HydrophobicContact CE2-CD2 4.05Å; F105-L179 HydrophobicContact CZ-CD1 3.99Å; F105-L179 HydrophobicContact CZ-CD2 3.24Å; F105-L179 HydrophobicContact CZ-CG 4.24Å; I116-L179 HydrophobicContact CD1-CD1 4.14Å; H171-L179 HydrophobicContact CB-CD1 4.18Å; K174-L179 HydrophobicContact CB-CD2 4.05Å; S175-L179 PolarHBondContact O-N 3.11Å; L176-L179 HydrophobicContact CD2-CD1 4.04Å; L176-L179 WeakPolarHBondContact O-CB 3.5Å; L176-L179 PolarHBondContact O-N 3.29Å; K177-L179 VanDerWaalsContact C-N 3.3Å; K177-L179 PolarHBondContact O-N 3.3Å; L179-K182 CarbonylContact O-C 3.52Å; L179-K182 PolarHBondContact O-N 2.92Å; L179-G183 PolarHBondContact O-N 3.42Å; L179-I184 PolarHBondContact O-N 3.14Å; L179-I184 VanDerWaalsContact O-N 3.13Å; L179-L185 HydrophobicContact CB-CB 4.28Å; L179-L185 HydrophobicContact CB-CD1 3.85Å; L179-L185 HydrophobicContact CB-CG 3.9Å; L179-L185 HydrophobicContact CD1-CD1 3.81Å; L179-L185 HydrophobicContact CD1-CG 4.35Å; L179-L185 HydrophobicContact CG-CD1 4.42Å; L179-L185 PolarHBondContact O-N 3.33Å
180M88.3Confident84.7Confident38 Ų3861 Ų6119%0.18733%0.332CS..Hα-helixtrans-65-43.7172.3-63.9173.87100111.7W165 K166 L176 K177 K182 G183 L185 V187W165-M180 HydrophobicContact CH2-SD 4.37Å; K166-M180 HydrophobicContact CD-CE 4.25Å; K166-M180 HydrophobicContact CD-SD 3.84Å; K166-M180 HydrophobicContact CG-SD 4.15Å; L176-M180 VanDerWaalsContact O-CG 3.29Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 3.04Å; K177-M180 PolarHBondContact O-N 2.78Å; M180-K182 PolarHBondContact O-N 3.17Å; M180-G183 PolarHBondContact O-N 3.1Å; M180-G183 VanDerWaalsContact O-N 3.13Å; M180-L185 WeakPolarHBondContact CA-O 3.5Å; M180-L185 HydrophobicContact CG-CB 4.09Å; M180-V187 HydrophobicContact CE-CB 4.08Å; M180-V187 HydrophobicContact CE-CG1 3.52Å; M180-V187 HydrophobicContact CE-CG2 3.41Å; M180-V187 VanDerWaalsContact CE-CG2 3.41Å; M180-V187 HydrophobicContact SD-CG1 4.47Å
181S86.1Confident83.5Confident96 Ų9663 Ų6367%0.67135%0.35SS*.THydrogen-bonded Turntrans-68.6-15.417558.60000114.1K177 T178K177-S181 PolarHBondContact O-N 2.79Å; K177-S181 PolarHBondContact O-OG 3.25Å; K177-S181 VanDerWaalsContact O-OG 3.14Å; T178-S181 WeakPolarHBondContact CA-OG 3.17Å; T178-S181 PolarHBondContact O-OG 2.85Å
182K84.9Confident82.6Confident144 Ų14464.5 Ų64.563%0.62636%0.361SS*.THydrogen-bonded Turntrans-96.23.9173.1-75.8-170.3172-153.50113.5T178 L179 M180 I184T178-K182 WeakPolarHBondContact O-CB 3.35Å; T178-K182 WeakPolarHBondContact O-CG 3.23Å; T178-K182 PolarHBondContact O-N 2.7Å; L179-K182 CarbonylContact O-C 3.52Å; L179-K182 PolarHBondContact O-N 2.92Å; M180-K182 PolarHBondContact O-N 3.17Å; K182-I184 HydrophobicContact CB-CD1 3.96Å; K182-I184 HydrophobicContact CB-CG1 4.03Å; K182-I184 HydrophobicContact CD-CD1 4.34Å; K182-I184 PolarHBondContact O-N 3.36Å; K182-I184 VanDerWaalsContact O-N 3.1Å
183G78.9Confident81.6Confident33 Ų3365.2 Ų65.234%0.3437%0.37SS..THydrogen-bonded Turntrans73.1-8-178.400000115.9L179 M180 L185L179-G183 PolarHBondContact O-N 3.42Å; M180-G183 PolarHBondContact O-N 3.1Å; M180-G183 VanDerWaalsContact O-N 3.13Å; G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact O-N 3.12Å
184I82.3Confident81Confident19 Ų1964.8 Ų64.810%0.09736%0.36CS..SBendtrans-62.8-37.1-179.3-55.8170.3000111.1T98 A102 F105 L179 K182T98-I184 HydrophobicContact CG2-CG1 4.35Å; A102-I184 HydrophobicContact CB-CD1 4.46Å; F105-I184 HydrophobicContact CD1-CG2 4.39Å; F105-I184 HydrophobicContact CD2-CD1 4.15Å; F105-I184 HydrophobicContact CE2-CD1 4.3Å; L179-I184 PolarHBondContact O-N 3.14Å; L179-I184 VanDerWaalsContact O-N 3.13Å; K182-I184 HydrophobicContact CB-CD1 3.96Å; K182-I184 HydrophobicContact CB-CG1 4.03Å; K182-I184 HydrophobicContact CD-CD1 4.34Å; K182-I184 PolarHBondContact O-N 3.36Å; K182-I184 VanDerWaalsContact O-N 3.1Å
185L84.3Confident79.7Confident5 Ų565.7 Ų65.73%0.02637%0.373CS..SBendtrans-117.5118174.1-67.6-175.7000110.7I116 L127 V129 L132 L176 L179 M180 G183I116-L185 HydrophobicContact CD1-CD1 3.98Å; I116-L185 HydrophobicContact CD1-CD2 4.17Å; L127-L185 HydrophobicContact CD2-CD1 4.3Å; V129-L185 HydrophobicContact CB-CD2 4.42Å; V129-L185 HydrophobicContact CG1-CD2 3.8Å; V129-L185 HydrophobicContact CG2-CD2 3.87Å; L132-L185 HydrophobicContact CD2-CB 4.16Å; L132-L185 HydrophobicContact CD2-CD1 4.06Å; L132-L185 HydrophobicContact CD2-CD2 4.37Å; L132-L185 HydrophobicContact CD2-CG 4.45Å; L176-L185 HydrophobicContact CD2-CD1 3.81Å; L179-L185 HydrophobicContact CB-CB 4.28Å; L179-L185 HydrophobicContact CB-CD1 3.85Å; L179-L185 HydrophobicContact CB-CG 3.9Å; L179-L185 HydrophobicContact CD1-CD1 3.81Å; L179-L185 HydrophobicContact CD1-CG 4.35Å; L179-L185 HydrophobicContact CG-CD1 4.42Å; L179-L185 PolarHBondContact O-N 3.33Å; M180-L185 WeakPolarHBondContact CA-O 3.5Å; M180-L185 HydrophobicContact CG-CB 4.09Å; G183-L185 VanDerWaalsContact C-N 3.31Å; G183-L185 PolarHBondContact O-N 3.12Å
186Q78.1Confident78.5Confident115 Ų11566.4 Ų66.454%0.53738%0.383SS..  trans-104.9125.3178.1-58.8-173.52200110.4
187V80.1Confident77.7Confident50 Ų5067.1 Ų67.130%0.30339%0.388SS..PPolyproline II helixtrans-93.9146.1160-64.10000107.6L132 W165 M180L132-V187 HydrophobicContact CD1-CG1 4.43Å; L132-V187 HydrophobicContact CG-CG1 4.05Å; W165-V187 HydrophobicContact CH2-CG1 4.5Å; M180-V187 HydrophobicContact CE-CB 4.08Å; M180-V187 HydrophobicContact CE-CG1 3.52Å; M180-V187 HydrophobicContact CE-CG2 3.41Å; M180-V187 VanDerWaalsContact CE-CG2 3.41Å; M180-V187 HydrophobicContact SD-CG1 4.47Å
188H78Confident76.4Confident65 Ų6569.7 Ų69.730%0.30140%0.395SS..PPolyproline II helixtrans-79.6154.3-179.8-68.4-157.7000110.3C133 C192 C194C133-H188 HydrophobicContact CB-CB 4.36Å; C133-H188 WeakPolarHBondContact O-CB 3.46Å; C133-H188 PolarHBondContact O-N 2.72Å; C133-H188 VanDerWaalsContact SG-CE1 3.56Å; C133-H188 PolarHBondContact SG-NE2 3.22Å; H188-C192 HydrophobicContact CB-CB 3.7Å; H188-C192 PolarHBondContact ND1-SG 3.28Å; H188-C194 PolarHBondContact CE1-SG 3.34Å; H188-C194 PolarHBondContact ND1-SG 2.87Å
189P73.4Confident75.1Confident77 Ų7771.7 Ų71.750%0.540%0.403SS..PPolyproline II helixtrans-54.4151.2167.3-2534.9000111.3I191 C192P189-I191 PolarHBondContact O-N 3.34Å; P189-C192 VanDerWaalsContact O-CB 3.24Å; P189-C192 WeakPolarHBondContact O-CB 3.43Å; P189-C192 PolarHBondContact O-N 2.9Å; P189-C192 VanDerWaalsContact O-N 3.15Å
190P64.4Low73.5Confident139 Ų13973 Ų7390%0.90341%0.412SS*.THydrogen-bonded Turntrans-64.2-9.3-178.826.5-34.8000114.2
191I67.3Low71.8Confident155 Ų15572.8 Ų72.880%0.79541%0.414SS*.THydrogen-bonded Turntrans-10827.8-179.7-30.4178.9000111.1P189P189-I191 PolarHBondContact O-N 3.34Å
192C73.8Confident70.3Confident37 Ų3773 Ų7325%0.2541%0.413CS..  trans-95.8118.7-174.9-174.50000113.5H188 P189 C194 C197H188-C192 HydrophobicContact CB-CB 3.7Å; H188-C192 PolarHBondContact ND1-SG 3.28Å; P189-C192 VanDerWaalsContact O-CB 3.24Å; P189-C192 WeakPolarHBondContact O-CB 3.43Å; P189-C192 PolarHBondContact O-N 2.9Å; P189-C192 VanDerWaalsContact O-N 3.15Å; C192-C194 VanDerWaalsContact C-N 3.33Å; C192-C194 PolarHBondContact O-N 3.17Å; C192-C197 WeakPolarHBondContact O-CB 3.43Å
193D66.1Low68.7Low122 Ų12272 Ų7265%0.65242%0.419SS*.  trans-87.425178.9-75.9-54000115.2R198D193-R198 WeakPolarHBondContact O-CD 3.39Å
194C72.3Confident67Low30 Ų3073.4 Ų73.420%0.20342%0.419CS..  trans-66156.5175.283.60000111.4H188 C192 G196 C197 R198H188-C194 PolarHBondContact CE1-SG 3.34Å; H188-C194 PolarHBondContact ND1-SG 2.87Å; C192-C194 VanDerWaalsContact C-N 3.33Å; C192-C194 PolarHBondContact O-N 3.17Å; C194-G196 VanDerWaalsContact C-N 3.29Å; C194-G196 PolarHBondContact O-N 3.25Å; C194-C197 PolarHBondContact O-N 2.95Å; C194-C197 PolarHBondContact SG-N 3.21Å; C194-C197 VanDerWaalsContact SG-SG 3.63Å; C194-R198 WeakPolarHBondContact O-CG 3.29Å; C194-R198 PolarHBondContact O-N 3.46Å
195P64.1Low65.3Low88 Ų8880.8 Ų80.857%0.57145%0.445SS*.Hα-helixtrans-52.9-43179.7-28.536000113.5C197 R198 I199P195-C197 PolarHBondContact O-N 3.35Å; P195-R198 PolarHBondContact O-N 3.38Å; P195-I199 WeakPolarHBondContact O-CB 3.44Å; P195-I199 WeakPolarHBondContact O-CD1 3.49Å; P195-I199 WeakPolarHBondContact O-CG1 3.47Å; P195-I199 PolarHBondContact O-N 3.25Å
196G67.2Low63.3Low32 Ų3282.7 Ų82.733%0.3347%0.467SS..Hα-helixtrans-59.9-44.417600000113.2C194 S200C194-G196 VanDerWaalsContact C-N 3.29Å; C194-G196 PolarHBondContact O-N 3.25Å; G196-S200 PolarHBondContact O-OG 3.49Å
197C71.8Confident61.6Low15 Ų1586.6 Ų86.610%0.10148%0.476CS..Hα-helixtrans-71.1-29.5176.9-73.50000113.4Q134 C192 C194 P195 S201Q134-C197 HydrophobicContact CG-CB 4.31Å; Q134-C197 PolarHBondContact NE2-O 3.22Å; C192-C197 WeakPolarHBondContact O-CB 3.43Å; C194-C197 PolarHBondContact O-N 2.95Å; C194-C197 PolarHBondContact SG-N 3.21Å; C194-C197 VanDerWaalsContact SG-SG 3.63Å; P195-C197 PolarHBondContact O-N 3.35Å; C197-S201 PolarHBondContact O-N 2.9Å
198R65.1Low59.7Low144 Ų14488.8 Ų88.854%0.54349%0.486SS..Hα-helixtrans-77-41.1177.3-68.5178.477.8171.49112.2D193 C194 P195 S201 N204D193-R198 WeakPolarHBondContact O-CD 3.39Å; C194-R198 WeakPolarHBondContact O-CG 3.29Å; C194-R198 PolarHBondContact O-N 3.46Å; P195-R198 PolarHBondContact O-N 3.38Å; R198-S201 WeakPolarHBondContact O-CB 3.19Å; R198-S201 PolarHBondContact O-N 3.25Å; R198-N204 WeakPolarHBondContact O-CB 3.43Å; R198-N204 PolarHBondContact O-ND2 3.34Å
199I61.4Low57.9Low100 Ų10088.6 Ų88.651%0.51350%0.495SS..Hα-helixtrans-64.8-45.7-176-71.1163000112.3P195P195-I199 WeakPolarHBondContact O-CB 3.44Å; P195-I199 WeakPolarHBondContact O-CD1 3.49Å; P195-I199 WeakPolarHBondContact O-CG1 3.47Å; P195-I199 PolarHBondContact O-N 3.25Å
200S56.1Low56.3Low30 Ų3090.5 Ų90.521%0.2150%0.501CS..THydrogen-bonded Turntrans-96.616.8177.950.10000113.7Q134 G196Q134-S200 PolarHBondContact NE2-O 2.9Å; Q134-S200 PolarHBondContact NE2-OG 2.69Å; Q134-S200 VanDerWaalsContact OE1-CB 3.32Å; Q134-S200 PolarHBondContact OE1-O 2.93Å; Q134-S200 PolarHBondContact OE1-OG 3.17Å; G196-S200 PolarHBondContact O-OG 3.49Å
201S52.5Low55.2Low32 Ų3291.4 Ų91.422%0.22449%0.491CS..  trans-68130.3164.4177.10000109.4C197 R198 V203 N204 R205C197-S201 PolarHBondContact O-N 2.9Å; R198-S201 WeakPolarHBondContact O-CB 3.19Å; R198-S201 PolarHBondContact O-N 3.25Å; S201-V203 PolarHBondContact O-N 3.38Å; S201-V203 VanDerWaalsContact O-N 3.12Å; S201-N204 PolarHBondContact O-N 3.41Å; S201-R205 PolarHBondContact O-N 2.96Å
202P54.4Low54.1Low100 Ų10094.8 Ų94.865%0.64949%0.494SS*.Hα-helixtrans-52.7-37.1-179.8-28.335.5000113.6N204 R205P202-N204 VanDerWaalsContact C-N 3.27Å; P202-N204 PolarHBondContact O-N 3.23Å; P202-R205 WeakPolarHBondContact O-CB 3.28Å; P202-R205 PolarHBondContact O-N 3.34Å; P202-R205 VanDerWaalsContact O-N 3.14Å
203V50.4Low52.2Low124 Ų12498.4 Ų98.475%0.75252%0.515SS*.Hα-helixtrans-62.4-31.7-179-174.20000112.5S201S201-V203 PolarHBondContact O-N 3.38Å; S201-V203 VanDerWaalsContact O-N 3.12Å
204N43.6Very low50.6Low62 Ų6298.8 Ų98.833%0.33252%0.522SS..Hα-helixtrans-90.4-10.9179.6-65.9-43.5000113.2R198 S201 P202 G206 R207 L208R198-N204 WeakPolarHBondContact O-CB 3.43Å; R198-N204 PolarHBondContact O-ND2 3.34Å; S201-N204 PolarHBondContact O-N 3.41Å; P202-N204 VanDerWaalsContact C-N 3.27Å; P202-N204 PolarHBondContact O-N 3.23Å; N204-G206 VanDerWaalsContact C-N 3.3Å; N204-G206 PolarHBondContact O-N 3.3Å; N204-R207 PolarHBondContact O-N 3.35Å; N204-L208 PolarHBondContact O-N 3.35Å; N204-L208 VanDerWaalsContact O-N 3.11Å
205R47.4Very low48.5Very low174 Ų174101.5 Ų101.566%0.65755%0.546SS*.Hα-helixtrans-66.9-31.5-175.5-147.9169.5-172.6156.4-1.7112.2S201 P202 A209S201-R205 PolarHBondContact O-N 2.96Å; P202-R205 WeakPolarHBondContact O-CB 3.28Å; P202-R205 PolarHBondContact O-N 3.34Å; P202-R205 VanDerWaalsContact O-N 3.14Å; R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.06Å
206G41.4Very low47.1Very low46 Ų46105 Ų10547%0.47456%0.559SS.*Hα-helixtrans-66.4-59.5168.700000112.4N204 L208 A209 D210N204-G206 VanDerWaalsContact C-N 3.3Å; N204-G206 PolarHBondContact O-N 3.3Å; G206-L208 PolarHBondContact O-N 3.02Å; G206-A209 WeakPolarHBondContact O-CB 3.46Å; G206-A209 PolarHBondContact O-N 2.99Å; G206-D210 PolarHBondContact O-N 3.42Å
207R42.5Very low45.3Very low197 Ų197109.2 Ų109.274%0.74358%0.581SS**Hα-helixtrans-66.9-6.3-174.1-157.6-177.2-76-102.55.5115N204 K211N204-R207 PolarHBondContact O-N 3.35Å; R207-K211 WeakPolarHBondContact O-CE 3.11Å
208L40.5Very low43.4Very low96 Ų96113.2 Ų113.250%0.50362%0.615SS.*Hα-helixtrans-102.4-23.1169.4-161.569.4000113.2N204 G206 K211N204-L208 PolarHBondContact O-N 3.35Å; N204-L208 VanDerWaalsContact O-N 3.11Å; G206-L208 PolarHBondContact O-N 3.02Å; L208-K211 PolarHBondContact O-N 3.38Å
209A41.1Very low41.8Very low60 Ų60111 Ų11150%0.49663%0.627SS.*Hα-helixtrans-66.6-43.717600000111.6R205 G206 K211 R212R205-A209 WeakPolarHBondContact O-CB 3.4Å; R205-A209 PolarHBondContact O-N 3.06Å; G206-A209 WeakPolarHBondContact O-CB 3.46Å; G206-A209 PolarHBondContact O-N 2.99Å; A209-K211 PolarHBondContact O-N 3.23Å; A209-R212 PolarHBondContact O-N 3.22Å
210D39.2Very low40.4Very low118 Ų118117.3 Ų117.363%0.63165%0.645SS**G310 helixtrans-55.4-24.3177.7-61.1-41.7000113.3G206 R212 T213G206-D210 PolarHBondContact O-N 3.42Å; D210-R212 VanDerWaalsContact C-N 3.26Å; D210-R212 PolarHBondContact O-N 3.02Å; D210-T213 PolarHBondContact O-N 2.91Å
211K41.2Very low39.3Very low157 Ų157124 Ų12468%0.68368%0.678SS**G310 helixtrans-83.96-177.5-53.7-164-179.4-165.60114.2R207 L208 A209R207-K211 WeakPolarHBondContact O-CE 3.11Å; L208-K211 PolarHBondContact O-N 3.38Å; A209-K211 PolarHBondContact O-N 3.23Å
212R43.5Very low38.2Very low226 Ų226130 Ų13085%0.85371%0.707SS**G310 helixtrans-107.9-3.9167.2-74.6-175.3170.9172.8-3.4113.6A209 D210 V214A209-R212 PolarHBondContact O-N 3.22Å; D210-R212 VanDerWaalsContact C-N 3.26Å; D210-R212 PolarHBondContact O-N 3.02Å; R212-V214 PolarHBondContact O-N 3.25Å
213T34.2Very low37Very low114 Ų114134.8 Ų134.870%0.69972%0.717SS**  trans-83.562.4171.8-44.20000110.3D210 A215D210-T213 PolarHBondContact O-N 2.91Å; T213-A215 PolarHBondContact O-N 2.91Å
214V33.1Very low35.9Very low130 Ų130138.8 Ų138.879%0.78873%0.725SS**PPolyproline II helixtrans-66.4123.5160.6176.40000106.6R212 L216R212-V214 PolarHBondContact O-N 3.25Å; V214-L216 PolarHBondContact O-N 3.47Å
215A27.2Very low35Very low87 Ų87142.8 Ų142.872%0.71974%0.741SS**PPolyproline II helixtrans-65.9124.2-171.900000111.7T213T213-A215 PolarHBondContact O-N 2.91Å
216L34.4Very low34Very low161 Ų161144.2 Ų144.284%0.84375%0.747SS**PPolyproline II helixtrans-69.5132.1156.6-67175000108V214 A218V214-L216 PolarHBondContact O-N 3.47Å; L216-A218 PolarHBondContact O-N 3.05Å
217P30.3Very low33.3Very low121 Ų121148.6 Ų148.679%0.78677%0.765SS**PPolyproline II helixtrans-68125.3179.527.1-33.5000110.6A219P217-A219 PolarHBondContact O-N 3.29Å
218A32.6Very low33.1Very low99 Ų99144.5 Ų144.582%0.81876%0.764SS**  trans-74.38817900000111.4L216 R220L216-A218 PolarHBondContact O-N 3.05Å; A218-R220 PolarHBondContact O-N 3.15Å
219A30.1Very low32.4Very low97 Ų97144.7 Ų144.780%0.80277%0.773SS**  trans-64.5122.617200000110.5P217P217-A219 PolarHBondContact O-N 3.29Å
220R32.4Very low31.7Very low232 Ų232151.2 Ų151.288%0.87579%0.79SS**  trans-73.1137.9-178.1-67.4171.9172160.9-5110.7A218 L222A218-R220 PolarHBondContact O-N 3.15Å; R220-L222 PolarHBondContact O-N 2.96Å
221N32.9Very low31.2Very low171 Ų171150.9 Ų150.991%0.91480%0.797SS**  trans-66.9114.7169.3-93.8-83.1000109.9
222L30.3Very low30.7Very low159 Ų159147.8 Ų147.883%0.83280%0.801SS**  trans-144.9102.6171.2-119.6165.9000112.1R220 K224R220-L222 PolarHBondContact O-N 2.96Å; L222-K224 PolarHBondContact O-N 3.33Å
223K28.4Very low30Very low199 Ų199142 Ų14287%0.86580%0.795SS**  trans-39.8117169.3170.6-170.4179179.50114.3
224K27.2Very low30Very low208 Ų208144 Ų14490%0.90480%0.801SS**  trans-160.3167.4136.5-128.3176.4178.51790114.8L222L222-K224 PolarHBondContact O-N 3.33Å
225E24.2Very low30.1Very low146 Ų146141.6 Ų141.668%0.68280%0.803SS**  trans-86.2164.1-175.8-87.4-163.5104.800115.3
226R27.8Very low30.3Very low205 Ų205144.8 Ų144.877%0.77481%0.808SS**  trans46.7130.6140.7-68172.8-176-113.5-2.2120.9
227T26.4Very low30.4Very low138 Ų138141.6 Ų141.685%0.84780%0.799SS**  178168.8113.624.30000109.6
228P38.3Very low30.5Very low111 Ų111144 Ų14472%0.72181%0.805SS**  cis-127.2-170.5-38.937.9-21.7000112.2
229S24.8Very low30.6Very low99 Ų99143 Ų14369%0.69281%0.805SS**  trans15.2138.4156.5-52.90000120.9
230F27.5Very low30.6Very low198 Ų198145 Ų14587%0.86881%0.813SS**  cis-136.916348.2-81.1-95000116.2
231S28.5Very low30.5Very low110 Ų110137.2 Ų137.277%0.76981%0.805SS**  trans-41.7152.2169.651.40000116
232A30Very low31.2Very low92 Ų92134.4 Ų134.476%0.7680%0.796SS**  cis-152.5-171.813.100000110.6
233S28.7Very low31.2Very low106 Ų106132.5 Ų132.574%0.74179%0.791SS**  cis-156.1-167.83.7-1350000112.2
234D34.9Very low31.2Very low155 Ų155129.3 Ų129.383%0.82979%0.792SS**  trans-46153.5178.7-40.7-79.8000119.2
235G34.5Very low31.3Very low79 Ų79122.8 Ų122.881%0.81478%0.784SS**  trans161.4113163.200000116.2
236D32.6Very low31.5Very low154 Ų154127.8 Ų127.882%0.82480%0.797SS**  trans-53.3139.4172.1-87.6-69.7000114.2
237S35.7Very low31.8Very low94 Ų94129 Ų12966%0.65780%0.802SS**  87.7137.267.8-55.40000114.8
238D33.6Very low32.6Very low172 Ų172128.6 Ų128.692%0.9280%0.801SS**  trans33.8131.1162.5-63.7-17.3000122.4
239G32.8Very low32.2Very low79 Ų79126.4 Ų126.481%0.81480%0.799SS**  trans-172.152.517900000117.3G241G239-G241 PolarHBondContact O-N 3.31Å
240S31.5Very low32.8Very low137 Ų137129.7 Ų129.796%0.95881%0.808SS**  trans-67120.9171.6-66.10000111.8
241G30.8Very low32.9Very low69 Ų69127.1 Ų127.171%0.71180%0.796SS**  trans-159.4152.1176.700000114.8G239G239-G241 PolarHBondContact O-N 3.31Å
242P46.4Very low33Very low113 Ų113128.3 Ų128.373%0.73479%0.79SS**  trans-133.2164.3-146.440.3-22.3000118
243T29.7Very low33.1Very low119 Ų119130 Ų13073%0.7378%0.782SS**  trans53.6122.914552.80000122.6
244C29.9Very low33.2Very low131 Ų131132.6 Ų132.689%0.88579%0.787SS**  trans60.6146.5139.877.20000121.7
245G29.3Very low33.1Very low72 Ų72128.1 Ų128.174%0.74278%0.777SS**  cis148.6155.6-13.600000114.8
246R28.4Very low33.6Very low250 Ų250130 Ų13094%0.94378%0.775SS**  trans-155.4145.8161.5-125.5176.9-176-124.71.2114
247R32.8Very low33.5Very low231 Ų231131.6 Ų131.687%0.87278%0.777SS**  trans-110-176.8166.2-82.2-174.1172.9-158.60.3108
248P44.6Very low33.3Very low129 Ų129134.9 Ų134.984%0.83879%0.786SS**  cis-127.4-176.50.735.9-16.1000113.9
249G30Very low33.1Very low65 Ų65137 Ų13767%0.6778%0.781SS**  cis155.6171.9-11.200000114.7
250L36.1Very low33.4Very low168 Ų168141.5 Ų141.588%0.8879%0.785SS**  trans74.7117172.2-49.7179.5000116.7
251K29.8Very low33.3Very low145 Ų145141.4 Ų141.463%0.6377%0.771SS**  82.9143.176.7-122.3-174.3-179.6-82.40111.5E253K251-E253 IonicContact NZ-OE1 3.28Å; K251-E253 PolarHBondContact NZ-OE1 3.32Å; K251-E253 IonicContact NZ-OE2 2.72Å; K251-E253 PolarHBondContact NZ-OE2 3.46Å
252Q30.3Very low33.6Very low135 Ų135148.5 Ų148.563%0.63178%0.782SS**  cis-163.4149.228.5-174.6154.9-800114.2
253E32.5Very low33Very low128 Ų128152.1 Ų152.160%0.59878%0.781SS**  trans19.5161.7157-69.5111.5-117.400122.5K251K251-E253 IonicContact NZ-OE1 3.28Å; K251-E253 PolarHBondContact NZ-OE1 3.32Å; K251-E253 IonicContact NZ-OE2 2.72Å; K251-E253 PolarHBondContact NZ-OE2 3.46Å
254D30.4Very low33Very low160 Ų160156.8 Ų156.886%0.85679%0.785SS**  cis-151.8-176.316.4-143.7-38.2000113
255G33.6Very low33Very low60 Ų60156.6 Ų156.662%0.61978%0.78SS**  trans-86-146.7-168.500000118.3
256P45.5Very low32.9Very low118 Ų118160.5 Ų160.577%0.76678%0.778SS**  cis-124158.730.541-29.4000117.3
257H29.4Very low33.2Very low188 Ų188154.2 Ų154.287%0.8777%0.768SS**  trans-93.3143.6155.8-95.424000110.3
258I32.4Very low33Very low163 Ų163151.8 Ų151.884%0.83677%0.766SS**  trans-117.7132.4164.7-64-177.7000109.9
259R29.4Very low32.3Very low218 Ų218155.1 Ų155.182%0.82376%0.762SS**  trans-95.7113.1-167.2-62.7154.672.3-176.66.2110.5M261R259-M261 PolarHBondContact O-N 3.35Å; R259-M261 VanDerWaalsContact O-N 3.09Å
260I38.4Very low32.4Very low173 Ų173158.7 Ų158.789%0.88777%0.766SS**  trans-69.6106.3166.2-59.5178.3000108K262I260-K262 PolarHBondContact O-N 3.46Å; I260-K262 VanDerWaalsContact O-N 3.13Å
261M30.5Very low32.1Very low134 Ų134157 Ų15766%0.6676%0.762SS**  trans-70.8107.1-180-64.3-16985.700110.9R259 R263R259-M261 PolarHBondContact O-N 3.35Å; R259-M261 VanDerWaalsContact O-N 3.09Å; M261-R263 VanDerWaalsContact C-N 3.31Å; M261-R263 PolarHBondContact O-N 3.17Å; M261-R263 PolarHBondContact SD-NH2 2.87Å; M261-R263 VanDerWaalsContact SD-NH2 3.43Å
262K36.9Very low32.1Very low219 Ų219156.6 Ų156.695%0.95277%0.767SS**  trans-61.695154.6-83.6-175.7174.7176.90108.5I260I260-K262 PolarHBondContact O-N 3.46Å; I260-K262 VanDerWaalsContact O-N 3.13Å
263R32.8Very low32Very low189 Ų189156.9 Ų156.971%0.71377%0.771SS**  trans-105108.3171.5-155.2-179.1-62.6-173.32.7109.4M261 V265M261-R263 VanDerWaalsContact C-N 3.31Å; M261-R263 PolarHBondContact O-N 3.17Å; M261-R263 PolarHBondContact SD-NH2 2.87Å; M261-R263 VanDerWaalsContact SD-NH2 3.43Å; R263-V265 PolarHBondContact O-N 2.95Å
264R30.7Very low31.9Very low217 Ų217154.9 Ų154.982%0.81977%0.771SS**  trans-64.6125.7170-178.3-168.2-62.2-158.62.1108.5
265V29.1Very low31.6Very low127 Ų127156.8 Ų156.877%0.7777%0.772SS**  trans-123.7141.9159.3-179.10000106.4R263R263-V265 PolarHBondContact O-N 2.95Å
266H27.2Very low31.6Very low153 Ų153163.9 Ų163.971%0.70878%0.781SS**  trans-76.2162.3-175.3-84.489.6000112.6
267T35.4Very low30.8Very low118 Ų118167.2 Ų167.272%0.72479%0.786SS**  trans-58.2135.2169.946.20000112.7
268H28.4Very low30.9Very low181 Ų181162.4 Ų162.484%0.83878%0.778SS**  trans-138.4142.8132.9-155.9-84.2000108.4
269W30Very low30.7Very low199 Ų199160.2 Ų160.275%0.75478%0.778SS**  trans-92.1177.9174.9-80.286.6000110.7
270D31.4Very low30.8Very low139 Ų139154.8 Ų154.874%0.74377%0.772SS**  trans55.499.2159-53.7-30.2000118.7
271V30.8Very low30.4Very low133 Ų133152.6 Ų152.681%0.80677%0.772SS**  trans-118.5103.1141.11790000108.2I273V271-I273 HydrophobicContact CG1-CG1 4.18Å; V271-I273 PolarHBondContact O-N 3.33Å
272N29Very low30.7Very low137 Ų137154.3 Ų154.373%0.73378%0.778SS**  trans-74.799.5175.1178.816.2000109.9S274N272-S274 PolarHBondContact O-N 2.95Å
273I29Very low30.5Very low141 Ų141151.7 Ų151.772%0.72378%0.775SS**  trans-81.172.7174.4-52.5-177.3000109.6V271 F275V271-I273 HydrophobicContact CG1-CG1 4.18Å; V271-I273 PolarHBondContact O-N 3.33Å; I273-F275 PolarHBondContact O-N 3.46Å
274S29Very low30.6Very low86 Ų86146 Ų14660%0.60178%0.775SS**  trans-7892.7163.858.50000109.4N272 R276N272-S274 PolarHBondContact O-N 2.95Å; S274-R276 PolarHBondContact O-N 3.41Å; S274-R276 VanDerWaalsContact O-N 3.17Å
275F25Very low31Very low199 Ų199143.1 Ų143.187%0.87378%0.776SS**  trans-75.8104.9168.8-135.9-89.9000108.8I273I273-F275 PolarHBondContact O-N 3.46Å
276R33.3Very low31.1Very low210 Ų210144.3 Ų144.379%0.79278%0.777SS**  trans-110.4121.5-179.7-169.3179.2-169.9-122.83.5108.2S274S274-R276 PolarHBondContact O-N 3.41Å; S274-R276 VanDerWaalsContact O-N 3.17Å
277E28.8Very low32.3Very low188 Ų188141.9 Ų141.988%0.87978%0.775SS**  trans-72.2135.7177.4-157.2155.8-145.400109.8
278A31.6Very low32.2Very low86 Ų86142.1 Ų142.171%0.71178%0.776SS**  trans-81.7150.5-179.700000109.6
279S28.9Very low32.4Very low118 Ų118140.3 Ų140.383%0.82577%0.772SS**  -147.7162.152.7-65.10000114
280C30.4Very low32.6Very low104 Ų104137.9 Ų137.970%0.70377%0.772SS**  trans-107.5153.9174.7-55.50000110.8
281S29.5Very low32.6Very low127 Ų127136.5 Ų136.589%0.88877%0.774SS**  trans-126.5147.8136.860.50000107.8
282Q37.3Very low32.5Very low169 Ų169134.8 Ų134.879%0.7977%0.767SS**  trans-151.8138.4-170174.8177.8-400108.2
283D33.1Very low32.7Very low165 Ų165133.8 Ų133.888%0.88277%0.766SS**  trans161.4144.8158.9-84.2-22.7000106.9
284G34.5Very low32.9Very low69 Ų69134.4 Ų134.471%0.71177%0.765SS**  cis-158.4177-6.600000109
285N38.7Very low33Very low156 Ų156140.1 Ų140.183%0.83477%0.774SS**  trans-111.9145.2-167-84.8-57.8000115.7
286L31.2Very low33.2Very low152 Ų152135.2 Ų135.280%0.79676%0.764SS**  trans69.8163.8152.6-94.658.1000117.9
287P52.8Low33.2Very low103 Ų103135 Ų13567%0.66976%0.763SS**  -145.3174.8-58.436.6-16.2000117.6
288T33.7Very low33.2Very low123 Ų123132.6 Ų132.676%0.75575%0.752SS**  trans87.5148.6148.2-3.60000122.7
289L33.2Very low33.1Very low142 Ų142135.6 Ų135.674%0.74376%0.755SS**  trans7688.7159-58.7-177.9000122.2
290I32.5Very low33.1Very low149 Ų149136.2 Ų136.276%0.76475%0.754SS**  36.8117.4111.1-54166.3000116.3
291S31.5Very low32.8Very low110 Ų110139.1 Ų139.177%0.76976%0.759SS**  178.4162.174.2-147.90000117.2
292S30.1Very low34.1Very low96 Ų96137.4 Ų137.467%0.67175%0.745SS**  trans56.698.9143.4-163.20000124.5
293V32.8Very low33.7Very low116 Ų116137.3 Ų137.370%0.70375%0.745SS**  27.9119.7117.6-173.60000120.6
294H32.4Very low33.6Very low154 Ų154136.3 Ų136.371%0.71373%0.734SS**  trans155.1155.3135.3-90.7-38000111.2
295R31.1Very low33.5Very low207 Ų207140.5 Ų140.578%0.78174%0.735SS**  cis-176.2147.7-20.2-168.9-176-159.7165.72.5108.6
296S28.7Very low33Very low96 Ų96138.8 Ų138.867%0.67174%0.735SS**  trans69.1148.5156.5144.80000116.2
297R34.3Very low32.8Very low205 Ų205142.2 Ų142.277%0.77474%0.738SS**  cis-160.4-166.2-5-99.2170.5-164.3-174.55105.4
298H29Very low31.7Very low137 Ų137141.6 Ų141.663%0.63474%0.735SS**  cis-171162.927.7-140-63.2000111.6
299L29.3Very low31.4Very low150 Ų150143 Ų14379%0.78573%0.733SS**  trans75.1141.1163.9-54.7172.4000116.1
300V28.6Very low31Very low130 Ų130143.5 Ų143.579%0.78873%0.729SS**  cis-138.31641.9-175.80000110.4
301M25.3Very low30.8Very low165 Ų165142.3 Ų142.381%0.81372%0.72SS**  trans-146.8165.6169.6-78.7-78.3-80.500108.6
302P55.8Low30.7Very low92 Ų92147.6 Ų147.660%0.59772%0.723SS**  cis-134.6-146.9-22.431.1-5.9000112.5
303E29.4Very low30.5Very low167 Ų167146.7 Ų146.778%0.7873%0.729SS**  trans82.9147.7164.8-58.6174.6-167.300117.4
304H30.8Very low30.2Very low143 Ų143146.2 Ų146.266%0.66273%0.731SS**  cis-153.5153.97.5-149.2-131.2000114.8
305Q31.7Very low30.1Very low157 Ų157146.4 Ų146.473%0.73474%0.737SS**  trans20.7139.5156.1-67.3179.8-2.900126.2
306S28Very low30Very low120 Ų120143.5 Ų143.584%0.83973%0.732SS**  177.5149.3121.737.70000112.3
307R28Very low30Very low225 Ų225145.8 Ų145.885%0.84974%0.735SS**  cis-167.2131.4-16.6175.8175.9-176.8-146.10.1112.5
308C28.5Very low29.6Very low90 Ų90138.8 Ų138.861%0.60873%0.727SS**  trans64.1154153.4-69.10000122.5
309E28.1Very low29.8Very low151 Ų151140.3 Ų140.371%0.70674%0.739SS**  cis-174.5175.5-29.5-131.2178.7137.900114.4
310F25.9Very low29.7Very low154 Ų154144.3 Ų144.368%0.67574%0.744SS**  trans73.6145.4162.2-85.5-134.7000120
311Q28.1Very low30.6Very low123 Ų123143.1 Ų143.158%0.57574%0.739SS**  cis-165.5127.4-16.9176.11639300115.3
312R29.4Very low30.8Very low221 Ų221140.2 Ų140.283%0.83474%0.741SS**  trans57119.6143.1-168-175.7-65.9176.6-0.2124.1
313G26.1Very low29.6Very low77 Ų77139 Ų13979%0.79475%0.745SS**  trans95.1158.6143.100000117.8
314S25Very low29.8Very low106 Ų106138.2 Ų138.274%0.74175%0.746SS**  cis-171.2156.5-14-1610000111
315L31.2Very low30Very low158 Ų158138 Ų13883%0.82775%0.749SS**  trans62.9156.5168.5-94.743.4000117
316E29.2Very low30.2Very low146 Ų146138.4 Ų138.468%0.68276%0.756SS**  cis-169.2160.4-24.1-121.8-70.37300108.8
317I29.2Very low30.3Very low144 Ų144136.4 Ų136.474%0.73875%0.754SS**  trans64.7146.6161.9-58.6155.5000117.1
318G25.8Very low30.8Very low59 Ų59134 Ų13461%0.60875%0.749SS**  cis150.8158.3-8.600000113.9
319L31.6Very low30.9Very low169 Ų169140.8 Ų140.889%0.88576%0.762SS**  trans72.3117.9173.8-45.3177.3000116.2
320R27.3Very low31.2Very low233 Ų233141.8 Ų141.888%0.87977%0.771SS**  cis64.5153.546.5-84-152.7-166.9138.10.2115.7
321P48.4Very low31.2Very low105 Ų105138.1 Ų138.168%0.68278%0.777SS**  cis-145.5178.1-33.340.7-23.7000115.3
322A30.1Very low31.2Very low105 Ų105144.1 Ų144.187%0.86880%0.795SS**  trans62.1159.7149.900000119.3
323G29.6Very low31.3Very low66 Ų66138.7 Ų138.768%0.6879%0.791SS**  cis-175.8156.6-9.900000114.3
324D33.3Very low32.1Very low151 Ų151140.8 Ų140.881%0.80779%0.79SS**  trans61.2127.7140.4-84.5-31.1000125.3
325L34.7Very low32.1Very low137 Ų137146.8 Ų146.872%0.71780%0.797SS**  trans85.1122.9135.2-65.7168.3000123.6
326L35.9Very low32Very low167 Ų167147 Ų14787%0.87480%0.797SS**  trans69.7129.5135.2-71.5166.3000122.2
327G30.5Very low31.7Very low77 Ų77145.3 Ų145.379%0.79480%0.801SS**  trans165.9115.9155.800000114.4
328K38.1Very low31.6Very low174 Ų174143.1 Ų143.176%0.75780%0.799SS**  trans-122.7127.8175.7-59.2-179.7-178.8-178.10111.6
329R31.8Very low31.6Very low234 Ų234147.9 Ų147.988%0.88381%0.81SS**  156.4170.5126-90.5173.7-74.9-131.92.5116
330L33.6Very low31.4Very low171 Ų171145.5 Ų145.590%0.89581%0.807SS**  trans-72.6158.2-174.1-66.666.5000114.2
331G25.9Very low31.2Very low78 Ų78144.9 Ų144.980%0.80481%0.81SS**  trans-142.3162.8161.300000111
332R28.6Very low30.2Very low248 Ų248143.8 Ų143.894%0.93681%0.806SS**  trans-104.4159.4-176.3-76-175.3173.8-171.9-0.7113.4
333S31.6Very low30.2Very low108 Ų108146 Ų14676%0.75580%0.798SS**  trans-67.5157.7167.7145.20000113.1
334P42Very low30.2Very low121 Ų121152.7 Ų152.779%0.78681%0.808SS**  trans-120.3-173.7132.137.2-31.3000113.1
335R26.7Very low30Very low232 Ų232156.1 Ų156.188%0.87581%0.81SS**  trans-102168.1-167.7-48.6176.1-178-173.9-0.7113.5
336I27.1Very low29.7Very low162 Ų162154.4 Ų154.483%0.83182%0.815SS**  trans169.6130.4138.6-87.8150.8000105.8
337S24.5Very low29.4Very low110 Ų110158.2 Ų158.277%0.76982%0.818SS**  cis89.776.514.8-1610000116.9
338S26.6Very low29.3Very low98 Ų98159.7 Ų159.769%0.68582%0.816SS**  trans-153.8100.4158.361.20000112.4
339D25.6Very low28.7Very low160 Ų160160.7 Ų160.786%0.85682%0.823SS**  trans52.8145.6133.4-48-36.7000123.3
340C26.7Very low28.6Very low119 Ų119154.4 Ų154.480%0.80482%0.816SS**  trans-80.3163.8179-48.30000112.8
341F23.1Very low29.1Very low219 Ų219151.1 Ų151.196%0.96181%0.805SS**  trans-134.3145.3142.9-110.3-81.2000111.3
342S28.9Very low29Very low83 Ų83156.3 Ų156.358%0.5881%0.808SS**  trans-116.6161.2-174.9-166.30000111.7
343E29.8Very low29Very low151 Ų151154.2 Ų154.271%0.70681%0.808SS**  trans52.9120.8154.6-75.1155.695.300122.1
344K29.9Very low28.8Very low206 Ų206153.4 Ų153.490%0.89681%0.809SS**  -157.5110.7126.5-99.1148.9-175.6176.10106.9
345R29.3Very low28.1Very low224 Ų224155.2 Ų155.285%0.84581%0.811SS**  69.913369.6-86.8-163.5173.7-127.10.9115.3
346A27.7Very low28.2Very low100 Ų100150.9 Ų150.983%0.82680%0.804SS**  trans66.9128176.800000115.7
347R28.9Very low28.8Very low248 Ų248150.5 Ų150.594%0.93680%0.803SS**  cis90.278.315.1-158.7-158.5-164.4-167.46.8117
348S28.2Very low29.3Very low108 Ų108150.8 Ų150.876%0.75580%0.802SS**  trans-171.2110.8146.550.70000106.8
349E25.6Very low29.4Very low194 Ų194155.7 Ų155.791%0.90781%0.806SS**  93.3145.269.4-168.6156.8-139.800111.8
350S30.3Very low29.5Very low103 Ų103154.8 Ų154.872%0.7280%0.797SS**  trans-104.1-155.2-169.4620000109
351P42.9Very low29.8Very low102 Ų102157 Ų15766%0.66280%0.799SS**  cis-134.6-178.9-7.232.3-9.7000114.5
352Q25.3Very low30.2Very low186 Ų186149.6 Ų149.687%0.86979%0.785SS**  164.2117.1114.7-88.1-177.81.200112.1
353E27.2Very low30.8Very low204 Ų204151.4 Ų151.495%0.95380%0.795SS**  trans-149.4137.5149.1-143.2174.5-179.200107.5
354A28.2Very low31.6Very low92 Ų92150.1 Ų150.176%0.7680%0.803SS**  trans-155.4131-171.300000112.4
355L27.7Very low32.4Very low158 Ų158144.4 Ų144.483%0.82778%0.78SS**  176.397.5125.3-92.9169.3000112.4
356L28.6Very low33.9Very low141 Ų141135.8 Ų135.874%0.73876%0.757SS**  trans34.8110.4138.9-55.1175.9000122
357L39.4Very low35.3Very low155 Ų155135.7 Ų135.781%0.81275%0.748SS**  66.7155126.4-74.6171.9000119.8
358P36Very low36.7Very low116 Ų116129.9 Ų129.975%0.75373%0.731SS**  cis-142.5161.336.543.6-24.5000120.1
359R29Very low38.2Very low201 Ų201127.6 Ų127.676%0.75871%0.711SS**  30.1126.1127.8-159.6172.9156.1163.5-5.4118.4
360E26.8Very low40.2Very low141 Ų141124.5 Ų124.566%0.65970%0.696SS**  -161.9172.887-103-58.4164.500115
361L33.8Very low41.6Very low164 Ų164127.2 Ų127.286%0.85969%0.691SS**  trans-86.7143.4-175.5-165.771.1000113
362G30.3Very low42.8Very low65 Ų65130.3 Ų130.367%0.6769%0.69SS**  trans-146.4140.8174.900000112
363P42.8Very low44.9Very low121 Ų121129.1 Ų129.179%0.78668%0.678SS**PPolyproline II helixtrans-86155.6-160.433.2-37.2000115.3M365P363-M365 PolarHBondContact O-N 2.94Å
364S45.7Very low46.8Very low124 Ų124123.8 Ų123.887%0.86766%0.655SS**PPolyproline II helixtrans-60.4128.7163.1-172.30000110.4
365M47.4Very low48.5Very low86 Ų86122.7 Ų122.742%0.42464%0.639SS.*PPolyproline II helixtrans-75.6133.7177.8-66.3-65.5-46.600110.6P363 D369P363-M365 PolarHBondContact O-N 2.94Å; M365-D369 HydrophobicContact CE-CB 3.48Å; M365-D369 VanDerWaalsContact CE-CB 3.48Å
366A61Low50Low43 Ų43118.1 Ų118.136%0.35562%0.62SS.*PPolyproline II helixtrans-70.2148.1170.900000111.3E368 D369 H370A366-E368 PolarHBondContact O-N 3.36Å; A366-E368 VanDerWaalsContact O-N 3.16Å; A366-D369 PolarHBondContact O-N 3.07Å; A366-D369 VanDerWaalsContact O-N 3.13Å; A366-H370 PolarHBondContact O-N 3.19Å
367P56.3Low51.3Low98 Ų98114.2 Ų114.264%0.63661%0.608SS**Hα-helixtrans-53.4-34.9178.4-27.335.5000113.9D369 H370 Y371P367-D369 VanDerWaalsContact C-N 3.33Å; P367-D369 PolarHBondContact O-N 3.43Å; P367-H370 WeakPolarHBondContact O-CB 3.34Å; P367-H370 PolarHBondContact O-N 3.46Å; P367-Y371 PolarHBondContact O-N 3.47Å
368E57.6Low51.6Low125 Ų125113 Ų11358%0.58460%0.601SS**Hα-helixtrans-64.2-35.3-178.6-66.466.9-148.400112.3A366 Y371 R372A366-E368 PolarHBondContact O-N 3.36Å; A366-E368 VanDerWaalsContact O-N 3.16Å; E368-Y371 PolarHBondContact O-N 2.67Å; E368-R372 WeakPolarHBondContact O-CG 3.5Å; E368-R372 PolarHBondContact O-N 2.93Å
369D59.5Low52.1Low60 Ų60111.2 Ų111.232%0.32159%0.592SS.*Hα-helixtrans-81.3-24.5177.8-73.9-37.9000112.4M365 A366 P367 R372 R373M365-D369 HydrophobicContact CE-CB 3.48Å; M365-D369 VanDerWaalsContact CE-CB 3.48Å; A366-D369 PolarHBondContact O-N 3.07Å; A366-D369 VanDerWaalsContact O-N 3.13Å; P367-D369 VanDerWaalsContact C-N 3.33Å; P367-D369 PolarHBondContact O-N 3.43Å; D369-R372 IonicContact OD1-NE 2.71Å; D369-R372 IonicContact OD1-NH2 3.7Å; D369-R372 PolarHBondContact OD1-NH2 2.75Å; D369-R373 WeakPolarHBondContact O-CG 3.26Å; D369-R373 PolarHBondContact O-N 3.34Å
370H67.9Low52.7Low129 Ų129108.8 Ų108.860%0.59759%0.589SS**Hα-helixtrans-65.5-45.8165.5-173.786.5000110.3A366 P367 R372 R373 L374A366-H370 PolarHBondContact O-N 3.19Å; P367-H370 WeakPolarHBondContact O-CB 3.34Å; P367-H370 PolarHBondContact O-N 3.46Å; H370-R372 PolarHBondContact O-N 3.42Å; H370-R373 PolarHBondContact O-N 2.82Å; H370-L374 PolarHBondContact O-N 3.43Å
371Y60.1Low53.2Low160 Ų160106.2 Ų106.263%0.62759%0.592SS**Hα-helixtrans-59.4-44.9174.1-176.5-97.8000112.1P367 E368 R373 L374 V375P367-Y371 PolarHBondContact O-N 3.47Å; E368-Y371 PolarHBondContact O-N 2.67Å; Y371-R373 PolarHBondContact O-N 3.1Å; Y371-L374 PolarHBondContact O-N 3.13Å; Y371-V375 HydrophobicContact CD1-CG2 4.16Å; Y371-V375 HydrophobicContact CE1-CG2 3.77Å; Y371-V375 WeakPolarHBondContact O-CG2 3.4Å; Y371-V375 PolarHBondContact O-N 3.03Å
372R67.6Low53Low167 Ų167103.1 Ų103.163%0.6358%0.584SS**Hα-helixtrans-65-38.6177.3-72.8-149.9-68.9178.7-4.2113.4E368 D369 H370 L374 V375 S376E368-R372 WeakPolarHBondContact O-CG 3.5Å; E368-R372 PolarHBondContact O-N 2.93Å; D369-R372 IonicContact OD1-NE 2.71Å; D369-R372 IonicContact OD1-NH2 3.7Å; D369-R372 PolarHBondContact OD1-NH2 2.75Å; H370-R372 PolarHBondContact O-N 3.42Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.11Å; R372-V375 PolarHBondContact O-N 3.31Å; R372-S376 PolarHBondContact O-N 3.4Å; R372-S376 PolarHBondContact O-OG 3.19Å
373R69.7Low53.2Low162 Ų162106 Ų10661%0.61159%0.589SS**Hα-helixtrans-62.1-38.5172.4-75.3177.6-176.3172.45.5112.3D369 H370 Y371 S376 A377D369-R373 WeakPolarHBondContact O-CG 3.26Å; D369-R373 PolarHBondContact O-N 3.34Å; H370-R373 PolarHBondContact O-N 2.82Å; Y371-R373 PolarHBondContact O-N 3.1Å; R373-S376 PolarHBondContact O-N 3.02Å; R373-A377 WeakPolarHBondContact O-CB 3.19Å; R373-A377 PolarHBondContact O-N 3.44Å
374L68.2Low52.5Low91 Ų91109.5 Ų109.548%0.47659%0.592SS.*Hα-helixtrans-67.2-40.8177.4-160.2155.7000111.5H370 Y371 R372 L378H370-L374 PolarHBondContact O-N 3.43Å; Y371-L374 PolarHBondContact O-N 3.13Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.11Å; L374-L378 HydrophobicContact CD2-CD1 3.91Å; L374-L378 WeakPolarHBondContact O-CG 3.28Å; L374-L378 PolarHBondContact O-N 2.77Å
375V62.5Low52Low70 Ų70111.5 Ų111.542%0.42459%0.588SS.*Hα-helixtrans-65.1-40.5172.7173.70000112Y371 R372 L378 S379Y371-V375 HydrophobicContact CD1-CG2 4.16Å; Y371-V375 HydrophobicContact CE1-CG2 3.77Å; Y371-V375 WeakPolarHBondContact O-CG2 3.4Å; Y371-V375 PolarHBondContact O-N 3.03Å; R372-V375 PolarHBondContact O-N 3.31Å; V375-L378 PolarHBondContact O-N 3.32Å; V375-S379 PolarHBondContact O-N 3.45Å
376S60.1Low51.7Low62 Ų62112.8 Ų112.843%0.43460%0.596SS.*Hα-helixtrans-64.1-44.9175.3-69.90000112.5R372 R373 L378 S379 E380R372-S376 PolarHBondContact O-N 3.4Å; R372-S376 PolarHBondContact O-OG 3.19Å; R373-S376 PolarHBondContact O-N 3.02Å; S376-L378 PolarHBondContact O-N 3.46Å; S376-S379 WeakPolarHBondContact O-CA 3.41Å; S376-S379 PolarHBondContact O-N 2.86Å; S376-S379 PolarHBondContact O-OG 3.13Å; S376-E380 PolarHBondContact O-N 3.29Å
377A55Low50.7Low59 Ų59116.2 Ų116.249%0.48862%0.615SS.*Hα-helixtrans-61.3-30.5177.600000113R373 S379R373-A377 WeakPolarHBondContact O-CB 3.19Å; R373-A377 PolarHBondContact O-N 3.44Å; A377-S379 VanDerWaalsContact C-N 3.34Å
378L45.8Very low49.5Very low128 Ų128119.5 Ų119.567%0.6762%0.622SS**Hα-helixtrans-72.9-23.5172.2-70170.4000113.2L374 V375 S376L374-L378 HydrophobicContact CD2-CD1 3.91Å; L374-L378 WeakPolarHBondContact O-CG 3.28Å; L374-L378 PolarHBondContact O-N 2.77Å; V375-L378 PolarHBondContact O-N 3.32Å; S376-L378 PolarHBondContact O-N 3.46Å
379S46.5Very low48.3Very low79 Ų79124.5 Ų124.555%0.55264%0.635SS**Hα-helixtrans-85.3-23.1177.669.20000114.3V375 S376 A377 A381V375-S379 PolarHBondContact O-N 3.45Å; S376-S379 WeakPolarHBondContact O-CA 3.41Å; S376-S379 PolarHBondContact O-N 2.86Å; S376-S379 PolarHBondContact O-OG 3.13Å; A377-S379 VanDerWaalsContact C-N 3.34Å; S379-A381 VanDerWaalsContact C-N 3.26Å; S379-A381 PolarHBondContact O-N 3.36Å
380E42.6Very low47Very low151 Ų151129.9 Ų129.971%0.70666%0.663SS**THydrogen-bonded Turntrans-76.6-12.5177.2-68.9175.5164.500112.9S376 S382S376-E380 PolarHBondContact O-N 3.29Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.9Å
381A36.4Very low45.3Very low87 Ų87133.9 Ų133.972%0.71968%0.675SS**THydrogen-bonded Turntrans-80.64-175.800000115.4S379S379-A381 VanDerWaalsContact C-N 3.26Å; S379-A381 PolarHBondContact O-N 3.36Å
382S30.9Very low43.9Very low99 Ų99134.9 Ų134.969%0.69269%0.685SS**  trans-12685.8-177.862.80000113.1E380E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.9Å
383T33.2Very low42Very low126 Ų126136 Ų13677%0.77370%0.702SS**  trans-119.497.2177.856.20000112.3
384F27.9Very low39.8Very low194 Ų194131.3 Ų131.385%0.85171%0.705SS**  trans-158.1109.7150-150.2-105.8000114.7
385E35.2Very low38Very low166 Ų166135.3 Ų135.378%0.77673%0.726SS**  trans59.4144.1154.7-65.6-70.574.300123.3
386D41.5Very low37Very low112 Ų112138 Ų13860%0.59974%0.744SS**  trans-106168.7-174.1-173.542.2000110.7Q388D386-Q388 PolarHBondContact OD1-N 2.98Å; D386-Q388 PolarHBondContact OD2-N 3.11Å
387P40.2Very low35.6Very low115 Ų115140.5 Ų140.575%0.74776%0.762SS**  -148.9112.99734.1-14.7000115.3R389P387-R389 PolarHBondContact O-N 3.34Å
388Q31.7Very low35.2Very low168 Ų168146.5 Ų146.579%0.78578%0.78SS**  trans-70.996161.4-74.1-164.2-11.400110.7D386D386-Q388 PolarHBondContact OD1-N 2.98Å; D386-Q388 PolarHBondContact OD2-N 3.11Å
389R32.8Very low34.7Very low229 Ų229147 Ų14786%0.86478%0.783SS**  trans-131.8144159.4-76.7-170.7162.5172.5-4.3111P387P387-R389 PolarHBondContact O-N 3.34Å
390L30.6Very low34.3Very low173 Ų173151.1 Ų151.191%0.90680%0.798SS**  trans74.673.9-178-62.1142.7000116
391Y33Very low34.1Very low213 Ų213152.3 Ų152.384%0.83581%0.808SS**  trans-107158.2139.4-91-82.3000109.5
392H30.1Very low34.3Very low182 Ų182158.1 Ų158.184%0.84381%0.811SS**  trans84.580.6178.2-52.592.2000117.9
393L28.2Very low34.8Very low189 Ų189159.4 Ų159.499%0.9982%0.815SS**  -158.5147.6127.7-99154000106.2
394G24.3Very low35.1Very low65 Ų65165 Ų16567%0.6782%0.822SS**  trans-148.4-162.2-159.800000117.3
395L29.1Very low35.6Very low175 Ų175164.3 Ų164.392%0.91682%0.821SS**  trans74.5160-171.8-53.1176.7000114.5
396P41.6Very low36Very low125 Ų125164.9 Ų164.981%0.81282%0.824SS**  cis-123.8-171.40.839.5-22.8000115.2
397S31.4Very low35.9Very low115 Ų115166.3 Ų166.380%0.80484%0.836SS**  trans-70.7170.7-171.5-53.80000117.4
398H46.4Very low35.6Very low186 Ų186165.5 Ų165.586%0.86184%0.839SS**SBendtrans-43.1131.7155.5-84.7-122.7000112.8
399D35.4Very low35.9Very low137 Ų137162.2 Ų162.273%0.73384%0.841SS**  trans-174.1-20.4136.1-108.9-26.2000114.5L401D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.38Å
400L37.3Very low35.9Very low166 Ų166156.3 Ų156.387%0.86984%0.841SS**THydrogen-bonded Turntrans-82.924.3-165.7-93.1169.4000118.1
401L38Very low35.9Very low177 Ų177152.4 Ų152.493%0.92783%0.834SS**THydrogen-bonded Turntrans-121.18.5177.4-72.4178000115.5D399D399-L401 VanDerWaalsContact C-N 3.34Å; D399-L401 PolarHBondContact O-N 3.38Å
402R40.9Very low35.8Very low208 Ų208150.3 Ų150.379%0.78584%0.836SS**SBendtrans-91.4-15.5178.2-169.3162.8-74.6158.9-1.1114.9
403V42.2Very low36Very low126 Ų126152.8 Ų152.876%0.76484%0.838SS**SBendtrans-97.1-1.5-164.3-1800000114.5
404R39.2Very low36.1Very low245 Ų245147.1 Ų147.193%0.92583%0.825SS**SBendtrans-119.121.1-172.1-138.3174.5-168.3-1091.2116.5
405Q38.7Very low37.1Very low179 Ų179149.7 Ų149.784%0.83683%0.83SS**SBendtrans-1275178.3-161.6149.710.400115.4
406E42.4Very low37.1Very low177 Ų177147 Ų14783%0.82783%0.826SS**SBendtrans-103.21.2178-64.3-168.4132.600114.6
407V39.9Very low36.5Very low142 Ų142144.7 Ų144.786%0.86183%0.825SS**SBendtrans-111.343.3-177.2-159.60000111.9
408A34.2Very low36.6Very low98 Ų98147.2 Ų147.281%0.8183%0.828SS**SBendtrans-130.412.6-179.700000114
409A36.9Very low35.6Very low100 Ų100146.7 Ų146.783%0.82683%0.826SS**SBendtrans-138.820.6-170.400000115.1
410A34.6Very low35.3Very low105 Ų105144.4 Ų144.487%0.86883%0.826SS**SBendtrans-149.832.6-174.700000116.4
411A30.7Very low34.8Very low90 Ų90145.1 Ų145.174%0.74483%0.825SS**  trans-160.2143.917100000110
412L30.9Very low34.6Very low169 Ų169144.6 Ų144.689%0.88582%0.822SS**  cis-150.9165.5-6.2-116170.1000109
413R33Very low34.5Very low235 Ų235141 Ų14189%0.88783%0.826SS**  trans-73.6156164.8-61.1173.8-176.3143.3-0.3109.1
414G29.8Very low33.8Very low69 Ų69140.7 Ų140.771%0.71183%0.829SS**  trans-65.1179.7167.500000112.9
415P46.6Very low33.3Very low120 Ų120134.2 Ų134.278%0.77982%0.822SS**  cis-145-177.341.339.3-18.9000117.6
416S28.1Very low32.8Very low118 Ų118131.8 Ų131.883%0.82582%0.819SS**  trans59.2130.7146.759.80000122.4
417G29.1Very low32.3Very low77 Ų77128 Ų12879%0.79482%0.818SS**  trans166.197.8159.900000117.8
418L33.8Very low31.9Very low168 Ų168124.5 Ų124.588%0.8881%0.81SS**  trans28105.4148.9-65.5164.3000122.1
419E26.4Very low31.9Very low175 Ų175128 Ų12882%0.81881%0.81SS**  17.2121.7113.4-166.3171.4158.600120.8
420A28.2Very low31.8Very low89 Ų89132 Ų13274%0.73680%0.804SS**  trans-169.2119.6149.100000115.4
421H27Very low31.7Very low181 Ų181136.6 Ų136.684%0.83880%0.799SS**  trans26.6131.6146.4-51.8-68.7000125
422L33.3Very low32.3Very low165 Ų165142 Ų14286%0.86481%0.805SS**  trans-75.6160.8148.7-63.7168.5000110.9
423P38.6Very low32.6Very low134 Ų134143.6 Ų143.687%0.8781%0.808SS**  -142.7-170.699.837.8-22.1000115
424S28.5Very low32.5Very low119 Ų119136 Ų13683%0.83280%0.804SS**  trans-121.3-163.4-166.9-172.20000113.1
425S27.4Very low32.6Very low109 Ų109140.9 Ų140.976%0.76281%0.812SS**  trans79.4152.5178.7-120.40000115.5
426T29.8Very low31.8Very low127 Ų127139.1 Ų139.178%0.77981%0.808SS**  cis-131.91581.236.10000109.5
427A32Very low31.9Very low98 Ų98142 Ų14281%0.8181%0.808SS**  cis94.4119.229.200000116.2
428G30.1Very low31.8Very low68 Ų68145.7 Ų145.770%0.70180%0.804SS**  trans-175.7109.4171.400000110.9
429Q36Very low31.7Very low172 Ų172146.1 Ų146.180%0.80480%0.795SS**  80.114279.6-75.7-166.328.500113.4
430R33.1Very low31.8Very low184 Ų184145.3 Ų145.369%0.69479%0.791SS**  cis-167.5169.816-138.6176.5-176.9-94.67114.7
431R33.2Very low31.9Very low202 Ų202144.6 Ų144.676%0.76279%0.792SS**  trans73.6131.8161.7-60.2163.9-168.9-118.85116
432K44.3Very low32Very low203 Ų203140.7 Ų140.788%0.88379%0.791SS**  cis75.9115.45.6-79.8-163175.8-170.90121.2
433Q36.9Very low31.9Very low203 Ų203137.3 Ų137.395%0.94979%0.786SS**  trans174.9153.7134.2-96.2164.1-23.700107.8
434G30.5Very low32.9Very low76 Ų76136.7 Ų136.778%0.78478%0.783SS**  cis179.4-176.5-2.400000107.9
435L31.2Very low32.9Very low170 Ų170135.7 Ų135.789%0.8978%0.782SS**  cis-172.1155.2-14.9-174.665.1000109.3
436A30.1Very low32.8Very low84 Ų84135.3 Ų135.369%0.69479%0.785SS**  trans69.6159.5164.900000118.8
437Q30.2Very low32.9Very low178 Ų178133.5 Ų133.583%0.83278%0.783SS**  cis-162.1152.3-21.3-113.2-179.14.800112.5
438H26.9Very low33.7Very low154 Ų154134.9 Ų134.971%0.71378%0.783SS**  trans59.7123.9149.1-106.1-146.2000125.5
439R32.3Very low33.7Very low178 Ų178136.6 Ų136.667%0.67279%0.785SS**  trans67.5145.6134.4-76-171.793.193.32120.4
440E27.7Very low33.4Very low158 Ų158137.1 Ų137.174%0.73879%0.785SS**  cis-120.2-122.9-10.9-63.3-152.1-152.500111.8
441G31.1Very low33.2Very low73 Ų73131.7 Ų131.775%0.75378%0.775SS**  cis142.3143.8-1.100000110.6
442A28.8Very low33Very low99 Ų99128.4 Ų128.482%0.81877%0.769SS**  cis-143.5133.6-4.900000107.7
443A31.8Very low32.5Very low94 Ų94127 Ų12778%0.77776%0.758SS**  99.4157.184.100000112.4
444P58.3Low32Very low122 Ų122124.5 Ų124.579%0.79275%0.746SS**  -145.8-153.9-109.941.7-18.4000116.4
445A28.4Very low32Very low98 Ų98128.7 Ų128.781%0.8175%0.749SS**  trans90.4150.416400000117
446A25.7Very low32.7Very low100 Ų100125.4 Ų125.483%0.82674%0.739SS**  cis-144.9165.5800000114.2
447A31.8Very low32.8Very low90 Ų90130.3 Ų130.374%0.74475%0.747SS**  trans-121.9172.7156.500000107.9
448P49.2Very low33.6Very low126 Ų126127.3 Ų127.382%0.81874%0.743SS**  -160.3-158.384.243.6-22.1000115.8
449S31.1Very low34.8Very low105 Ų105125.2 Ų125.273%0.73474%0.743SS**  trans86.1133.4164.6-136.50000116.4
450F28.7Very low35.9Very low183 Ų183121.7 Ų121.780%0.80374%0.743SS**  cis-169.7162.6-2.6-132.5-144.9000107.6
451S29.8Very low36.1Very low70 Ų70121.6 Ų121.649%0.4975%0.747SS.*  cis-160.9178.2-19.1-153.30000109.9
452E28.6Very low36Very low133 Ų133126 Ų12662%0.62175%0.753SS**  trans27150.3141-71.9173.1102.900123.7
453R33.5Very low36.1Very low173 Ų173126.6 Ų126.665%0.65375%0.751SS**  cis-163.9145.25.4-133.9175154.5105.711116.3
454E26.3Very low36.7Very low151 Ų151127.4 Ų127.471%0.70675%0.748SS**  trans61.8-178.1140.2-82163.9-166.400125.1
455L30.2Very low35.5Very low163 Ų163129.5 Ų129.585%0.85375%0.747SS**  trans-144.2-163.1-146.4-132.866.5000109.9
456P47.1Very low35.6Very low102 Ų102132 Ų13266%0.66275%0.747SS**  cis-138.5161.1-23.339.3-20.8000118.2
457Q32.2Very low35.7Very low186 Ų186131.7 Ų131.787%0.86974%0.744SS**  trans40.6162140.1-77.4-170.9-8.400125.7
458P46.3Very low36.4Very low115 Ų115132.1 Ų132.175%0.74774%0.739SS**  cis-130.6-95.1-11.425.52.6000119
459P52.8Low35.5Very low110 Ų110134.8 Ų134.871%0.71474%0.74SS**  trans-134.1-140.2-154.342.5-16.3000113.7
460P55.4Low35.9Very low105 Ų105136.4 Ų136.468%0.68275%0.746SS**  cis-140.2-168.9-18.636.6-13.3000117.4
461L30.7Very low35.9Very low155 Ų155132.3 Ų132.381%0.81275%0.746SS**  trans74.1117157.7-60.8-177000124.1
462L29.9Very low35.9Very low167 Ų167137.2 Ų137.287%0.87477%0.766SS**  160.8158.8113.6-85.8-176.6000114.1
463S30.2Very low35.9Very low111 Ų111134.4 Ų134.478%0.77677%0.772SS**  trans-140.6162.2175.7-48.40000110.3
464P44.2Very low36.2Very low111 Ų111131 Ų13172%0.72177%0.773SS**  -157.9161.489.540.6-21000119.7
465Q34.4Very low36.5Very low166 Ų166132 Ų13278%0.77678%0.777SS**  trans78.2136.6143-83.8179.465.900124.9
466N28.5Very low36.6Very low151 Ų151131.2 Ų131.281%0.80777%0.773SS**  trans85.1141.6154.8-61.2-26.8000121.5
467A28.9Very low35.8Very low93 Ų93136.7 Ų136.777%0.76978%0.78SS**  trans-147.6-169.5-172.200000107
468P46.2Very low36.2Very low98 Ų98133.3 Ų133.364%0.63677%0.774SS**  cis-144.4-176.17.535.7-11.3000118
469H30.7Very low36.3Very low182 Ų182133.9 Ų133.984%0.84378%0.778SS**  trans78.9167.8158.4-56.2-45.1000120.8
470V40Very low35.3Very low139 Ų139137.8 Ų137.884%0.84278%0.784SS**  trans-133150.4-157.5175.10000110.9
471A28.3Very low34.7Very low98 Ų98140.9 Ų140.981%0.8179%0.794SS**  trans-144.8160.7168.800000112.2
472L29.4Very low34.7Very low173 Ų173137.2 Ų137.291%0.90679%0.794SS**  trans-121.2131.1-174.5-80.7167.6000113.5
473G27.6Very low35.2Very low73 Ų73135.5 Ų135.575%0.75379%0.79SS**  trans70.2-173.7158.900000118
474P40.3Very low35.6Very low103 Ų103136.2 Ų136.267%0.66979%0.792SS**  cis-140.1175-8.443.9-28000116.1
475H33.6Very low35.5Very low172 Ų172136.4 Ų136.480%0.79680%0.796SS**  trans52.7125.3156.7-48.6-48.7000122.2
476L32.7Very low36Very low145 Ų145132.9 Ų132.976%0.75980%0.795SS**  -180132.6103.7-96.5170.2000115.1
477R28.7Very low36.2Very low218 Ų218134 Ų13482%0.82380%0.8SS**  trans72150.2162.9-68.6-170.3175.584.52.7120.7
478P41.4Very low36.4Very low114 Ų114135.8 Ų135.874%0.7481%0.806SS**  trans-108.6174.8-176.342.9-36.1000114.4
479P47.7Very low36Very low127 Ų127140 Ų14083%0.82582%0.817SS**  trans-133.3-168.7137.139.5-27.9000114
480F31.5Very low36.1Very low192 Ų192137.9 Ų137.984%0.84282%0.817SS**  trans-86.3159.1-165.9-77.5-107.3000115.9
481L44Very low36.3Very low170 Ų170137.7 Ų137.789%0.8982%0.818SS**  trans50.7118.4145.1-66.6167.4000120.3
482G29.9Very low37Very low79 Ų79136.4 Ų136.481%0.81482%0.815SS**  trans179.9123.8160.300000112.2
483V40.3Very low37.6Very low130 Ų130139.4 Ų139.479%0.78882%0.816SS**  trans-100.6151.8170.9-138.90000108.3
484P39Very low38.2Very low126 Ų126139.2 Ų139.282%0.81881%0.813SS**  -143.3162.789.538.2-23.3000114.9
485S42.7Very low38.4Very low116 Ų116144 Ų14481%0.81182%0.824SS**  trans-87.4127.9178.7-54.90000112.7
486A44.3Very low39.4Very low91 Ų91140.4 Ų140.475%0.75281%0.81SS**  trans-155.9166.7161.100000110.1
487L32.3Very low40.9Very low174 Ų174137 Ų13791%0.91180%0.797SS**  trans71.343.1175.6-52.9-179.8000117.7Q489L487-Q489 PolarHBondContact O-N 3.14Å
488C33.7Very low42.4Very low132 Ų132131 Ų13189%0.89279%0.786SS**  trans-8181.4153.5-67.50000110.9
489Q38.8Very low43.4Very low186 Ų186128.3 Ų128.387%0.86977%0.774SS**  trans-143.880.4162.4-74.7-157.730.600112.2L487L487-Q489 PolarHBondContact O-N 3.14Å
490T32Very low44.1Very low137 Ų137127 Ų12784%0.8476%0.757SS**  trans-128.7124.9154.737.80000108.1
491P45.1Very low46Very low135 Ų135120.3 Ų120.388%0.87774%0.736SS**  trans-82.9143.5-174.832.4-34.3000111.7
492G43Very low47.5Very low71 Ų71118 Ų11873%0.73272%0.721SS**  trans104.260.6162.900000116.9
493Y41.1Very low49.4Very low237 Ų237120 Ų12093%0.92971%0.71SS**  trans-133.8127142.7-111.6-87.3000109.4
494G40.4Very low51.2Low68 Ų68119.3 Ų119.370%0.70170%0.697SS**  trans-73134.4178.800000110.9L496G494-L496 PolarHBondContact O-N 3.4Å; G494-L496 VanDerWaalsContact O-N 3.16Å
495F44.8Very low53.3Low203 Ų203116 Ų11689%0.8968%0.68SS**  trans-70.4108.3172.4-154.4-86.2000108.3
496L53.8Low55.3Low98 Ų98119.1 Ų119.151%0.51367%0.674SS.*  trans-61.7134176.1-73.4172000109.4G494 Q500G494-L496 PolarHBondContact O-N 3.4Å; G494-L496 VanDerWaalsContact O-N 3.16Å; L496-Q500 HydrophobicContact CB-CB 4.38Å; L496-Q500 HydrophobicContact CD2-CB 4.41Å
497P64.5Low57.4Low74 Ų74121 Ų12148%0.48167%0.667SS.*  trans-54.9145.5171.8-25.634.8000111A499 Q500 A501P497-A499 VanDerWaalsContact C-N 3.27Å; P497-A499 PolarHBondContact O-N 3.3Å; P497-A499 VanDerWaalsContact O-N 3.08Å; P497-Q500 PolarHBondContact O-N 3.36Å; P497-A501 PolarHBondContact O-N 3.03Å
498P60.5Low60Low90 Ų90118.3 Ų118.358%0.58465%0.65SS**Hα-helixtrans-49.5-42.8-172.9-31.536.1000114.5Q500 A501 E502P498-Q500 VanDerWaalsContact C-N 3.29Å; P498-Q500 PolarHBondContact O-N 2.84Å; P498-A501 WeakPolarHBondContact O-CB 3.39Å; P498-A501 PolarHBondContact O-N 3.03Å; P498-A501 VanDerWaalsContact O-N 3.08Å; P498-E502 WeakPolarHBondContact O-CG 3.27Å; P498-E502 PolarHBondContact O-N 2.65Å
499A62.7Low62.6Low59 Ų59114.7 Ų114.749%0.48862%0.62SS.*Hα-helixtrans-60-31177.600000114.4P497 M503P497-A499 VanDerWaalsContact C-N 3.27Å; P497-A499 PolarHBondContact O-N 3.3Å; P497-A499 VanDerWaalsContact O-N 3.08Å; A499-M503 WeakPolarHBondContact O-CE 3.23Å; A499-M503 WeakPolarHBondContact O-CG 3.2Å; A499-M503 PolarHBondContact O-N 3.12Å
500Q61Low65.2Low100 Ų100111.4 Ų111.447%0.46761%0.608SS.*Hα-helixtrans-77.9-35174.2-86-177.2-28.500112.3L496 P497 P498 E502 M503 F504L496-Q500 HydrophobicContact CB-CB 4.38Å; L496-Q500 HydrophobicContact CD2-CB 4.41Å; P497-Q500 PolarHBondContact O-N 3.36Å; P498-Q500 VanDerWaalsContact C-N 3.29Å; P498-Q500 PolarHBondContact O-N 2.84Å; Q500-E502 VanDerWaalsContact C-N 3.34Å; Q500-M503 HydrophobicContact CG-CE 3.93Å; Q500-F504 WeakPolarHBondContact O-CB 3.41Å; Q500-F504 PolarHBondContact O-N 3.33Å
501A72.2Confident67.9Low50 Ų50109.6 Ų109.641%0.41359%0.593SS.*Hα-helixtrans-64.8-40.4171.700000111.3P497 P498 F504 A505P497-A501 PolarHBondContact O-N 3.03Å; P498-A501 WeakPolarHBondContact O-CB 3.39Å; P498-A501 PolarHBondContact O-N 3.03Å; P498-A501 VanDerWaalsContact O-N 3.08Å; A501-F504 PolarHBondContact O-N 2.95Å; A501-A505 WeakPolarHBondContact O-CB 3.37Å; A501-A505 PolarHBondContact O-N 2.96Å
502E75.7Confident70Confident122 Ų122109.8 Ų109.857%0.5758%0.576SS**Hα-helixtrans-63.7-45.9174.7-73.9170.9-157.200112.3P498 Q500 F504 A505 W506P498-E502 WeakPolarHBondContact O-CG 3.27Å; P498-E502 PolarHBondContact O-N 2.65Å; Q500-E502 VanDerWaalsContact C-N 3.34Å; E502-F504 VanDerWaalsContact C-N 3.33Å; E502-F504 PolarHBondContact O-N 3.22Å; E502-A505 PolarHBondContact O-N 2.96Å; E502-W506 WeakPolarHBondContact O-CB 3.27Å; E502-W506 PolarHBondContact O-N 2.98Å
503M69.3Low72.2Confident120 Ų120111.1 Ų111.159%0.59156%0.562SS**Hα-helixtrans-60.6-40.6174.7-78.1-172.5-7100112.3A499 Q500 W506 Q507A499-M503 WeakPolarHBondContact O-CE 3.23Å; A499-M503 WeakPolarHBondContact O-CG 3.2Å; A499-M503 PolarHBondContact O-N 3.12Å; Q500-M503 HydrophobicContact CG-CE 3.93Å; M503-W506 PolarHBondContact O-N 2.91Å; M503-Q507 WeakPolarHBondContact O-CB 3.37Å; M503-Q507 PolarHBondContact O-N 3.42Å
504F77.4Confident74.2Confident117 Ų117105.5 Ų105.551%0.51354%0.544SS..Hα-helixtrans-69.1-38.2177.5-167.3-104.9000112.3Q500 A501 E502 Q507 Q508Q500-F504 WeakPolarHBondContact O-CB 3.41Å; Q500-F504 PolarHBondContact O-N 3.33Å; A501-F504 PolarHBondContact O-N 2.95Å; E502-F504 VanDerWaalsContact C-N 3.33Å; E502-F504 PolarHBondContact O-N 3.22Å; F504-Q507 PolarHBondContact O-N 3.42Å; F504-Q508 HydrophobicContact CD1-CG 4.46Å; F504-Q508 HydrophobicContact CE1-CG 4.22Å; F504-Q508 VanDerWaalsContact CE1-NE2 3.27Å; F504-Q508 WeakPolarHBondContact O-CG 3.32Å; F504-Q508 PolarHBondContact O-N 2.9Å
505A84.9Confident76.2Confident55 Ų55105.3 Ų105.346%0.45553%0.527SS..Hα-helixtrans-63.6-41.8172.600000112A501 E502 Q508 E509A501-A505 WeakPolarHBondContact O-CB 3.37Å; A501-A505 PolarHBondContact O-N 2.96Å; E502-A505 PolarHBondContact O-N 2.96Å; A505-Q508 PolarHBondContact O-N 2.78Å; A505-E509 PolarHBondContact O-N 3.39Å
506W83.9Confident77.9Confident183 Ų18399.4 Ų99.469%0.69350%0.504SS*.Hα-helixtrans-61.2-42.3172-94.1105.1000112.4E502 M503 E509 L510E502-W506 WeakPolarHBondContact O-CB 3.27Å; E502-W506 PolarHBondContact O-N 2.98Å; M503-W506 PolarHBondContact O-N 2.91Å; W506-E509 PolarHBondContact O-N 3.13Å; W506-L510 VanDerWaalsContact O-CB 3.28Å; W506-L510 WeakPolarHBondContact O-CB 3.38Å; W506-L510 PolarHBondContact O-N 3.16Å
507Q87.7Confident78.7Confident129 Ų12997.2 Ų97.260%0.60350%0.5SS*.Hα-helixtrans-63.5-40.6176.1-174.5177.4-1100111.8M503 F504 L511M503-Q507 WeakPolarHBondContact O-CB 3.37Å; M503-Q507 PolarHBondContact O-N 3.42Å; F504-Q507 PolarHBondContact O-N 3.42Å; Q507-L511 WeakPolarHBondContact O-CB 3.22Å; Q507-L511 PolarHBondContact O-N 3.17Å
508Q87.8Confident78.9Confident118 Ų118101.8 Ų101.855%0.55151%0.508SS*.Hα-helixtrans-66.8-42.5174.3-73-165.1-13.200112.6F504 A505 L511 R512F504-Q508 HydrophobicContact CD1-CG 4.46Å; F504-Q508 HydrophobicContact CE1-CG 4.22Å; F504-Q508 VanDerWaalsContact CE1-NE2 3.27Å; F504-Q508 WeakPolarHBondContact O-CG 3.32Å; F504-Q508 PolarHBondContact O-N 2.9Å; A505-Q508 PolarHBondContact O-N 2.78Å; Q508-L511 PolarHBondContact O-N 3.02Å; Q508-R512 WeakPolarHBondContact O-CB 3.48Å; Q508-R512 PolarHBondContact O-N 2.98Å
509E88.4Confident79.3Confident56 Ų56103.6 Ų103.626%0.26251%0.512SS..Hα-helixtrans-68.3-35177177.358.2-167.800112.2A505 W506 R512 K513A505-E509 PolarHBondContact O-N 3.39Å; W506-E509 PolarHBondContact O-N 3.13Å; E509-R512 VanDerWaalsContact CD-NH2 3.32Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE1-CZ 3.04Å; E509-R512 IonicContact OE1-NE 2.67Å; E509-R512 IonicContact OE1-NH2 2.72Å; E509-R512 PolarHBondContact OE1-NH2 3.02Å; E509-R512 IonicContact OE2-CZ 3.65Å; E509-R512 VanDerWaalsContact OE2-CZ 3.3Å; E509-R512 IonicContact OE2-NE 3.74Å; E509-R512 PolarHBondContact OE2-NE 2.85Å; E509-R512 IonicContact OE2-NH2 3.8Å; E509-R512 PolarHBondContact OE2-NH2 2.86Å; E509-K513 HydrophobicContact CG-CD 4.25Å; E509-K513 WeakPolarHBondContact O-CB 3.19Å; E509-K513 WeakPolarHBondContact O-CG 3.5Å; E509-K513 PolarHBondContact O-N 2.79Å; E509-K513 WeakPolarHBondContact OE1-CE 3.45Å; E509-K513 IonicContact OE1-NZ 3.42Å; E509-K513 PolarHBondContact OE1-NZ 3.31Å
510L92.1Very high79.5Confident118 Ų118105.7 Ų105.762%0.61851%0.511SS*.Hα-helixtrans-65.4-43.9172.9-176.263.6000111.3W506 R512 K513 Q514W506-L510 VanDerWaalsContact O-CB 3.28Å; W506-L510 WeakPolarHBondContact O-CB 3.38Å; W506-L510 PolarHBondContact O-N 3.16Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 2.71Å; L510-K513 PolarHBondContact O-N 2.69Å; L510-Q514 WeakPolarHBondContact O-CB 3.33Å; L510-Q514 PolarHBondContact O-N 3.32Å
511L89.9Confident79.6Confident99 Ų99107 Ų10752%0.51852%0.521SS..Hα-helixtrans-64.7-36.7174.5-174.463.1000111.7Q507 Q508 Q514 N515Q507-L511 WeakPolarHBondContact O-CB 3.22Å; Q507-L511 PolarHBondContact O-N 3.17Å; Q508-L511 PolarHBondContact O-N 3.02Å; L511-Q514 PolarHBondContact O-N 3Å; L511-N515 PolarHBondContact O-N 3.31Å; L511-N515 PolarHBondContact O-ND2 3.15Å
512R89.5Confident79.3Confident138 Ų138107.6 Ų107.652%0.52152%0.521SS..Hα-helixtrans-65.1-43.5174.3-162.7-175.269.2797.3111.4Q508 E509 L510 N515 L516Q508-R512 WeakPolarHBondContact O-CB 3.48Å; Q508-R512 PolarHBondContact O-N 2.98Å; E509-R512 VanDerWaalsContact CD-NH2 3.32Å; E509-R512 PolarHBondContact O-N 2.89Å; E509-R512 IonicContact OE1-CZ 3.04Å; E509-R512 IonicContact OE1-NE 2.67Å; E509-R512 IonicContact OE1-NH2 2.72Å; E509-R512 PolarHBondContact OE1-NH2 3.02Å; E509-R512 IonicContact OE2-CZ 3.65Å; E509-R512 VanDerWaalsContact OE2-CZ 3.3Å; E509-R512 IonicContact OE2-NE 3.74Å; E509-R512 PolarHBondContact OE2-NE 2.85Å; E509-R512 IonicContact OE2-NH2 3.8Å; E509-R512 PolarHBondContact OE2-NH2 2.86Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 2.71Å; R512-N515 PolarHBondContact O-N 2.77Å; R512-L516 PolarHBondContact O-N 3.44Å
513K88Confident78.6Confident100 Ų100104.1 Ų104.144%0.43551%0.513SS..Hα-helixtrans-63.9-43174.5-78166.6171.4153.30112.7E509 L510 N515 L516 A517E509-K513 HydrophobicContact CG-CD 4.25Å; E509-K513 WeakPolarHBondContact O-CB 3.19Å; E509-K513 WeakPolarHBondContact O-CG 3.5Å; E509-K513 PolarHBondContact O-N 2.79Å; E509-K513 WeakPolarHBondContact OE1-CE 3.45Å; E509-K513 IonicContact OE1-NZ 3.42Å; E509-K513 PolarHBondContact OE1-NZ 3.31Å; L510-K513 PolarHBondContact O-N 2.69Å; K513-N515 VanDerWaalsContact C-N 3.33Å; K513-N515 PolarHBondContact O-N 3.35Å; K513-L516 WeakPolarHBondContact O-CB 3.43Å; K513-L516 PolarHBondContact O-N 3.41Å; K513-A517 PolarHBondContact O-N 2.91Å
514Q84.3Confident78.3Confident118 Ų118103 Ų10355%0.55151%0.51SS*.Hα-helixtrans-61.4-42.2175.9-172.1-172.98600111.5L510 L511 R518L510-Q514 WeakPolarHBondContact O-CB 3.33Å; L510-Q514 PolarHBondContact O-N 3.32Å; L511-Q514 PolarHBondContact O-N 3Å; Q514-R518 WeakPolarHBondContact O-CG 3.42Å; Q514-R518 PolarHBondContact O-N 3.28Å; Q514-R518 VanDerWaalsContact O-N 3.14Å
515N81.5Confident77.6Confident64 Ų64102.8 Ų102.834%0.34251%0.513SS..Hα-helixtrans-70.3-31.1175.8-75.1-65.5000112.9L511 R512 K513 L519L511-N515 PolarHBondContact O-N 3.31Å; L511-N515 PolarHBondContact O-ND2 3.15Å; R512-N515 PolarHBondContact O-N 2.77Å; K513-N515 VanDerWaalsContact C-N 3.33Å; K513-N515 PolarHBondContact O-N 3.35Å; N515-L519 WeakPolarHBondContact O-CG 3.48Å; N515-L519 PolarHBondContact O-N 3.27Å
516L80.3Confident76.5Confident80 Ų80105.8 Ų105.842%0.41952%0.521SS..Hα-helixtrans-63.9-50.5171.9-163.880.3000111.4R512 K513 R518 L519 E520R512-L516 PolarHBondContact O-N 3.44Å; K513-L516 WeakPolarHBondContact O-CB 3.43Å; K513-L516 PolarHBondContact O-N 3.41Å; L516-R518 PolarHBondContact O-N 3.48Å; L516-L519 CarbonylContact O-C 3.57Å; L516-L519 WeakPolarHBondContact O-CA 3.47Å; L516-L519 WeakPolarHBondContact O-CB 3.24Å; L516-L519 PolarHBondContact O-N 3.13Å; L516-E520 PolarHBondContact O-N 3.25Å
517A70.5Confident75.6Confident52 Ų52105.7 Ų105.743%0.4352%0.52SS..Hα-helixtrans-60.1-33.7178.600000112.7K513 L519 E520 L521K513-A517 PolarHBondContact O-N 2.91Å; A517-L519 PolarHBondContact O-N 3.26Å; A517-E520 PolarHBondContact O-N 2.56Å; A517-L521 PolarHBondContact O-N 3.29Å; A517-L521 VanDerWaalsContact O-N 3.16Å
518R69.6Low74.5Confident170 Ų170104.9 Ų104.964%0.64252%0.517SS*.Hα-helixtrans-68.9-15.4172.5-72.8-179.371.8-141.71.7114.4Q514 L516 P522Q514-R518 WeakPolarHBondContact O-CG 3.42Å; Q514-R518 PolarHBondContact O-N 3.28Å; Q514-R518 VanDerWaalsContact O-N 3.14Å; L516-R518 PolarHBondContact O-N 3.48Å; R518-P522 VanDerWaalsContact O-CD 3.24Å; R518-P522 WeakPolarHBondContact O-CD 3.5Å; R518-P522 WeakPolarHBondContact O-CG 3.41Å
519L69.3Low73.7Confident128 Ų128106.4 Ų106.467%0.6752%0.521SS*.Hα-helixtrans-101-20.7174.7-66.4170.4000112.8N515 L516 A517N515-L519 WeakPolarHBondContact O-CG 3.48Å; N515-L519 PolarHBondContact O-N 3.27Å; L516-L519 CarbonylContact O-C 3.57Å; L516-L519 WeakPolarHBondContact O-CA 3.47Å; L516-L519 WeakPolarHBondContact O-CB 3.24Å; L516-L519 PolarHBondContact O-N 3.13Å; A517-L519 PolarHBondContact O-N 3.26Å
520E67.4Low72.5Confident102 Ų102110.3 Ų110.348%0.47754%0.539SS..Hα-helixtrans-77.2-44.3173.8-70167.2156.900111.3L516 A517 A523 D524L516-E520 PolarHBondContact O-N 3.25Å; A517-E520 PolarHBondContact O-N 2.56Å; E520-A523 WeakPolarHBondContact O-CB 3.03Å; E520-A523 PolarHBondContact O-N 3.39Å; E520-D524 PolarHBondContact O-N 2.65Å
521L62.3Low70.8Confident128 Ų128111.1 Ų111.167%0.6754%0.544SS*.Hα-helixtrans-54.5-41.8179.9-150.882.3000114.4A517 L525A517-L521 PolarHBondContact O-N 3.29Å; A517-L521 VanDerWaalsContact O-N 3.16Å; L521-L525 PolarHBondContact O-N 2.98Å
522P65.4Low69.1Low63 Ų63112.7 Ų112.741%0.40955%0.548SS..Hα-helixtrans-70.3-29.3174.1-19.534.2000113.9R518 L526R518-P522 VanDerWaalsContact O-CD 3.24Å; R518-P522 WeakPolarHBondContact O-CD 3.5Å; R518-P522 WeakPolarHBondContact O-CG 3.41Å; P522-L526 WeakPolarHBondContact O-CG 3.43Å; P522-L526 PolarHBondContact O-N 3.12Å
523A62.1Low67.1Low49 Ų49110.9 Ų110.941%0.40556%0.557SS.*Hα-helixtrans-72.8-40.6-179.600000111.5E520 L526 R527E520-A523 WeakPolarHBondContact O-CB 3.03Å; E520-A523 PolarHBondContact O-N 3.39Å; A523-L526 PolarHBondContact O-N 2.76Å; A523-R527 PolarHBondContact O-N 3.22Å
524D62Low65.2Low97 Ų97109.9 Ų109.952%0.51957%0.568SS.*Hα-helixtrans-69.3-37.3173.1-76.1-36.4000111.9E520 L526 R527 Q528E520-D524 PolarHBondContact O-N 2.65Å; D524-L526 VanDerWaalsContact C-N 3.32Å; D524-L526 PolarHBondContact O-N 2.79Å; D524-R527 PolarHBondContact O-N 3.45Å; D524-Q528 VanDerWaalsContact O-CB 3.28Å; D524-Q528 WeakPolarHBondContact O-CB 3.24Å; D524-Q528 PolarHBondContact O-N 3.46Å
525L62.3Low63Low112 Ų112114 Ų11459%0.58658%0.578SS**Hα-helixtrans-60.3-38.2170.9-88.3166.7000112.9L521 K529L521-L525 PolarHBondContact O-N 2.98Å; L525-K529 VanDerWaalsContact O-CB 3.3Å; L525-K529 WeakPolarHBondContact O-CB 3.43Å; L525-K529 PolarHBondContact O-N 3.28Å
526L63.3Low61.2Low118 Ų118117 Ų11762%0.61860%0.601SS**Hα-helixtrans-66.5-47.2174-76.9166.4000111.5P522 A523 D524 Q528 K529 E530P522-L526 WeakPolarHBondContact O-CG 3.43Å; P522-L526 PolarHBondContact O-N 3.12Å; A523-L526 PolarHBondContact O-N 2.76Å; D524-L526 VanDerWaalsContact C-N 3.32Å; D524-L526 PolarHBondContact O-N 2.79Å; L526-Q528 VanDerWaalsContact C-N 3.33Å; L526-Q528 PolarHBondContact O-N 3.22Å; L526-K529 PolarHBondContact O-N 3.26Å; L526-E530 PolarHBondContact O-N 2.9Å
527R64.9Low59.5Low181 Ų181122 Ų12268%0.68362%0.622SS**Hα-helixtrans-61.9-38.1175.9-76.6-165.567-150.5-5.5113.2A523 D524 L531A523-R527 PolarHBondContact O-N 3.22Å; D524-R527 PolarHBondContact O-N 3.45Å; R527-L531 WeakPolarHBondContact O-CB 3.46Å; R527-L531 PolarHBondContact O-N 3.23Å
528Q63.7Low57.6Low112 Ų112127.9 Ų127.952%0.52365%0.645SS.*Hα-helixtrans-69-39.7177.9-174.3167.2-25.500110.9D524 L526 L531 E532D524-Q528 VanDerWaalsContact O-CB 3.28Å; D524-Q528 WeakPolarHBondContact O-CB 3.24Å; D524-Q528 PolarHBondContact O-N 3.46Å; L526-Q528 VanDerWaalsContact C-N 3.33Å; L526-Q528 PolarHBondContact O-N 3.22Å; Q528-L531 WeakPolarHBondContact O-CB 3.33Å; Q528-L531 PolarHBondContact O-N 2.89Å; Q528-E532 PolarHBondContact O-N 3.05Å
529K70.3Confident55.8Low150 Ų150127.6 Ų127.665%0.65266%0.656SS**Hα-helixtrans-65.4-38.3174.6-173.1171.6-178.5175.40112.9L525 L526 L531 S533L525-K529 VanDerWaalsContact O-CB 3.3Å; L525-K529 WeakPolarHBondContact O-CB 3.43Å; L525-K529 PolarHBondContact O-N 3.28Å; L526-K529 PolarHBondContact O-N 3.26Å; K529-L531 VanDerWaalsContact C-N 3.34Å; K529-S533 WeakPolarHBondContact O-CB 3.18Å; K529-S533 PolarHBondContact O-N 2.83Å; K529-S533 PolarHBondContact O-OG 3.11Å
530E63.9Low53.9Low137 Ų137125.7 Ų125.764%0.6466%0.658SS**Hα-helixtrans-61-43.6170.2-73.6-175.4148.200111.1L526 S533 A534L526-E530 PolarHBondContact O-N 2.9Å; E530-S533 PolarHBondContact O-N 2.85Å; E530-S533 PolarHBondContact O-OG 2.85Å; E530-A534 PolarHBondContact O-N 2.84Å
531L55.8Low52.7Low136 Ų136126.9 Ų126.971%0.71268%0.675SS**Hα-helixtrans-66.4-37.1179.4-16073.8000113.3R527 Q528 K529R527-L531 WeakPolarHBondContact O-CB 3.46Å; R527-L531 PolarHBondContact O-N 3.23Å; Q528-L531 WeakPolarHBondContact O-CB 3.33Å; Q528-L531 PolarHBondContact O-N 2.89Å; K529-L531 VanDerWaalsContact C-N 3.34Å
532E54Low51.5Low131 Ų131129.6 Ų129.661%0.61268%0.684SS**Hα-helixtrans-71.6-37.9174.1-72.8-177143.400112.1Q528 A534 R535Q528-E532 PolarHBondContact O-N 3.05Å; E532-A534 PolarHBondContact O-N 3.05Å; E532-R535 PolarHBondContact O-N 2.82Å
533S49Very low49.7Very low101 Ų101133.4 Ų133.471%0.70671%0.706SS**Hα-helixtrans-65.5-20.917774.40000113.9K529 E530K529-S533 WeakPolarHBondContact O-CB 3.18Å; K529-S533 PolarHBondContact O-N 2.83Å; K529-S533 PolarHBondContact O-OG 3.11Å; E530-S533 PolarHBondContact O-N 2.85Å; E530-S533 PolarHBondContact O-OG 2.85Å
534A47.2Very low48Very low79 Ų79135 Ų13565%0.65372%0.72SS**THydrogen-bonded Turntrans-89.48.9-178.300000114.3E530 E532E530-A534 PolarHBondContact O-N 2.84Å; E532-A534 PolarHBondContact O-N 3.05Å
535R39Very low46.4Very low205 Ų205138.5 Ų138.577%0.77474%0.738SS**  trans-113.7107.8-169.1-159.4173.4-171177.61.8112.6E532E532-R535 PolarHBondContact O-N 2.82Å
536P43.7Very low44.6Very low125 Ų125144.3 Ų144.381%0.81275%0.752SS**  trans-61.2137.8174.9-2334.1000112.2
537Q43.9Very low43.8Very low187 Ų187144.1 Ų144.187%0.87476%0.758SS**  trans-84.1132.6172.5-62.8175.8-2.100110.2
538L31Very low41.9Very low175 Ų175141.9 Ų141.992%0.91676%0.759SS**  trans-172.8142.2145.9-106.8167.3000109.7
539L30.8Very low40.2Very low164 Ų164143.5 Ų143.586%0.85977%0.771SS**  trans-146.9102.6177.4-116.1175.9000110.6
540A30.5Very low38Very low88 Ų88139.8 Ų139.873%0.72778%0.776SS**  trans60.8170.1154.800000118.4
541P41.3Very low36.3Very low127 Ų127138.5 Ų138.583%0.82579%0.789SS**  cis-114.2179.6-6.839.4-26.3000114.3
542E37.2Very low35.1Very low184 Ų184140.8 Ų140.886%0.8680%0.796SS**  trans-92.5163.7-170-52.5-171.3143.700115.3
543T27.5Very low34Very low143 Ų143141.7 Ų141.788%0.87780%0.8SS**  trans-148.394.1154-1.60000114.4
544A26.6Very low33.2Very low84 Ų84142.7 Ų142.769%0.69480%0.797SS**  trans69155.1134.100000123.9
545L27.8Very low32.3Very low169 Ų169144 Ų14489%0.88579%0.79SS**  trans86.2153.5162.1-55.1-176.1000120.2
546R25.7Very low32.1Very low235 Ų235145.4 Ų145.489%0.88780%0.795SS**  trans-140-173.9-176.7-36.3-151.981.1-1797.5107.9
547P45.7Very low31.8Very low114 Ų114149.4 Ų149.474%0.7479%0.794SS**  cis-126.8-167.6-47.129-9000111.5
548N25.8Very low31.2Very low133 Ų133144 Ų14471%0.71179%0.788SS**  trans110.2148.7136.4-143.856.4000119.6
549D27.3Very low31.4Very low146 Ų146140.2 Ų140.278%0.78178%0.782SS**  trans6.1145.4170.3-70.9-49.3000122.6
550G24.8Very low31.4Very low72 Ų72139.4 Ų139.474%0.74278%0.778SS**  trans146.4102.7136.700000119.5
551A28.5Very low31.5Very low111 Ų111142.4 Ų142.492%0.91778%0.781SS**  trans62173.8137.800000121.7
552E30.7Very low31Very low184 Ų184141.5 Ų141.586%0.8677%0.773SS**  trans-105.2174.7-171.2-58.2169.896.400113.2
553E29.9Very low30.7Very low149 Ų149139.4 Ų139.470%0.69677%0.766SS**  trans73.790.6142.4-149.658.6-166.500121.5
554L31.7Very low30.7Very low123 Ų123138.1 Ų138.164%0.64475%0.754SS**  64.2131.2124.2-115.481.3000123.4
555Q28.8Very low31.3Very low107 Ų107143 Ų14350%0.576%0.762SS.*  76.6104126.9-160.589.7-110.600121.4
556R34.7Very low31.3Very low234 Ų234138.5 Ų138.588%0.88376%0.757SS**  -173.9129.5116.3-93.2148.1-159.6-102.25.6108.7
557R37.3Very low31.6Very low209 Ų209132.4 Ų132.479%0.78976%0.757SS**  cis88.9115.544.1-75.6-173.1179.1-157.6-0.8114
558G31.7Very low30.9Very low73 Ų73131.3 Ų131.375%0.75376%0.757SS**  trans154.985.2173.300000109.3
559A34.8Very low32.1Very low96 Ų96130.1 Ų130.179%0.79376%0.757SS**  77.213380.900000112.2
560L31.2Very low32.2Very low146 Ų146130.5 Ų130.576%0.76476%0.758SS**  cis-159.6164.63.1-154.1121.7000110.9V562L560-V562 HydrophobicContact CD2-CG2 4.12Å
561L31.9Very low32.3Very low152 Ų152135.4 Ų135.480%0.79677%0.767SS**  trans154.7115.8150.9-83.1169.4000108.2
562V32.3Very low32.1Very low108 Ų108134.7 Ų134.766%0.65576%0.761SS**  76.8113.471.4165.40000109.7L560L560-V562 HydrophobicContact CD2-CG2 4.12Å
563L29.5Very low32Very low139 Ų139133.9 Ų133.973%0.72876%0.761SS**  cis-152.2166.236-101.8146.8000115.4
564N29Very low32.9Very low117 Ų117132.4 Ų132.463%0.62676%0.764SS**  trans55.3114.4155.1-64.3-15.7000120.2
565H38.1Very low33.5Very low185 Ų185131.7 Ų131.786%0.85677%0.767SS**  74.8127.368.4-62.3-29.6000113.9
566G28.8Very low33.6Very low76 Ų76135.7 Ų135.778%0.78479%0.786SS**  cis178.8-167.60.400000109.6
567A30.3Very low33.3Very low106 Ų106127.6 Ų127.688%0.87678%0.776SS**  cis-167.2165.3-18.200000109.5
568A30.8Very low33.7Very low91 Ų91123.6 Ų123.675%0.75278%0.777SS**  trans-114.5-165162.900000107.9
569P51.1Low34.4Very low108 Ų108126.4 Ų126.470%0.70178%0.781SS**  cis-142.7-168.7-2.143.6-22.8000115.9
570L29.6Very low34Very low154 Ų154125.4 Ų125.481%0.80678%0.781SS**  trans29.2134.6146.2-64.6165000123.2
571L26.7Very low34.1Very low176 Ų176124.4 Ų124.492%0.92179%0.786SS**  174-164.5113.2-89.8177.1000113.8
572A24.6Very low33.9Very low96 Ų96120.7 Ų120.779%0.79379%0.785SS**  trans-111.6-179.7-150.200000118.6
573L28.7Very low34.8Very low167 Ų167121.4 Ų121.487%0.87479%0.791SS**  trans-70179.7178.4-56.6168.2000113.8
574P48.7Very low35.6Very low117 Ų117120 Ų12076%0.7679%0.791SS**  cis-130.8-144.8-0.945.9-27.8000111.1
575P45.9Very low35.8Very low108 Ų108120.7 Ų120.770%0.70180%0.799SS**  cis-125.2178.9-28.241.1-26.4000113.9
576Q31Very low35.9Very low192 Ų192118.2 Ų118.290%0.89780%0.799SS**  trans165.6169.7137.9-89.3-61.7-2.600112.7
577G28Very low35.8Very low64 Ų64119.8 Ų119.866%0.6680%0.799SS**  trans-99.9-169.4-164.200000120.3
578P46.2Very low35.8Very low125 Ų125125 Ų12581%0.81280%0.796SS**  trans-96.2170.6-166.942.1-39.5000114.2
579P45.3Very low35.7Very low131 Ų131125.7 Ų125.785%0.85179%0.787SS**  -116.9174.667.10.124.1000113.3
580G27.3Very low34.8Very low76 Ų76124.7 Ų124.778%0.78478%0.782SS**  91.6136.852.900000110.6
581S31.8Very low34.9Very low124 Ų124120.6 Ų120.687%0.86777%0.77SS**  cis-1671563.855.10000112.4
582G29.4Very low35.3Very low75 Ų75122 Ų12277%0.77376%0.764SS**  trans77.8127.4150.600000121.1
583P50.3Low35.4Very low123 Ų123128.1 Ų128.180%0.79977%0.766SS**  trans-96171167.740.7-35.7000112.2
584P45.7Very low35.5Very low110 Ų110124.3 Ų124.371%0.71476%0.759SS**  -155.5157.695.740.9-22.8000118.4
585T33.7Very low35.5Very low131 Ų131124.4 Ų124.480%0.80476%0.759SS**  trans53.5142.514554.10000123.7
586P40.8Very low34.9Very low132 Ų132131.1 Ų131.186%0.85777%0.771SS**  trans-96.4151.2167.737.6-33.2000114.8
587S25.4Very low35Very low110 Ų110131.9 Ų131.977%0.76977%0.771SS**  trans-126126.1163.653.90000108.6
588R30.7Very low34.8Very low215 Ų215132.2 Ų132.281%0.81178%0.775SS**  77.9148.960.9-159-172.6-172.8-117.311.1113.2
589D28.7Very low33.9Very low106 Ų106129.7 Ų129.757%0.56777%0.772SS**  trans99.4140.2157.6-83.7-62.2000117.6
590S32.1Very low33.8Very low86 Ų86129.8 Ų129.860%0.60177%0.772SS**  cis-160.2167.60.3-1480000116.3
591A32.2Very low33.8Very low68 Ų68129.2 Ų129.256%0.56277%0.766SS**  trans71.5153.7140.300000119.9
592R34Very low34.4Very low206 Ų206129.8 Ų129.878%0.77777%0.767SS**  cis-158.6175.4-10.9-113.5173.7-79.4-115.9-4.4106.5
593R28.7Very low34.2Very low224 Ų224131.2 Ų131.285%0.84577%0.772SS**  cis-160.6166.921.1-148.4178.6-72.6-136.32.7110.4
594A29.8Very low33.1Very low87 Ų87131.3 Ų131.372%0.71978%0.775SS**  trans-145165.8164.200000109.7
595P49.3Very low32.1Very low119 Ų119130.6 Ų130.677%0.77378%0.779SS**  -155.6148.6115.237.5-19.2000118.5
596R33.7Very low32Very low249 Ų249135.7 Ų135.794%0.9478%0.783SS**  trans36.1147.4134.6-54.1-176.3174.4-137.6-6120.4
597K31.7Very low31.9Very low208 Ų208135.6 Ų135.690%0.90478%0.782SS**  cis-160.6161.636.1167.4-173174.2-170.80107.8
598G24.6Very low32Very low72 Ų72135.3 Ų135.374%0.74278%0.78SS**  cis176.5-149.64.100000111.1
599G27.4Very low31.9Very low72 Ų72133.7 Ų133.774%0.74278%0.782SS**  trans-121.5-168.8174.500000113.2
600P42.1Very low31.8Very low132 Ų132133.7 Ų133.786%0.85779%0.79SS**  cis-139.3-173.635.842.4-24.1000117
601G27.3Very low31.4Very low65 Ų65138.6 Ų138.667%0.6780%0.801SS**  trans-87.2-156.4158.400000112.1
602P45.9Very low31.1Very low135 Ų135143.1 Ų143.188%0.87781%0.81SS**  cis-140.2-17520.644.4-27000116
603A23.3Very low30.6Very low106 Ų106140.9 Ų140.988%0.87681%0.811SS**  trans-172.4165.114500000111.6
604S27.8Very low30.3Very low125 Ų125136.7 Ų136.787%0.87481%0.81SS**  trans-147143.2-178.5177.50000112.4
605A24.7Very low30Very low95 Ų95136 Ų13679%0.78581%0.811SS**  trans-169.1146.7155.600000113.9
606R32.2Very low28.8Very low238 Ų238135.7 Ų135.790%0.89882%0.819SS**  trans-145.2148.3151.8-92.9-167.2172.1-159.1-2.3107.2
607P38.7Very low28.3Very low129 Ų129134.3 Ų134.384%0.83881%0.814SS**  -138.1-141.1106.936.9-21.5000113.3
608S27.6Very low27.9Very low104 Ų104130.2 Ų130.273%0.72780%0.801SS**  trans-144.8-160.8-151.1530000114.6
609E27.3Very low28.1Very low182 Ų182137.5 Ų137.585%0.8581%0.806SS**  trans87.6149.2171-54.3-168.412000117.2
610S27.6Very low28Very low105 Ų105138 Ų13873%0.73480%0.803SS**  cis-167.8178.9-22.258.90000112.5
611K24.6Very low27.3Very low189 Ų189140 Ų14082%0.82280%0.801SS**  trans89.488.4145.2-157.5173.3-175.4176.10124.1
612E24.2Very low27.3Very low164 Ų164144 Ų14477%0.76681%0.807SS**  35.3120.6108.9-159.6167.3158.200125.2
613M25.2Very low26.6Very low159 Ų159140.2 Ų140.278%0.78379%0.792SS**  trans56.7139134.7-153.4101.976.500125
614T22.1Very low26.7Very low135 Ų135140 Ų14083%0.82879%0.785SS**  trans121.7135.7131.1-39.30000118.5
615G23.8Very low27.1Very low73 Ų73142.4 Ų142.475%0.75378%0.782SS**  trans96.1154.5158.100000116.4
616A23.6Very low27.3Very low112 Ų112145 Ų14593%0.92678%0.783SS**  cis-154.4-167.8-9.400000110.8
617R23.4Very low27.3Very low220 Ų220141.4 Ų141.483%0.8378%0.776SS**  trans-123.6162.9-166.2-171.1-165.4177-175.9-0.6111.9
618L23.6Very low28.1Very low122 Ų122140 Ų14064%0.63977%0.767SS**  trans82.1154.2167.7-42.2163.7000114.6
619W27Very low29.2Very low226 Ų226140 Ų14086%0.85676%0.764SS**  cis-149.7160.66.9-96.8112.6000111.5
620A26Very low29.5Very low82 Ų82139.7 Ų139.768%0.67876%0.76SS**  trans53.2148.4152.300000120.7
621Q27.7Very low29.6Very low175 Ų175140.1 Ų140.182%0.81875%0.754SS**  cis72.4138.832.7-63.9-158.3-10.800115.3
622D27.8Very low30.2Very low148 Ų148135.6 Ų135.679%0.79175%0.746SS**  cis-153.4-164.4-9.1-124.562.6000108.9
623G29.6Very low30.5Very low55 Ų55135.2 Ų135.257%0.56775%0.75SS**  cis-177.4-132.312.100000111.7
624S25.4Very low30.8Very low102 Ų102131.1 Ų131.171%0.71375%0.748SS**  trans75.4110.7-173.9-162.80000114.2
625E36.4Very low31.2Very low176 Ų176134.3 Ų134.382%0.82275%0.753SS**  cis76.3130.349.7-56.2171149.200111.5
626D29.1Very low31.5Very low150 Ų150138.4 Ų138.480%0.80276%0.758SS**  cis-149.9162.426.3-154.1-126.6000115.9
627E32.4Very low33.1Very low162 Ų162137.8 Ų137.876%0.75774%0.744SS**  trans-42.2-174.1173.7-79.6-106.19900122.3
628P55.1Low33.6Very low98 Ų98135 Ų13564%0.63674%0.741SS**  cis-133.3-113.6-35.536.2-16.6000115.4
629P51.7Low34Very low104 Ų104135 Ų13568%0.67575%0.746SS**  -122.9163-7139-24.7000118.4
630K33.2Very low34.2Very low177 Ų177128.5 Ų128.577%0.7774%0.741SS**  trans59.1161.7142.1-81.6174.1149-84.90122.4
631D29.8Very low34.5Very low114 Ų114129.1 Ų129.161%0.6175%0.746SS**  cis-142.4154-0.6-98-41.6000108.4
632S37.3Very low34.6Very low93 Ų93127.4 Ų127.465%0.6575%0.747SS**  62.2131.570.7-90.70000116.8
633D29.5Very low34.6Very low157 Ų157123.7 Ų123.784%0.8474%0.743SS**  cis-139.5-149.5-3.9-65.1-49.9000110.4
634G31.8Very low34.5Very low72 Ų72126.8 Ų126.874%0.74276%0.755SS**  cis-179-1679.900000112.2
635E31.3Very low34.5Very low202 Ų202134.5 Ų134.594%0.94477%0.769SS**  trans-136.6141.1-168.9-62.1174.594.900118.6
636D29.9Very low33.9Very low159 Ų159129.7 Ų129.785%0.8577%0.766SS**  trans45.2-167.4149.7-132.823.4000121.1
637P56.7Low34.6Very low99 Ų99127.9 Ų127.964%0.64376%0.763SS**  cis-140-178.4-16.942.8-24.4000119
638E33.6Very low34.1Very low162 Ų162126.5 Ų126.576%0.75777%0.765SS**  trans65.6176.9158.2-92.3-77.373.800119.3
639T33.5Very low33.3Very low121 Ų121127.7 Ų127.774%0.74277%0.773SS**  cis-150.1174.812.311.30000109.3
640A30.6Very low32.1Very low91 Ų91126.2 Ų126.275%0.75278%0.777SS**  cis-159.5-117-8.600000112.7
641A31.5Very low31.8Very low94 Ų94127.7 Ų127.778%0.77779%0.786SS**  trans-145.7-173.7-173.600000111.8
642V29.8Very low31.6Very low140 Ų140126.3 Ų126.385%0.84879%0.791SS**  cis-157.5170.728.6174.60000107
643G28.5Very low32.1Very low69 Ų69127.7 Ų127.771%0.71180%0.797SS**  cis163.8-163.95.600000108.3
644C26.8Very low31.9Very low121 Ų121125 Ų12582%0.81880%0.797SS**  cis-172.1149.5-24.7-92.80000111.8
645R27Very low31.6Very low264 Ų264125.4 Ų125.4100%0.99680%0.801SS**  trans66.2138.9168-88.2-172.1177.2-120.81.9122
646G22.3Very low31.4Very low74 Ų74119.7 Ų119.776%0.76380%0.797SS**  trans140.3132.4156.200000116.6
647P44.1Very low31.4Very low113 Ų113117.2 Ų117.273%0.73480%0.798SS**  trans-129.6148.3-172.640.8-26.7000119
648T21.5Very low30.2Very low133 Ų133116 Ų11682%0.81680%0.804SS**  trans61.2164.8149.249.80000120.8
649P39.9Very low30.3Very low122 Ų122112.3 Ų112.379%0.79280%0.801SS**  cis-135.1169.9-36.137.1-21.5000114.6
650G24.6Very low30.3Very low73 Ų73115.3 Ų115.375%0.75381%0.807SS**  trans114.7156.1132.200000121.1
651Q28.5Very low30.2Very low208 Ų208114.4 Ų114.497%0.97281%0.806SS**  trans78.8144162.1-142.8150.669.200119.4
652A24.1Very low30.3Very low86 Ų86119.9 Ų119.971%0.71181%0.813SS**  trans-133.8-166.6-17500000107.2
653P47.8Very low30.2Very low121 Ų121116.3 Ų116.379%0.78680%0.804SS**  cis-138.1-162.3-0.244.1-25.1000114.2
654A25.8Very low30.1Very low101 Ų101120.2 Ų120.284%0.83581%0.808SS**  trans69.7152.8168.900000116.7
655G26.3Very low30.2Very low80 Ų80123.3 Ų123.383%0.82581%0.808SS**  cis135106-5.400000112.6
656G26.4Very low30.8Very low83 Ų83116.8 Ų116.886%0.85680%0.8SS**  trans164148.8179.700000111.1
657A30.3Very low31Very low106 Ų106116.8 Ų116.888%0.87680%0.799SS**  trans-115.6132.9-171.300000113.7
658G30.9Very low30.3Very low75 Ų75116.8 Ų116.877%0.77380%0.802SS**  93.6147.8123.600000120.2
659A36.1Very low30.6Very low83 Ų83117.1 Ų117.169%0.68680%0.804SS**  trans71.9146.2156.600000118.3
660E32.9Very low30.1Very low184 Ų184118.3 Ų118.386%0.8680%0.803SS**  cis-165.2166.8-11.3-117.1179.398.400110.5
661G30.1Very low30.6Very low72 Ų72120 Ų12074%0.74280%0.801SS**  trans-153.151.2-171.700000118.8
662K33.5Very low31.1Very low210 Ų210118 Ų11891%0.91380%0.796SS**  trans41.4123.7153.4-61.6-177177.3-177.70122.1
663G26.2Very low31.1Very low65 Ų65116.5 Ų116.567%0.6779%0.789SS**  trans82.7113.7149.500000116
664L26.6Very low30.1Very low150 Ų150120.4 Ų120.479%0.78579%0.794SS**  cis61.8132.134.1-37177.7000113.2
665F30.1Very low31Very low186 Ų186120.2 Ų120.282%0.81678%0.784SS**  cis177.8-169.5-11.9-105.1-32.7000105.2
666P39Very low31Very low128 Ų128126.3 Ų126.383%0.83178%0.783SS**  cis-132.91799.443.5-26.1000116.1
667G26.8Very low31.1Very low73 Ų73126.3 Ų126.375%0.75378%0.776SS**  trans170.747.7174.400000117
668S28.9Very low31Very low113 Ų113126.9 Ų126.979%0.7977%0.768SS**  trans-61.9141.3170.7-54.70000110.4
669T27Very low30.7Very low140 Ų140128.9 Ų128.986%0.85977%0.77SS**  -133.813475.746.30000116.6
670L30.5Very low31.1Very low147 Ų147129.3 Ų129.377%0.7777%0.766SS**  trans-34.7165.8150.7-68.7174.2000116
671P35.2Very low31Very low110 Ų110129.9 Ų129.971%0.71476%0.762SS**  cis-131.9156.220.533.4-13.6000118.4
672L38.7Very low30.8Very low165 Ų165135.3 Ų135.386%0.86477%0.765SS**  trans45.7118145.4-59168.9000117.6
673G24Very low30.9Very low54 Ų54133.3 Ų133.356%0.55776%0.759SS**  cis11791.624.100000108
674F27.2Very low31.1Very low203 Ų203137.6 Ų137.689%0.8977%0.772SS**  74154.383.2-84.9-124.2000112.6
675P43.6Very low30.9Very low98 Ų98134.2 Ų134.264%0.63677%0.774SS**  cis-142-177.8-3239.6-22.1000113.6
676Y27.5Very low31Very low207 Ų207129.9 Ų129.981%0.81277%0.772SS**  trans31149.6135.3-75.6-117.5000121.2V678Y676-V678 HydrophobicContact CD1-CG2 3.86Å; Y676-V678 HydrophobicContact CE1-CG2 4.03Å
677A28.9Very low30.7Very low84 Ų84131.2 Ų131.269%0.69478%0.777SS**  cis-142.6146.923.800000111.6
678V27.9Very low30.7Very low118 Ų118131.9 Ų131.972%0.71578%0.784SS**  46.710391.5-169.20000114.6Y676Y676-V678 HydrophobicContact CD1-CG2 3.86Å; Y676-V678 HydrophobicContact CE1-CG2 4.03Å
679S24.6Very low30.5Very low117 Ų117130.2 Ų130.282%0.81879%0.785SS**  -172.3142.7116.7-1600000111.8
680P44.6Very low30.9Very low92 Ų92132.4 Ų132.460%0.59779%0.79SS**  trans-117.6151.5-178.240.9-31.3000115.8
681Y29.5Very low30.5Very low195 Ų195131.1 Ų131.177%0.76579%0.794SS**  trans61.6159.5170.3-63.2-73000115.8
682F27Very low30.6Very low187 Ų187133.2 Ų133.282%0.8280%0.796SS**  cis-139.9177.425.7-91.3-84.6000114.8
683H35.9Very low30Very low167 Ų167132.6 Ų132.677%0.77379%0.793SS**  trans-75.7157.1169-54.3-98.7000113.3
684T28.5Very low30.9Very low156 Ų156133.3 Ų133.396%0.95780%0.801SS**  trans-150.4148.6145.14.90000110.1
685G24.2Very low31.2Very low79 Ų79132.4 Ų132.481%0.81480%0.8SS**  trans1748.9-177.900000120.9
686A32.2Very low30.6Very low94 Ų94136 Ų13678%0.77781%0.808SS**  trans-168.4107.5165.900000114.2
687V32.7Very low30.9Very low156 Ų156130.4 Ų130.495%0.94581%0.805SS**  -165.3149.5123.6-930000107.6
688G26Very low31.1Very low87 Ų87130.7 Ų130.790%0.89780%0.8SS**  trans-89.1152.3-16100000116.6
689G24.3Very low31.5Very low79 Ų79128.6 Ų128.681%0.81480%0.795SS**  trans-128.2142.8158.600000108.9
690L35.2Very low32.9Very low185 Ų185128.6 Ų128.697%0.96979%0.792SS**  trans-96.4123.9-169.3-67.1164.8000112.4
691S23.1Very low33.5Very low120 Ų120129.4 Ų129.484%0.83979%0.787SS**  trans-161.7172.7142.9-153.80000111.2
692M37.8Very low35.7Very low155 Ų155124.3 Ų124.376%0.76477%0.774SS**  trans-70.2163.7170.2-52.6-91.24700109.4
693D25.8Very low38.4Very low151 Ų151115.6 Ų115.681%0.80774%0.736SS**  cis-142.5-177.627.9-139.2-70000113.7
694G41.7Very low40.8Very low70 Ų70110.9 Ų110.972%0.72272%0.719SS**  trans-90.8115.1-17900000113
695E33.9Very low43.6Very low183 Ų183110.6 Ų110.686%0.85570%0.704SS**  trans-119.5127.2161.9-161.2179.2107.200109.7A697E695-A697 PolarHBondContact O-N 2.75Å
696E31.3Very low46.9Very low174 Ų174107.8 Ų107.881%0.81367%0.669SS**PPolyproline II helixtrans-75.3116.2177.8-176.3161.4105.900109P698E696-P698 WeakPolarHBondContact O-CD 3.15Å
697A32.8Very low49.7Very low90 Ų90106.9 Ų106.974%0.74465%0.654SS**PPolyproline II helixtrans-55.4117.1175.900000108.7E695 A699E695-A697 PolarHBondContact O-N 2.75Å; A697-A699 PolarHBondContact O-N 3.49Å
698P33.2Very low52.6Low90 Ų90101.3 Ų101.358%0.58462%0.62SS**PPolyproline II helixtrans-60.4138.8-158.117.3-30.9000111.8E696 E701E696-P698 WeakPolarHBondContact O-CD 3.15Å; P698-E701 HydrophobicContact CB-CG 4.48Å
699A37.9Very low55.9Low74 Ų74101 Ų10161%0.61260%0.598SS**PPolyproline II helixtrans-47.7146.2165.700000109.3A697 E701A697-A699 PolarHBondContact O-N 3.49Å; A699-E701 PolarHBondContact O-N 3.01Å
700P52.3Low59.2Low117 Ų117100.7 Ų100.776%0.7658%0.577SS**  trans-57.8101.6-173.324.7-35.1000110D702P700-D702 PolarHBondContact O-N 3.35Å
701E57.9Low62Low108 Ų10891.9 Ų91.951%0.50553%0.531SS..  trans-57.7135.4-167.4-63172.9152.200110.3P698 A699 V703 W706P698-E701 HydrophobicContact CB-CG 4.48Å; A699-E701 PolarHBondContact O-N 3.01Å; E701-V703 PolarHBondContact O-N 2.87Å; E701-W706 PolarHBondContact OE2-NE1 3.48Å
702D76.1Confident65.3Low89 Ų8986.5 Ų86.548%0.47649%0.494SS..  trans-57.1114.2174.4-57.1-69.3000107.7P700 T704 K705P700-D702 PolarHBondContact O-N 3.35Å; D702-T704 PolarHBondContact O-N 2.88Å; D702-K705 HydrophobicContact CB-CD 4.06Å; D702-K705 HydrophobicContact CB-CG 4.27Å; D702-K705 WeakPolarHBondContact O-CB 3.19Å; D702-K705 PolarHBondContact O-N 2.99Å; D702-K705 WeakPolarHBondContact OD2-CE 3.47Å; D702-K705 IonicContact OD2-NZ 3.38Å; D702-K705 PolarHBondContact OD2-NZ 3.31Å
703V84.4Confident67.9Low4 Ų483.1 Ų83.12%0.02449%0.485CS..G310 helixtrans-54.1-27.5-174175.80000111.5E701 K705 W706 G735 L738 P739 R767 L768E701-V703 PolarHBondContact O-N 2.87Å; V703-K705 PolarHBondContact O-N 3.41Å; V703-W706 HydrophobicContact CG1-CD2 4.25Å; V703-W706 HydrophobicContact CG1-CE3 3.83Å; V703-W706 HydrophobicContact CG1-CZ3 4.17Å; V703-W706 WeakPolarHBondContact O-CB 3.24Å; V703-W706 PolarHBondContact O-N 3.14Å; V703-G735 CarbonylContact C-O 3.54Å; V703-G735 CarbonylContact O-C 3.56Å; V703-G735 WeakPolarHBondContact O-CA 3.49Å; V703-L738 HydrophobicContact CG1-CD2 4.16Å; V703-P739 HydrophobicContact CG1-CG 4.42Å; V703-R767 HydrophobicContact CG2-CB 3.64Å; V703-L768 HydrophobicContact CB-CD2 3.8Å; V703-L768 HydrophobicContact CB-CG 4.38Å; V703-L768 HydrophobicContact CG1-CD2 4.39Å; V703-L768 HydrophobicContact CG2-CD2 4.12Å; V703-L768 HydrophobicContact CG2-CG 4.3Å
704T84.9Confident71.1Confident67 Ų6776.9 Ų76.941%0.41145%0.451SS..G310 helixtrans-60.7-19.717455.20000114.9D702 G735 E736D702-T704 PolarHBondContact O-N 2.88Å; T704-G735 WeakPolarHBondContact CA-O 3.39Å; T704-E736 VanDerWaalsContact O-CG 3.26Å; T704-E736 WeakPolarHBondContact O-CG 3.24Å
705K87.9Confident73.5Confident151 Ų15173.6 Ų73.666%0.65742%0.417SS*.G310 helixtrans-88.8-7.3178.9-65.5171.1178.7161.10113.5D702 V703D702-K705 HydrophobicContact CB-CD 4.06Å; D702-K705 HydrophobicContact CB-CG 4.27Å; D702-K705 WeakPolarHBondContact O-CB 3.19Å; D702-K705 PolarHBondContact O-N 2.99Å; D702-K705 WeakPolarHBondContact OD2-CE 3.47Å; D702-K705 IonicContact OD2-NZ 3.38Å; D702-K705 PolarHBondContact OD2-NZ 3.31Å; V703-K705 PolarHBondContact O-N 3.41Å
706W92.9Very high76.2Confident20 Ų2066.6 Ų66.68%0.07639%0.394CS..  trans-70.2135.2-176.3-72.1-5.9000112.2E701 V703 D710 V711 F714 G735 L738E701-W706 PolarHBondContact OE2-NE1 3.48Å; V703-W706 HydrophobicContact CG1-CD2 4.25Å; V703-W706 HydrophobicContact CG1-CE3 3.83Å; V703-W706 HydrophobicContact CG1-CZ3 4.17Å; V703-W706 WeakPolarHBondContact O-CB 3.24Å; V703-W706 PolarHBondContact O-N 3.14Å; W706-D710 HydrophobicContact CB-CB 3.92Å; W706-D710 HydrophobicContact CG-CB 4.11Å; W706-V711 HydrophobicContact CB-CG2 4.17Å; W706-V711 HydrophobicContact CE3-CG2 4.29Å; W706-F714 HydrophobicContact CH2-CB 4.09Å; W706-F714 HydrophobicContact CH2-CD1 4.35Å; W706-F714 AromaticContact CH2-CD2 3.72Å; W706-F714 HydrophobicContact CH2-CD2 3.72Å; W706-F714 HydrophobicContact CH2-CE2 4.21Å; W706-F714 AromaticContact CH2-CG 3.79Å; W706-F714 HydrophobicContact CH2-CG 3.79Å; W706-F714 HydrophobicContact CZ3-CB 3.85Å; W706-F714 AromaticContact CZ3-CD1 3.75Å; W706-F714 HydrophobicContact CZ3-CD1 3.75Å; W706-F714 AromaticContact CZ3-CD2 3.97Å; W706-F714 HydrophobicContact CZ3-CD2 3.97Å; W706-F714 HydrophobicContact CZ3-CE1 4.26Å; W706-F714 HydrophobicContact CZ3-CE2 4.45Å; W706-F714 AromaticContact CZ3-CG 3.57Å; W706-F714 HydrophobicContact CZ3-CG 3.57Å; W706-G735 WeakPolarHBondContact O-CA 3.31Å; W706-G735 PolarHBondContact O-N 2.97Å; W706-L738 HydrophobicContact CE3-CD2 4.09Å; W706-L738 HydrophobicContact CZ3-CD2 4.11Å
707T92.4Very high79Confident75 Ų7561.6 Ų61.646%0.4639%0.389SS..  trans-76.9168.7169.771.60000111.1D709 D710 V711T707-D709 PolarHBondContact O-N 3.27Å; T707-D709 PolarHBondContact OG1-N 3Å; T707-D710 VanDerWaalsContact CB-OD2 3.3Å; T707-D710 WeakPolarHBondContact CB-OD2 3.5Å; T707-D710 WeakPolarHBondContact CG2-OD2 3.47Å; T707-D710 PolarHBondContact N-OD2 3.06Å; T707-D710 PolarHBondContact O-N 3.44Å; T707-D710 VanDerWaalsContact O-N 3.08Å; T707-D710 VanDerWaalsContact OG1-CG 3.3Å; T707-D710 PolarHBondContact OG1-N 3.02Å; T707-D710 PolarHBondContact OG1-OD2 3.21Å; T707-V711 WeakPolarHBondContact O-CG2 3.4Å; T707-V711 PolarHBondContact O-N 3.13Å
708V93.9Very high81.8Confident38 Ų3858.7 Ų58.723%0.2336%0.361CS..Hα-helixtrans-56.4-33.8173.2-174.70000111.7C712 G732 I733 D734V708-C712 WeakPolarHBondContact O-CB 3.29Å; V708-C712 PolarHBondContact O-N 3.26Å; V708-C712 PolarHBondContact O-SG 3.39Å; V708-G732 WeakPolarHBondContact CG2-O 3.42Å; V708-I733 WeakPolarHBondContact CA-O 3.33Å; V708-D734 HydrophobicContact CG2-CB 4.19Å
709D94.3Very high84.4Confident81 Ų8158.7 Ų58.743%0.43336%0.363SS..Hα-helixtrans-70.6-35.9176.8-87-83.3000113T707 C712 S713 R729T707-D709 PolarHBondContact O-N 3.27Å; T707-D709 PolarHBondContact OG1-N 3Å; D709-C712 PolarHBondContact O-N 2.98Å; D709-S713 WeakPolarHBondContact O-CB 3.46Å; D709-S713 PolarHBondContact O-N 2.79Å; D709-S713 PolarHBondContact O-OG 3.12Å; D709-R729 IonicContact OD1-CZ 3.93Å; D709-R729 IonicContact OD1-NH1 2.95Å; D709-R729 PolarHBondContact OD1-NH1 3.36Å; D709-R729 IonicContact OD1-NH2 2.67Å; D709-R729 PolarHBondContact OD1-NH2 2.99Å; D709-R729 IonicContact OD2-CZ 2.68Å; D709-R729 IonicContact OD2-NH1 3.2Å; D709-R729 PolarHBondContact OD2-NH1 3.06Å
710D93.3Very high86.7Confident72 Ų7258.1 Ų58.139%0.38536%0.364SS..Hα-helixtrans-69.6-42.2174.2-55.2-53.6000111.2W706 T707 S713 F714W706-D710 HydrophobicContact CB-CB 3.92Å; W706-D710 HydrophobicContact CG-CB 4.11Å; T707-D710 VanDerWaalsContact CB-OD2 3.3Å; T707-D710 WeakPolarHBondContact CB-OD2 3.5Å; T707-D710 WeakPolarHBondContact CG2-OD2 3.47Å; T707-D710 PolarHBondContact N-OD2 3.06Å; T707-D710 PolarHBondContact O-N 3.44Å; T707-D710 VanDerWaalsContact O-N 3.08Å; T707-D710 VanDerWaalsContact OG1-CG 3.3Å; T707-D710 PolarHBondContact OG1-N 3.02Å; T707-D710 PolarHBondContact OG1-OD2 3.21Å; D710-S713 PolarHBondContact O-N 3.28Å; D710-F714 VanDerWaalsContact O-CB 3.28Å; D710-F714 WeakPolarHBondContact O-CB 3.46Å; D710-F714 PolarHBondContact O-N 2.99Å
711V93.5Very high88.4Confident0 Ų052.5 Ų52.50%033%0.328CS..Hα-helixtrans-60.6-44.7172.7175.70000110.8W706 T707 F714 V715 F728 I733 L738W706-V711 HydrophobicContact CB-CG2 4.17Å; W706-V711 HydrophobicContact CE3-CG2 4.29Å; T707-V711 WeakPolarHBondContact O-CG2 3.4Å; T707-V711 PolarHBondContact O-N 3.13Å; V711-F714 PolarHBondContact O-N 3.09Å; V711-V715 HydrophobicContact CG1-CG2 4.49Å; V711-V715 WeakPolarHBondContact O-CG2 3.49Å; V711-V715 PolarHBondContact O-N 2.98Å; V711-F728 HydrophobicContact CG1-CD1 3.8Å; V711-I733 WeakPolarHBondContact CB-O 3.18Å; V711-I733 HydrophobicContact CG1-CB 4.47Å; V711-I733 HydrophobicContact CG1-CG2 4.08Å; V711-L738 HydrophobicContact CG1-CD1 4.14Å; V711-L738 HydrophobicContact CG1-CD2 4.06Å; V711-L738 HydrophobicContact CG1-CG 4.5Å; V711-L738 HydrophobicContact CG2-CB 4.49Å; V711-L738 HydrophobicContact CG2-CD2 4.02Å
712C93.3Very high89.8Confident7 Ų749 Ų495%0.04732%0.32CS..Hα-helixtrans-62.6-41.9175.4-72.60000112.1V708 D709 V715 G716 T725V708-C712 WeakPolarHBondContact O-CB 3.29Å; V708-C712 PolarHBondContact O-N 3.26Å; V708-C712 PolarHBondContact O-SG 3.39Å; D709-C712 PolarHBondContact O-N 2.98Å; C712-V715 PolarHBondContact O-N 2.89Å; C712-G716 PolarHBondContact O-N 2.66Å; C712-T725 VanDerWaalsContact O-CG2 3.31Å; C712-T725 WeakPolarHBondContact O-CG2 3.44Å; C712-T725 PolarHBondContact SG-O 3.05Å
713S92.8Very high90.4Very high85 Ų8550.5 Ų50.559%0.59433%0.325SS*.Hα-helixtrans-65.1-40.9177.2-60.90000111.5D709 D710 G716 G717D709-S713 WeakPolarHBondContact O-CB 3.46Å; D709-S713 PolarHBondContact O-N 2.79Å; D709-S713 PolarHBondContact O-OG 3.12Å; D710-S713 PolarHBondContact O-N 3.28Å; S713-G716 PolarHBondContact O-N 3.22Å; S713-G717 PolarHBondContact O-N 3.21Å
714F92.3Very high90.7Very high20 Ų2051.1 Ų51.19%0.08833%0.327CS..Hα-helixtrans-63.3-47.4174.2166.1-107000112.8W706 D710 V711 G716 G717 L718 L738 Q763 V764W706-F714 HydrophobicContact CH2-CB 4.09Å; W706-F714 HydrophobicContact CH2-CD1 4.35Å; W706-F714 AromaticContact CH2-CD2 3.72Å; W706-F714 HydrophobicContact CH2-CD2 3.72Å; W706-F714 HydrophobicContact CH2-CE2 4.21Å; W706-F714 AromaticContact CH2-CG 3.79Å; W706-F714 HydrophobicContact CH2-CG 3.79Å; W706-F714 HydrophobicContact CZ3-CB 3.85Å; W706-F714 AromaticContact CZ3-CD1 3.75Å; W706-F714 HydrophobicContact CZ3-CD1 3.75Å; W706-F714 AromaticContact CZ3-CD2 3.97Å; W706-F714 HydrophobicContact CZ3-CD2 3.97Å; W706-F714 HydrophobicContact CZ3-CE1 4.26Å; W706-F714 HydrophobicContact CZ3-CE2 4.45Å; W706-F714 AromaticContact CZ3-CG 3.57Å; W706-F714 HydrophobicContact CZ3-CG 3.57Å; D710-F714 VanDerWaalsContact O-CB 3.28Å; D710-F714 WeakPolarHBondContact O-CB 3.46Å; D710-F714 PolarHBondContact O-N 2.99Å; V711-F714 PolarHBondContact O-N 3.09Å; F714-G716 VanDerWaalsContact C-N 3.31Å; F714-G716 PolarHBondContact O-N 3.15Å; F714-G717 PolarHBondContact O-N 3.44Å; F714-L718 HydrophobicContact CE1-CD1 4.29Å; F714-L718 HydrophobicContact CZ-CD1 4.16Å; F714-L738 HydrophobicContact CD1-CD2 4.26Å; F714-L738 HydrophobicContact CE1-CD2 4.27Å; F714-Q763 HydrophobicContact CE2-CB 4.36Å; F714-Q763 HydrophobicContact CE2-CG 3.49Å; F714-Q763 VanDerWaalsContact CE2-CG 3.49Å; F714-Q763 HydrophobicContact CZ-CB 3.86Å; F714-Q763 HydrophobicContact CZ-CG 3.5Å; F714-V764 HydrophobicContact CE1-CG2 3.67Å; F714-V764 HydrophobicContact CZ-CG2 4.03Å
715V92.6Very high91Very high0 Ų049.8 Ų49.80%032%0.318CS..Hα-helixtrans-66.5-34.6176.1173.10000111.1V711 C712 L718 C721 T725 F728 I760V711-V715 HydrophobicContact CG1-CG2 4.49Å; V711-V715 WeakPolarHBondContact O-CG2 3.49Å; V711-V715 PolarHBondContact O-N 2.98Å; C712-V715 PolarHBondContact O-N 2.89Å; V715-L718 PolarHBondContact O-N 3.32Å; V715-C721 HydrophobicContact CG1-CB 4.21Å; V715-C721 WeakPolarHBondContact O-CB 3.35Å; V715-T725 HydrophobicContact CB-CG2 4.15Å; V715-T725 HydrophobicContact CG1-CG2 3.96Å; V715-F728 HydrophobicContact CG1-CD2 4.26Å; V715-F728 HydrophobicContact CG1-CE2 4.36Å; V715-F728 HydrophobicContact CG2-CD1 4.13Å; V715-F728 HydrophobicContact CG2-CD2 4.38Å; V715-F728 HydrophobicContact CG2-CE1 4.14Å; V715-F728 HydrophobicContact CG2-CE2 4.38Å; V715-F728 HydrophobicContact CG2-CG 4.26Å; V715-F728 HydrophobicContact CG2-CZ 4.27Å; V715-I760 HydrophobicContact CG1-CD1 3.98Å; V715-I760 HydrophobicContact CG2-CD1 4.27Å; V715-I760 HydrophobicContact CG2-CG2 4.49Å
716G91.4Very high91.2Very high37 Ų3750.7 Ų50.738%0.38132%0.318SS..Hα-helixtrans-65.3-38.1175.100000113.3C712 S713 F714 L718 T725C712-G716 PolarHBondContact O-N 2.66Å; S713-G716 PolarHBondContact O-N 3.22Å; F714-G716 VanDerWaalsContact C-N 3.31Å; F714-G716 PolarHBondContact O-N 3.15Å; G716-L718 PolarHBondContact O-N 2.97Å; G716-T725 VanDerWaalsContact N-CG2 3.25Å
717G90.1Very high91.2Very high69 Ų6951.3 Ų51.371%0.71132%0.324SS*.THydrogen-bonded Turntrans-69.7-6.4173.700000115.1S713 F714S713-G717 PolarHBondContact O-N 3.21Å; F714-G717 PolarHBondContact O-N 3.44Å
718L91.4Very high91.2Very high28 Ų2847.7 Ų47.715%0.14730%0.302CS..SBendtrans-91.3129.2178.2-71.3175.2000112.1F714 V715 G716 G720 C721 I760 Q763F714-L718 HydrophobicContact CE1-CD1 4.29Å; F714-L718 HydrophobicContact CZ-CD1 4.16Å; V715-L718 PolarHBondContact O-N 3.32Å; G716-L718 PolarHBondContact O-N 2.97Å; L718-G720 PolarHBondContact O-N 3.31Å; L718-G720 VanDerWaalsContact O-N 3.14Å; L718-C721 HydrophobicContact CB-CB 3.7Å; L718-C721 WeakPolarHBondContact O-CB 3.48Å; L718-C721 PolarHBondContact O-N 3.34Å; L718-I760 HydrophobicContact CD1-CG1 3.91Å; L718-Q763 HydrophobicContact CD1-CB 4.39Å; L718-Q763 HydrophobicContact CD2-CB 4.37Å; L718-Q763 HydrophobicContact CD2-CG 4.09Å
719S87.7Confident91.1Very high91 Ų9151.5 Ų51.564%0.63631%0.312SS*.THydrogen-bonded Turntrans-59.3116.3-174.359.80000112.4C721 K759S719-C721 VanDerWaalsContact C-N 3.29Å; S719-C721 PolarHBondContact O-N 3.14Å; S719-K759 PolarHBondContact O-NZ 3.25Å; S719-K759 PolarHBondContact OG-NZ 3.05Å
720G85.4Confident91Very high61 Ų6153.2 Ų53.263%0.62932%0.317SS*.THydrogen-bonded Turntrans70.121.6-176.700000114.5L718L718-G720 PolarHBondContact O-N 3.31Å; L718-G720 VanDerWaalsContact O-N 3.14Å
721C87.9Confident90.9Very high0 Ų054.8 Ų54.80%032%0.322CS..THydrogen-bonded Turntrans-112-10.6172.7-59.40000113.2V715 L718 S719 E723 Y724 I760V715-C721 HydrophobicContact CG1-CB 4.21Å; V715-C721 WeakPolarHBondContact O-CB 3.35Å; L718-C721 HydrophobicContact CB-CB 3.7Å; L718-C721 WeakPolarHBondContact O-CB 3.48Å; L718-C721 PolarHBondContact O-N 3.34Å; S719-C721 VanDerWaalsContact C-N 3.29Å; S719-C721 PolarHBondContact O-N 3.14Å; C721-E723 PolarHBondContact O-N 3.1Å; C721-E723 VanDerWaalsContact O-N 3.14Å; C721-Y724 PolarHBondContact O-N 2.79Å; C721-I760 HydrophobicContact CB-CD1 4.47Å
722G87.8Confident90.7Very high33 Ų3356.7 Ų56.734%0.3434%0.342SS..G310 helixtrans-53.5-33.5-179.200000115Y724 T725G722-Y724 PolarHBondContact O-N 2.85Å; G722-T725 WeakPolarHBondContact O-CB 3.22Å; G722-T725 WeakPolarHBondContact O-CG2 3.44Å; G722-T725 PolarHBondContact O-N 3.42Å; G722-T725 PolarHBondContact O-OG1 3.24Å
723E89Confident90.7Very high121 Ų12156.8 Ų56.857%0.56534%0.342SS*.G310 helixtrans-60.9-24.5176.964.3-177.5-174.400113.3C721 K753C721-E723 PolarHBondContact O-N 3.1Å; C721-E723 VanDerWaalsContact O-N 3.14Å; E723-K753 IonicContact OE1-NZ 3.61Å; E723-K753 PolarHBondContact OE1-NZ 3.27Å; E723-K753 IonicContact OE2-NZ 3.52Å
724Y89.6Confident90.7Very high17 Ų1755.3 Ų55.37%0.06733%0.327CS..G310 helixtrans-92.4-9.3-179.4-54.5-73.8000114C721 G722 R726 V727 F728 L752 K753 P756C721-Y724 PolarHBondContact O-N 2.79Å; G722-Y724 PolarHBondContact O-N 2.85Å; Y724-R726 PolarHBondContact O-N 3.24Å; Y724-V727 WeakPolarHBondContact O-CA 3.31Å; Y724-V727 WeakPolarHBondContact O-CB 3.34Å; Y724-V727 PolarHBondContact O-N 3.17Å; Y724-F728 WeakPolarHBondContact O-CD2 3.44Å; Y724-F728 PolarHBondContact O-N 2.77Å; Y724-F728 VanDerWaalsContact O-N 3.1Å; Y724-L752 HydrophobicContact CD1-CB 4.5Å; Y724-L752 HydrophobicContact CD1-CD1 3.71Å; Y724-L752 HydrophobicContact CD1-CG 3.58Å; Y724-L752 HydrophobicContact CD2-CG 4.24Å; Y724-L752 HydrophobicContact CE1-CB 4.33Å; Y724-L752 HydrophobicContact CE1-CD1 4.31Å; Y724-L752 HydrophobicContact CE1-CG 3.87Å; Y724-L752 HydrophobicContact CG-CD1 4.09Å; Y724-L752 HydrophobicContact CG-CD2 4.32Å; Y724-L752 HydrophobicContact CG-CG 3.77Å; Y724-K753 VanDerWaalsContact OH-CD 3.27Å; Y724-K753 WeakPolarHBondContact OH-CD 3.48Å; Y724-K753 WeakPolarHBondContact OH-CE 3.49Å; Y724-K753 WeakPolarHBondContact OH-CG 3.44Å; Y724-K753 PolarHBondContact OH-N 2.81Å; Y724-K753 PolarHBondContact OH-NZ 2.87Å; Y724-P756 HydrophobicContact CD2-CB 3.95Å; Y724-P756 HydrophobicContact CD2-CG 4.39Å; Y724-P756 HydrophobicContact CE2-CB 3.52Å; Y724-P756 HydrophobicContact CE2-CG 3.52Å
725T92.1Very high90.6Very high39 Ų3954.3 Ų54.324%0.23932%0.323CS..Hα-helixtrans-55-38.5-179.853.90000112.6C712 V715 G716 G722 V727 F728 R729C712-T725 VanDerWaalsContact O-CG2 3.31Å; C712-T725 WeakPolarHBondContact O-CG2 3.44Å; C712-T725 PolarHBondContact SG-O 3.05Å; V715-T725 HydrophobicContact CB-CG2 4.15Å; V715-T725 HydrophobicContact CG1-CG2 3.96Å; G716-T725 VanDerWaalsContact N-CG2 3.25Å; G722-T725 WeakPolarHBondContact O-CB 3.22Å; G722-T725 WeakPolarHBondContact O-CG2 3.44Å; G722-T725 PolarHBondContact O-N 3.42Å; G722-T725 PolarHBondContact O-OG1 3.24Å; T725-V727 VanDerWaalsContact C-N 3.33Å; T725-V727 PolarHBondContact O-N 3.29Å; T725-F728 PolarHBondContact O-N 3.41Å; T725-R729 PolarHBondContact O-N 3.33Å
726R91.4Very high90.3Very high170 Ų17060.3 Ų60.364%0.64235%0.351SS*.Hα-helixtrans-59.6-41.4173.3179.8176.2169171.20.2112.3Y724 R729 E730Y724-R726 PolarHBondContact O-N 3.24Å; R726-R729 WeakPolarHBondContact O-CB 3.26Å; R726-R729 PolarHBondContact O-N 3.27Å; R726-E730 HydrophobicContact CG-CG 4.28Å; R726-E730 IonicContact CZ-OE1 2.67Å; R726-E730 IonicContact NE-OE1 2.89Å; R726-E730 PolarHBondContact NE-OE1 3.21Å; R726-E730 IonicContact NE-OE2 2.82Å; R726-E730 IonicContact NH2-OE1 3.2Å; R726-E730 PolarHBondContact NH2-OE1 2.77Å; R726-E730 WeakPolarHBondContact O-CB 3.36Å; R726-E730 WeakPolarHBondContact O-CG 3.32Å; R726-E730 PolarHBondContact O-N 2.88Å
727V92.3Very high90.2Very high33 Ų3361 Ų6120%0.235%0.347CS..Hα-helixtrans-67.1-41.7179-172.90000111Y724 T725 R729 E730 Q731 M750Y724-V727 WeakPolarHBondContact O-CA 3.31Å; Y724-V727 WeakPolarHBondContact O-CB 3.34Å; Y724-V727 PolarHBondContact O-N 3.17Å; T725-V727 VanDerWaalsContact C-N 3.33Å; T725-V727 PolarHBondContact O-N 3.29Å; V727-R729 VanDerWaalsContact C-N 3.28Å; V727-R729 PolarHBondContact O-N 2.99Å; V727-E730 PolarHBondContact O-N 3.2Å; V727-Q731 HydrophobicContact CG1-CG 4.26Å; V727-Q731 WeakPolarHBondContact O-CB 3.49Å; V727-Q731 VanDerWaalsContact O-CG 3.3Å; V727-Q731 WeakPolarHBondContact O-CG 3.47Å; V727-Q731 PolarHBondContact O-N 3.05Å; V727-M750 HydrophobicContact CG1-CB 3.85Å; V727-M750 HydrophobicContact CG1-CG 3.86Å
728F92.8Very high90.2Very high0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-62.2-36.7174.3-81-105.2000111.9V711 V715 Y724 T725 G732 I733 L738 L741 L746 M750 L752 I760V711-F728 HydrophobicContact CG1-CD1 3.8Å; V715-F728 HydrophobicContact CG1-CD2 4.26Å; V715-F728 HydrophobicContact CG1-CE2 4.36Å; V715-F728 HydrophobicContact CG2-CD1 4.13Å; V715-F728 HydrophobicContact CG2-CD2 4.38Å; V715-F728 HydrophobicContact CG2-CE1 4.14Å; V715-F728 HydrophobicContact CG2-CE2 4.38Å; V715-F728 HydrophobicContact CG2-CG 4.26Å; V715-F728 HydrophobicContact CG2-CZ 4.27Å; Y724-F728 WeakPolarHBondContact O-CD2 3.44Å; Y724-F728 PolarHBondContact O-N 2.77Å; Y724-F728 VanDerWaalsContact O-N 3.1Å; T725-F728 PolarHBondContact O-N 3.41Å; F728-G732 PolarHBondContact O-N 2.69Å; F728-I733 HydrophobicContact CB-CB 4.44Å; F728-I733 HydrophobicContact CB-CG1 4.5Å; F728-I733 HydrophobicContact CD1-CB 3.82Å; F728-I733 HydrophobicContact CD1-CG1 3.94Å; F728-I733 HydrophobicContact CD1-CG2 3.81Å; F728-I733 HydrophobicContact CE1-CG2 4.2Å; F728-I733 HydrophobicContact CG-CG1 4.44Å; F728-I733 PolarHBondContact O-N 3.38Å; F728-L738 HydrophobicContact CD1-CD1 4.44Å; F728-L738 HydrophobicContact CE1-CD1 3.79Å; F728-L741 HydrophobicContact CE1-CD1 3.87Å; F728-L741 HydrophobicContact CZ-CD1 4.49Å; F728-L746 HydrophobicContact CE1-CD2 4.44Å; F728-L746 HydrophobicContact CE2-CD2 4.35Å; F728-L746 HydrophobicContact CZ-CD2 3.63Å; F728-M750 HydrophobicContact CE2-SD 4.22Å; F728-M750 HydrophobicContact CZ-SD 4.22Å; F728-L752 HydrophobicContact CE2-CD1 4.32Å; F728-L752 HydrophobicContact CE2-CD2 4.23Å; F728-I760 HydrophobicContact CE2-CD1 3.9Å; F728-I760 HydrophobicContact CZ-CD1 3.85Å; F728-I760 HydrophobicContact CZ-CG2 4.19Å
729R92.9Very high90.1Very high118 Ų11858.9 Ų58.945%0.44532%0.322SS..Hα-helixtrans-68.1-45.6173.1-169176.1-67.4-86.21.5112.9D709 T725 R726 V727 Q731 G732D709-R729 IonicContact OD1-CZ 3.93Å; D709-R729 IonicContact OD1-NH1 2.95Å; D709-R729 PolarHBondContact OD1-NH1 3.36Å; D709-R729 IonicContact OD1-NH2 2.67Å; D709-R729 PolarHBondContact OD1-NH2 2.99Å; D709-R729 IonicContact OD2-CZ 2.68Å; D709-R729 IonicContact OD2-NH1 3.2Å; D709-R729 PolarHBondContact OD2-NH1 3.06Å; T725-R729 PolarHBondContact O-N 3.33Å; R726-R729 WeakPolarHBondContact O-CB 3.26Å; R726-R729 PolarHBondContact O-N 3.27Å; V727-R729 VanDerWaalsContact C-N 3.28Å; V727-R729 PolarHBondContact O-N 2.99Å; R729-Q731 VanDerWaalsContact C-N 3.31Å; R729-Q731 PolarHBondContact O-N 3.13Å; R729-G732 PolarHBondContact O-N 2.92Å; R729-G732 VanDerWaalsContact O-N 3.11Å
730E91.4Very high90.1Very high117 Ų11760.7 Ų60.755%0.54732%0.324SS..Hα-helixtrans-68.1-29.6-179.2-75.3173.2156.100112.7R726 V727R726-E730 HydrophobicContact CG-CG 4.28Å; R726-E730 IonicContact CZ-OE1 2.67Å; R726-E730 IonicContact NE-OE1 2.89Å; R726-E730 PolarHBondContact NE-OE1 3.21Å; R726-E730 IonicContact NE-OE2 2.82Å; R726-E730 IonicContact NH2-OE1 3.2Å; R726-E730 PolarHBondContact NH2-OE1 2.77Å; R726-E730 WeakPolarHBondContact O-CB 3.36Å; R726-E730 WeakPolarHBondContact O-CG 3.32Å; R726-E730 PolarHBondContact O-N 2.88Å; V727-E730 PolarHBondContact O-N 3.2Å
731Q91.3Very high90.3Very high105 Ų10558.7 Ų58.749%0.49130%0.299SS..THydrogen-bonded Turntrans-87.1-1.2172.3-62.8-66.1-2600113.4V727 R729 I733 M750V727-Q731 HydrophobicContact CG1-CG 4.26Å; V727-Q731 WeakPolarHBondContact O-CB 3.49Å; V727-Q731 VanDerWaalsContact O-CG 3.3Å; V727-Q731 WeakPolarHBondContact O-CG 3.47Å; V727-Q731 PolarHBondContact O-N 3.05Å; R729-Q731 VanDerWaalsContact C-N 3.31Å; R729-Q731 PolarHBondContact O-N 3.13Å; Q731-I733 VanDerWaalsContact C-N 3.31Å; Q731-I733 HydrophobicContact CB-CD1 3.87Å; Q731-I733 HydrophobicContact CB-CG1 3.92Å; Q731-I733 PolarHBondContact O-N 2.78Å; Q731-M750 HydrophobicContact CG-CG 4.13Å
732G90Very high90.4Very high39 Ų3962.3 Ų62.340%0.40232%0.321SS..THydrogen-bonded Turntrans63.529.5178.400000114.9V708 F728 R729 D734V708-G732 WeakPolarHBondContact CG2-O 3.42Å; F728-G732 PolarHBondContact O-N 2.69Å; R729-G732 PolarHBondContact O-N 2.92Å; R729-G732 VanDerWaalsContact O-N 3.11Å; G732-D734 PolarHBondContact O-N 2.99Å
733I92.6Very high90.6Very high10 Ų1064 Ų645%0.05132%0.32CS..  trans-69.4113.5-174.3-54.3-54.6000110.7V708 V711 F728 Q731 L738 L741V708-I733 WeakPolarHBondContact CA-O 3.33Å; V711-I733 WeakPolarHBondContact CB-O 3.18Å; V711-I733 HydrophobicContact CG1-CB 4.47Å; V711-I733 HydrophobicContact CG1-CG2 4.08Å; F728-I733 HydrophobicContact CB-CB 4.44Å; F728-I733 HydrophobicContact CB-CG1 4.5Å; F728-I733 HydrophobicContact CD1-CB 3.82Å; F728-I733 HydrophobicContact CD1-CG1 3.94Å; F728-I733 HydrophobicContact CD1-CG2 3.81Å; F728-I733 HydrophobicContact CE1-CG2 4.2Å; F728-I733 HydrophobicContact CG-CG1 4.44Å; F728-I733 PolarHBondContact O-N 3.38Å; Q731-I733 VanDerWaalsContact C-N 3.31Å; Q731-I733 HydrophobicContact CB-CD1 3.87Å; Q731-I733 HydrophobicContact CB-CG1 3.92Å; Q731-I733 PolarHBondContact O-N 2.78Å; I733-L738 HydrophobicContact CG2-CB 4.02Å; I733-L738 HydrophobicContact CG2-CD1 4.31Å; I733-L741 HydrophobicContact CD1-CD2 4.06Å; I733-L741 HydrophobicContact CG2-CD1 3.85Å
734D92.7Very high90.5Very high53 Ų5364.7 Ų64.728%0.28332%0.324SS..  trans-99.2-176.8175.667.57.1000112.6V708 G732 E736 T737 L738V708-D734 HydrophobicContact CG2-CB 4.19Å; G732-D734 PolarHBondContact O-N 2.99Å; D734-E736 VanDerWaalsContact C-N 3.31Å; D734-E736 PolarHBondContact O-N 2.96Å; D734-E736 PolarHBondContact OD1-N 3.2Å; D734-T737 PolarHBondContact N-OG1 3.35Å; D734-T737 VanDerWaalsContact N-OG1 3.1Å; D734-T737 PolarHBondContact O-OG1 3.19Å; D734-T737 VanDerWaalsContact OD1-CB 3.29Å; D734-T737 WeakPolarHBondContact OD1-CB 3.46Å; D734-T737 WeakPolarHBondContact OD1-CG2 3.29Å; D734-T737 PolarHBondContact OD1-N 3.45Å; D734-T737 PolarHBondContact OD1-OG1 3.07Å; D734-L738 WeakPolarHBondContact O-CB 3.39Å; D734-L738 PolarHBondContact O-N 3.39Å
735G89.2Confident90.6Very high0 Ų066.5 Ų66.50%033%0.332CS..THydrogen-bonded Turntrans-66-25.6178.800000115.5V703 T704 W706 P739V703-G735 CarbonylContact C-O 3.54Å; V703-G735 CarbonylContact O-C 3.56Å; V703-G735 WeakPolarHBondContact O-CA 3.49Å; T704-G735 WeakPolarHBondContact CA-O 3.39Å; W706-G735 WeakPolarHBondContact O-CA 3.31Å; W706-G735 PolarHBondContact O-N 2.97Å; G735-P739 WeakPolarHBondContact O-CD 3.47Å; G735-P739 WeakPolarHBondContact O-CG 3.28Å
736E87.6Confident90.6Very high126 Ų12664.7 Ų64.759%0.58932%0.321SS*.THydrogen-bonded Turntrans-84-34.3179.6-59.9-157.9155.100112T704 D734 P739T704-E736 VanDerWaalsContact O-CG 3.26Å; T704-E736 WeakPolarHBondContact O-CG 3.24Å; D734-E736 VanDerWaalsContact C-N 3.31Å; D734-E736 PolarHBondContact O-N 2.96Å; D734-E736 PolarHBondContact OD1-N 3.2Å; E736-P739 WeakPolarHBondContact O-CD 3.47Å
737T88.8Confident90.6Very high51 Ų5159.4 Ų59.431%0.31331%0.306SS..THydrogen-bonded Turntrans-83.6-35.1177.256.20000113.3D734 P739 L740 L741D734-T737 PolarHBondContact N-OG1 3.35Å; D734-T737 VanDerWaalsContact N-OG1 3.1Å; D734-T737 PolarHBondContact O-OG1 3.19Å; D734-T737 VanDerWaalsContact OD1-CB 3.29Å; D734-T737 WeakPolarHBondContact OD1-CB 3.46Å; D734-T737 WeakPolarHBondContact OD1-CG2 3.29Å; D734-T737 PolarHBondContact OD1-N 3.45Å; D734-T737 PolarHBondContact OD1-OG1 3.07Å; T737-P739 VanDerWaalsContact C-CD 3.45Å; T737-P739 VanDerWaalsContact C-N 3.34Å; T737-L740 WeakPolarHBondContact O-CA 3.28Å; T737-L740 WeakPolarHBondContact O-CB 3.47Å; T737-L740 PolarHBondContact O-N 2.95Å; T737-L741 WeakPolarHBondContact O-CD2 3.18Å; T737-L741 WeakPolarHBondContact O-CG 3.28Å; T737-L741 PolarHBondContact O-N 3.01Å
738L89.9Confident90.4Very high6 Ų662.8 Ų62.83%0.03133%0.326CS..THydrogen-bonded Turntrans-51-39.2178.7178.768.4000114.6V703 W706 V711 F714 F728 I733 D734 L740 L741 I760 V764V703-L738 HydrophobicContact CG1-CD2 4.16Å; W706-L738 HydrophobicContact CE3-CD2 4.09Å; W706-L738 HydrophobicContact CZ3-CD2 4.11Å; V711-L738 HydrophobicContact CG1-CD1 4.14Å; V711-L738 HydrophobicContact CG1-CD2 4.06Å; V711-L738 HydrophobicContact CG1-CG 4.5Å; V711-L738 HydrophobicContact CG2-CB 4.49Å; V711-L738 HydrophobicContact CG2-CD2 4.02Å; F714-L738 HydrophobicContact CD1-CD2 4.26Å; F714-L738 HydrophobicContact CE1-CD2 4.27Å; F728-L738 HydrophobicContact CD1-CD1 4.44Å; F728-L738 HydrophobicContact CE1-CD1 3.79Å; I733-L738 HydrophobicContact CG2-CB 4.02Å; I733-L738 HydrophobicContact CG2-CD1 4.31Å; D734-L738 WeakPolarHBondContact O-CB 3.39Å; D734-L738 PolarHBondContact O-N 3.39Å; L738-L740 VanDerWaalsContact C-N 3.31Å; L738-L740 PolarHBondContact O-N 3.02Å; L738-L741 HydrophobicContact CD1-CD1 3.99Å; L738-I760 HydrophobicContact CD1-CG2 4.31Å; L738-V764 HydrophobicContact CD1-CG2 3.91Å; L738-V764 HydrophobicContact CD2-CG2 3.75Å; L738-V764 HydrophobicContact CG-CG1 4.26Å; L738-V764 HydrophobicContact CG-CG2 3.71Å
739P89Confident90.1Very high46 Ų4667.7 Ų67.730%0.29935%0.352SS..THydrogen-bonded Turntrans-66.3-23.6171.8-25.336.2000115.6V703 G735 E736 T737 L768V703-P739 HydrophobicContact CG1-CG 4.42Å; G735-P739 WeakPolarHBondContact O-CD 3.47Å; G735-P739 WeakPolarHBondContact O-CG 3.28Å; E736-P739 WeakPolarHBondContact O-CD 3.47Å; T737-P739 VanDerWaalsContact C-CD 3.45Å; T737-P739 VanDerWaalsContact C-N 3.34Å; P739-L768 HydrophobicContact CB-CD1 3.69Å; P739-L768 HydrophobicContact CG-CD1 3.94Å; P739-L768 HydrophobicContact CG-CD2 4.07Å
740L88.4Confident89.9Confident130 Ų13062.6 Ų62.668%0.68133%0.334SS*.THydrogen-bonded Turntrans-91.8-15.3-172.7-55.1177.9000112.7T737 L738 T742T737-L740 WeakPolarHBondContact O-CA 3.28Å; T737-L740 WeakPolarHBondContact O-CB 3.47Å; T737-L740 PolarHBondContact O-N 2.95Å; L738-L740 VanDerWaalsContact C-N 3.31Å; L738-L740 PolarHBondContact O-N 3.02Å; L740-T742 PolarHBondContact O-N 3.16Å; L740-T742 VanDerWaalsContact O-N 3.17Å
741L89.5Confident89.7Confident18 Ų1859.4 Ų59.49%0.09433%0.333CS..  trans-64.1115.2-176.7-45.9178.2000111.2F728 I733 T737 L738 L746 M750F728-L741 HydrophobicContact CE1-CD1 3.87Å; F728-L741 HydrophobicContact CZ-CD1 4.49Å; I733-L741 HydrophobicContact CD1-CD2 4.06Å; I733-L741 HydrophobicContact CG2-CD1 3.85Å; T737-L741 WeakPolarHBondContact O-CD2 3.18Å; T737-L741 WeakPolarHBondContact O-CG 3.28Å; T737-L741 PolarHBondContact O-N 3.01Å; L738-L741 HydrophobicContact CD1-CD1 3.99Å; L741-L746 HydrophobicContact CB-CD1 4.46Å; L741-L746 HydrophobicContact CB-CG 4.28Å; L741-L746 HydrophobicContact CD1-CD2 4.19Å; L741-M750 HydrophobicContact CD1-CE 4.03Å; L741-M750 HydrophobicContact CD2-CE 4.28Å
742T90.3Very high89.7Confident76 Ų7654.7 Ų54.747%0.46631%0.311SS..  trans-72.6165.117666.70000111.5L740 E744 H745 L746L740-T742 PolarHBondContact O-N 3.16Å; L740-T742 VanDerWaalsContact O-N 3.17Å; T742-E744 VanDerWaalsContact C-N 3.3Å; T742-H745 PolarHBondContact O-N 3.37Å; T742-H745 VanDerWaalsContact OG1-CB 3.29Å; T742-H745 WeakPolarHBondContact OG1-CB 3.35Å; T742-H745 PolarHBondContact OG1-N 2.91Å; T742-L746 PolarHBondContact O-N 2.96Å
743E90.8Very high89.8Confident68 Ų6858.7 Ų58.732%0.31832%0.317SS..Hα-helixtrans-59.9-44.5173.1-160.3165.6141.100111.1L746 L747 L758 R761E743-L746 PolarHBondContact O-N 2.97Å; E743-L747 HydrophobicContact CG-CD1 4.17Å; E743-L747 WeakPolarHBondContact O-CB 3.15Å; E743-L747 VanDerWaalsContact O-CG 3.22Å; E743-L747 WeakPolarHBondContact O-CG 3.28Å; E743-L747 PolarHBondContact O-N 3.13Å; E743-L758 HydrophobicContact CG-CD2 4.46Å; E743-R761 IonicContact OE2-CZ 3.74Å; E743-R761 IonicContact OE2-NH1 2.74Å; E743-R761 PolarHBondContact OE2-NH1 2.94Å; E743-R761 IonicContact OE2-NH2 2.78Å
744E88.9Confident89.7Confident137 Ų13762.4 Ų62.464%0.6434%0.337SS*.Hα-helixtrans-60.4-42.7175.2-178.3173.1-159.800112.5T742 L746 L747 T748T742-E744 VanDerWaalsContact C-N 3.3Å; E744-L746 PolarHBondContact O-N 3.22Å; E744-L747 PolarHBondContact O-N 2.95Å; E744-T748 WeakPolarHBondContact O-CA 3.08Å; E744-T748 WeakPolarHBondContact O-CB 3.45Å; E744-T748 PolarHBondContact O-N 3.25Å; E744-T748 PolarHBondContact O-OG1 3.17Å; E744-T748 VanDerWaalsContact O-OG1 3.11Å
745H90.3Very high89.6Confident54 Ų5461.9 Ų61.925%0.2534%0.344CS..Iπ-helixtrans-65.7-39.3-179.8-173.359.4000112.3T742 N749 M750T742-H745 PolarHBondContact O-N 3.37Å; T742-H745 VanDerWaalsContact OG1-CB 3.29Å; T742-H745 WeakPolarHBondContact OG1-CB 3.35Å; T742-H745 PolarHBondContact OG1-N 2.91Å; H745-N749 WeakPolarHBondContact ND1-CB 3.28Å; H745-N749 VanDerWaalsContact ND1-CG 3.28Å; H745-N749 PolarHBondContact ND1-OD1 3.35Å; H745-N749 WeakPolarHBondContact O-CB 3.43Å; H745-N749 PolarHBondContact O-N 3.09Å; H745-N749 VanDerWaalsContact O-N 3.1Å; H745-M750 WeakPolarHBondContact CD2-CE 3.35Å; H745-M750 PolarHBondContact O-N 3.46Å; H745-M750 VanDerWaalsContact O-N 3.14Å
746L92.3Very high89.7Confident1 Ų162.8 Ų62.81%0.00535%0.35CS..Iπ-helixtrans-65.8-43.3174-70.4160.6000112.1F728 L741 T742 E743 E744 M750 G751 L752 A757 R761F728-L746 HydrophobicContact CE1-CD2 4.44Å; F728-L746 HydrophobicContact CE2-CD2 4.35Å; F728-L746 HydrophobicContact CZ-CD2 3.63Å; L741-L746 HydrophobicContact CB-CD1 4.46Å; L741-L746 HydrophobicContact CB-CG 4.28Å; L741-L746 HydrophobicContact CD1-CD2 4.19Å; T742-L746 PolarHBondContact O-N 2.96Å; E743-L746 PolarHBondContact O-N 2.97Å; E744-L746 PolarHBondContact O-N 3.22Å; L746-M750 HydrophobicContact CD2-CE 3.64Å; L746-M750 HydrophobicContact CD2-SD 3.89Å; L746-M750 HydrophobicContact CG-CE 4.11Å; L746-M750 CarbonylContact O-C 3.59Å; L746-M750 WeakPolarHBondContact O-CB 3.42Å; L746-G751 PolarHBondContact O-N 3.39Å; L746-L752 HydrophobicContact CB-CD2 4.48Å; L746-L752 HydrophobicContact CD2-CD2 4.04Å; L746-L752 WeakPolarHBondContact O-CB 3.3Å; L746-L752 PolarHBondContact O-N 3.08Å; L746-A757 HydrophobicContact CB-CB 3.84Å; L746-A757 HydrophobicContact CD1-CB 4.29Å; L746-R761 VanDerWaalsContact CD1-CD 3.44Å; L746-R761 HydrophobicContact CD1-CG 3.55Å
747L91.8Very high89.9Confident60 Ų6056.8 Ų56.831%0.31432%0.321SS..Iπ-helixtrans-70.7-49.1-179.7-69.4171.1000112.5E743 E744 G751 L752 L754 A757E743-L747 HydrophobicContact CG-CD1 4.17Å; E743-L747 WeakPolarHBondContact O-CB 3.15Å; E743-L747 VanDerWaalsContact O-CG 3.22Å; E743-L747 WeakPolarHBondContact O-CG 3.28Å; E743-L747 PolarHBondContact O-N 3.13Å; E744-L747 PolarHBondContact O-N 2.95Å; L747-G751 VanDerWaalsContact O-CA 3.27Å; L747-G751 WeakPolarHBondContact O-CA 3.35Å; L747-G751 PolarHBondContact O-N 2.92Å; L747-L752 VanDerWaalsContact CD2-O 3.32Å; L747-L752 WeakPolarHBondContact CD2-O 3.4Å; L747-L754 HydrophobicContact CD1-CD1 4.14Å; L747-L754 HydrophobicContact CD2-CB 4.1Å; L747-L754 HydrophobicContact CD2-CD1 4.11Å; L747-A757 HydrophobicContact CD2-CB 4.35Å
748T87.5Confident90.1Very high103 Ų10357 Ų5763%0.63232%0.32SS*.Iπ-helixtrans-95.1-42.8-164.6-50.30000112.7E744E744-T748 WeakPolarHBondContact O-CA 3.08Å; E744-T748 WeakPolarHBondContact O-CB 3.45Å; E744-T748 PolarHBondContact O-N 3.25Å; E744-T748 PolarHBondContact O-OG1 3.17Å; E744-T748 VanDerWaalsContact O-OG1 3.11Å
749N87.1Confident90.2Very high103 Ų10361.1 Ų61.155%0.55134%0.338SS*.Iπ-helixtrans-88.1-39.6-179.7-6099.6000112.5H745H745-N749 WeakPolarHBondContact ND1-CB 3.28Å; H745-N749 VanDerWaalsContact ND1-CG 3.28Å; H745-N749 PolarHBondContact ND1-OD1 3.35Å; H745-N749 WeakPolarHBondContact O-CB 3.43Å; H745-N749 PolarHBondContact O-N 3.09Å; H745-N749 VanDerWaalsContact O-N 3.1Å
750M87.7Confident90.3Very high11 Ų1159 Ų595%0.05433%0.325CS..SBendtrans-94.5-6.6178.7-73.8175.9-102.100114.2V727 F728 Q731 L741 H745 L746 L752V727-M750 HydrophobicContact CG1-CB 3.85Å; V727-M750 HydrophobicContact CG1-CG 3.86Å; F728-M750 HydrophobicContact CE2-SD 4.22Å; F728-M750 HydrophobicContact CZ-SD 4.22Å; Q731-M750 HydrophobicContact CG-CG 4.13Å; L741-M750 HydrophobicContact CD1-CE 4.03Å; L741-M750 HydrophobicContact CD2-CE 4.28Å; H745-M750 WeakPolarHBondContact CD2-CE 3.35Å; H745-M750 PolarHBondContact O-N 3.46Å; H745-M750 VanDerWaalsContact O-N 3.14Å; L746-M750 HydrophobicContact CD2-CE 3.64Å; L746-M750 HydrophobicContact CD2-SD 3.89Å; L746-M750 HydrophobicContact CG-CE 4.11Å; L746-M750 CarbonylContact O-C 3.59Å; L746-M750 WeakPolarHBondContact O-CB 3.42Å; M750-L752 VanDerWaalsContact C-N 3.27Å; M750-L752 HydrophobicContact CB-CD1 3.51Å; M750-L752 PolarHBondContact O-N 2.87Å
751G87.6Confident90.4Very high51 Ų5156.2 Ų56.253%0.52631%0.305SS..  trans66.821.3176.500000115L746 L747L746-G751 PolarHBondContact O-N 3.39Å; L747-G751 VanDerWaalsContact O-CA 3.27Å; L747-G751 WeakPolarHBondContact O-CA 3.35Å; L747-G751 PolarHBondContact O-N 2.92Å
752L91.9Very high90.4Very high6 Ų657.3 Ų57.33%0.03132%0.317CS..  trans-67.5144.5177.7-85.871000110.9Y724 F728 L746 L747 M750 P756 A757 I760Y724-L752 HydrophobicContact CD1-CB 4.5Å; Y724-L752 HydrophobicContact CD1-CD1 3.71Å; Y724-L752 HydrophobicContact CD1-CG 3.58Å; Y724-L752 HydrophobicContact CD2-CG 4.24Å; Y724-L752 HydrophobicContact CE1-CB 4.33Å; Y724-L752 HydrophobicContact CE1-CD1 4.31Å; Y724-L752 HydrophobicContact CE1-CG 3.87Å; Y724-L752 HydrophobicContact CG-CD1 4.09Å; Y724-L752 HydrophobicContact CG-CD2 4.32Å; Y724-L752 HydrophobicContact CG-CG 3.77Å; F728-L752 HydrophobicContact CE2-CD1 4.32Å; F728-L752 HydrophobicContact CE2-CD2 4.23Å; L746-L752 HydrophobicContact CB-CD2 4.48Å; L746-L752 HydrophobicContact CD2-CD2 4.04Å; L746-L752 WeakPolarHBondContact O-CB 3.3Å; L746-L752 PolarHBondContact O-N 3.08Å; L747-L752 VanDerWaalsContact CD2-O 3.32Å; L747-L752 WeakPolarHBondContact CD2-O 3.4Å; M750-L752 VanDerWaalsContact C-N 3.27Å; M750-L752 HydrophobicContact CB-CD1 3.51Å; M750-L752 PolarHBondContact O-N 2.87Å; L752-P756 HydrophobicContact CD2-CB 4.27Å; L752-A757 HydrophobicContact CB-CB 4.06Å; L752-A757 HydrophobicContact CD2-CB 4.21Å; L752-I760 HydrophobicContact CD2-CD1 3.7Å
753K92.3Very high90.3Very high123 Ų12356.1 Ų56.154%0.53531%0.306SS..  trans-68.2148.1163.5-61.1159.8-160.4144.40108.6E723 Y724 G755 P756 A757E723-K753 IonicContact OE1-NZ 3.61Å; E723-K753 PolarHBondContact OE1-NZ 3.27Å; E723-K753 IonicContact OE2-NZ 3.52Å; Y724-K753 VanDerWaalsContact OH-CD 3.27Å; Y724-K753 WeakPolarHBondContact OH-CD 3.48Å; Y724-K753 WeakPolarHBondContact OH-CE 3.49Å; Y724-K753 WeakPolarHBondContact OH-CG 3.44Å; Y724-K753 PolarHBondContact OH-N 2.81Å; Y724-K753 PolarHBondContact OH-NZ 2.87Å; K753-G755 VanDerWaalsContact C-N 3.29Å; K753-G755 PolarHBondContact O-N 3.25Å; K753-P756 HydrophobicContact CB-CG 4.23Å; K753-P756 VanDerWaalsContact O-CD 3.23Å; K753-P756 WeakPolarHBondContact O-CD 3.42Å; K753-A757 PolarHBondContact O-N 3.4Å; K753-A757 VanDerWaalsContact O-N 3.07Å
754L89.6Confident90.3Very high88 Ų8853.3 Ų53.346%0.46129%0.293SS..Hα-helixtrans-53.5-40.9-177.2-175.964000113.6L747 A757 L758L747-L754 HydrophobicContact CD1-CD1 4.14Å; L747-L754 HydrophobicContact CD2-CB 4.1Å; L747-L754 HydrophobicContact CD2-CD1 4.11Å; L754-A757 PolarHBondContact O-N 3.06Å; L754-L758 HydrophobicContact CD1-CD1 3.86Å; L754-L758 HydrophobicContact CD1-CD2 4.29Å; L754-L758 HydrophobicContact CD1-CG 3.88Å; L754-L758 HydrophobicContact CD2-CD1 4.38Å; L754-L758 HydrophobicContact CG-CD1 3.7Å; L754-L758 HydrophobicContact CG-CG 4.16Å; L754-L758 WeakPolarHBondContact O-CB 3.49Å; L754-L758 WeakPolarHBondContact O-CG 3.4Å; L754-L758 PolarHBondContact O-N 3.08Å
755G90.5Very high90.2Very high42 Ų4248 Ų4843%0.43327%0.273SS..Hα-helixtrans-56.5-60.5177.100000113.4K753 A757 L758 K759K753-G755 VanDerWaalsContact C-N 3.29Å; K753-G755 PolarHBondContact O-N 3.25Å; G755-A757 PolarHBondContact O-N 3.04Å; G755-L758 PolarHBondContact O-N 2.72Å; G755-K759 WeakPolarHBondContact O-CG 3.46Å; G755-K759 PolarHBondContact O-N 2.87Å
756P91.9Very high89.9Confident18 Ų1854.4 Ų54.412%0.11730%0.295CS..Hα-helixtrans-50.7-46.9170.4-31.235.2000114.8Y724 L752 K753 L758 K759 I760Y724-P756 HydrophobicContact CD2-CB 3.95Å; Y724-P756 HydrophobicContact CD2-CG 4.39Å; Y724-P756 HydrophobicContact CE2-CB 3.52Å; Y724-P756 HydrophobicContact CE2-CG 3.52Å; L752-P756 HydrophobicContact CD2-CB 4.27Å; K753-P756 HydrophobicContact CB-CG 4.23Å; K753-P756 VanDerWaalsContact O-CD 3.23Å; K753-P756 WeakPolarHBondContact O-CD 3.42Å; P756-L758 PolarHBondContact O-N 3.38Å; P756-K759 WeakPolarHBondContact O-CB 3.5Å; P756-K759 PolarHBondContact O-N 2.92Å; P756-I760 WeakPolarHBondContact O-CG1 3.38Å; P756-I760 PolarHBondContact O-N 3.33Å
757A92.7Very high89.4Confident0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-60.7-45.3-179.500000112.4L746 L747 L752 K753 L754 G755 R761L746-A757 HydrophobicContact CB-CB 3.84Å; L746-A757 HydrophobicContact CD1-CB 4.29Å; L747-A757 HydrophobicContact CD2-CB 4.35Å; L752-A757 HydrophobicContact CB-CB 4.06Å; L752-A757 HydrophobicContact CD2-CB 4.21Å; K753-A757 PolarHBondContact O-N 3.4Å; K753-A757 VanDerWaalsContact O-N 3.07Å; L754-A757 PolarHBondContact O-N 3.06Å; G755-A757 PolarHBondContact O-N 3.04Å; A757-R761 PolarHBondContact O-N 3.31Å; A757-R761 VanDerWaalsContact O-N 3.11Å
758L91.6Very high88.9Confident55 Ų5560 Ų6029%0.28832%0.316SS..Hα-helixtrans-66.3-39.5175.5-65.5172.6000112E743 L754 G755 P756 A762 Y773E743-L758 HydrophobicContact CG-CD2 4.46Å; L754-L758 HydrophobicContact CD1-CD1 3.86Å; L754-L758 HydrophobicContact CD1-CD2 4.29Å; L754-L758 HydrophobicContact CD1-CG 3.88Å; L754-L758 HydrophobicContact CD2-CD1 4.38Å; L754-L758 HydrophobicContact CG-CD1 3.7Å; L754-L758 HydrophobicContact CG-CG 4.16Å; L754-L758 WeakPolarHBondContact O-CB 3.49Å; L754-L758 WeakPolarHBondContact O-CG 3.4Å; L754-L758 PolarHBondContact O-N 3.08Å; G755-L758 PolarHBondContact O-N 2.72Å; P756-L758 PolarHBondContact O-N 3.38Å; L758-A762 WeakPolarHBondContact O-CB 3.37Å; L758-A762 PolarHBondContact O-N 3.43Å; L758-Y773 WeakPolarHBondContact CD2-OH 3.41Å
759K92Very high87.8Confident94 Ų9458.1 Ų58.141%0.40932%0.316SS..Hα-helixtrans-59.1-48.7175.6-80.3-176.7179.9-170.10112S719 G755 P756 A762 Q763S719-K759 PolarHBondContact O-NZ 3.25Å; S719-K759 PolarHBondContact OG-NZ 3.05Å; G755-K759 WeakPolarHBondContact O-CG 3.46Å; G755-K759 PolarHBondContact O-N 2.87Å; P756-K759 WeakPolarHBondContact O-CB 3.5Å; P756-K759 PolarHBondContact O-N 2.92Å; K759-A762 PolarHBondContact O-N 3.04Å; K759-Q763 WeakPolarHBondContact O-CB 3.48Å; K759-Q763 PolarHBondContact O-N 3.32Å
760I91.9Very high86.2Confident2 Ų261.3 Ų61.31%0.0132%0.321CS..Hα-helixtrans-63.5-53.4-178.9-66.2166.8000109.3V715 L718 C721 F728 L738 L752 P756 A762 Q763 V764V715-I760 HydrophobicContact CG1-CD1 3.98Å; V715-I760 HydrophobicContact CG2-CD1 4.27Å; V715-I760 HydrophobicContact CG2-CG2 4.49Å; L718-I760 HydrophobicContact CD1-CG1 3.91Å; C721-I760 HydrophobicContact CB-CD1 4.47Å; F728-I760 HydrophobicContact CE2-CD1 3.9Å; F728-I760 HydrophobicContact CZ-CD1 3.85Å; F728-I760 HydrophobicContact CZ-CG2 4.19Å; L738-I760 HydrophobicContact CD1-CG2 4.31Å; L752-I760 HydrophobicContact CD2-CD1 3.7Å; P756-I760 WeakPolarHBondContact O-CG1 3.38Å; P756-I760 PolarHBondContact O-N 3.33Å; I760-A762 VanDerWaalsContact C-N 3.34Å; I760-A762 PolarHBondContact O-N 2.9Å; I760-Q763 PolarHBondContact O-N 2.89Å; I760-Q763 VanDerWaalsContact O-N 3.11Å; I760-V764 HydrophobicContact CG2-CG2 4.2Å; I760-V764 VanDerWaalsContact O-CG2 3.3Å; I760-V764 WeakPolarHBondContact O-CG2 3.39Å; I760-V764 PolarHBondContact O-N 3.41Å
761R90.4Very high83.9Confident70 Ų7066.5 Ų66.526%0.26435%0.352SS..Hα-helixtrans-57.5-42.2178.1-79.9177.559.4-121.813.5113.2E743 L746 A757 Q763 V764 A765 Y773E743-R761 IonicContact OE2-CZ 3.74Å; E743-R761 IonicContact OE2-NH1 2.74Å; E743-R761 PolarHBondContact OE2-NH1 2.94Å; E743-R761 IonicContact OE2-NH2 2.78Å; L746-R761 VanDerWaalsContact CD1-CD 3.44Å; L746-R761 HydrophobicContact CD1-CG 3.55Å; A757-R761 PolarHBondContact O-N 3.31Å; A757-R761 VanDerWaalsContact O-N 3.11Å; R761-Q763 PolarHBondContact O-N 2.94Å; R761-V764 PolarHBondContact O-N 3.49Å; R761-A765 VanDerWaalsContact O-CB 3.31Å; R761-A765 WeakPolarHBondContact O-CB 3.44Å; R761-A765 PolarHBondContact O-N 3.37Å; R761-Y773 PolarHBondContact NH1-OH 3.3Å
762A89.1Confident81.8Confident42 Ų4271.7 Ų71.735%0.34736%0.361SS..Hα-helixtrans-62.7-42176.600000112.3L758 K759 I760 R766L758-A762 WeakPolarHBondContact O-CB 3.37Å; L758-A762 PolarHBondContact O-N 3.43Å; K759-A762 PolarHBondContact O-N 3.04Å; I760-A762 VanDerWaalsContact C-N 3.34Å; I760-A762 PolarHBondContact O-N 2.9Å; A762-R766 VanDerWaalsContact O-CG 3.27Å; A762-R766 WeakPolarHBondContact O-CG 3.34Å; A762-R766 PolarHBondContact O-N 2.85Å
763Q89.1Confident79.1Confident51 Ų5177.5 Ų77.524%0.23838%0.383CS..Hα-helixtrans-73.7-36.1179.7-169.678.2-25.200112.6F714 L718 K759 I760 R761 R766 R767F714-Q763 HydrophobicContact CE2-CB 4.36Å; F714-Q763 HydrophobicContact CE2-CG 3.49Å; F714-Q763 VanDerWaalsContact CE2-CG 3.49Å; F714-Q763 HydrophobicContact CZ-CB 3.86Å; F714-Q763 HydrophobicContact CZ-CG 3.5Å; L718-Q763 HydrophobicContact CD1-CB 4.39Å; L718-Q763 HydrophobicContact CD2-CB 4.37Å; L718-Q763 HydrophobicContact CD2-CG 4.09Å; K759-Q763 WeakPolarHBondContact O-CB 3.48Å; K759-Q763 PolarHBondContact O-N 3.32Å; I760-Q763 PolarHBondContact O-N 2.89Å; I760-Q763 VanDerWaalsContact O-N 3.11Å; R761-Q763 PolarHBondContact O-N 2.94Å; Q763-R766 WeakPolarHBondContact O-CB 3.41Å; Q763-R766 PolarHBondContact O-N 3.37Å; Q763-R767 PolarHBondContact O-N 2.87Å; Q763-R767 VanDerWaalsContact O-N 3.11Å
764V90.5Very high76.4Confident8 Ų877.4 Ų77.45%0.04839%0.393CS..Hα-helixtrans-62.4-49172.7171.10000110.4F714 L738 I760 R761 R766 R767 L768F714-V764 HydrophobicContact CE1-CG2 3.67Å; F714-V764 HydrophobicContact CZ-CG2 4.03Å; L738-V764 HydrophobicContact CD1-CG2 3.91Å; L738-V764 HydrophobicContact CD2-CG2 3.75Å; L738-V764 HydrophobicContact CG-CG1 4.26Å; L738-V764 HydrophobicContact CG-CG2 3.71Å; I760-V764 HydrophobicContact CG2-CG2 4.2Å; I760-V764 VanDerWaalsContact O-CG2 3.3Å; I760-V764 WeakPolarHBondContact O-CG2 3.39Å; I760-V764 PolarHBondContact O-N 3.41Å; R761-V764 PolarHBondContact O-N 3.49Å; V764-R766 VanDerWaalsContact C-N 3.28Å; V764-R766 PolarHBondContact O-N 2.98Å; V764-R767 PolarHBondContact O-N 2.85Å; V764-R767 VanDerWaalsContact O-N 3.07Å; V764-L768 HydrophobicContact CG1-CD1 3.6Å; V764-L768 HydrophobicContact CG1-CG 4.32Å; V764-L768 WeakPolarHBondContact O-CG 3.24Å; V764-L768 PolarHBondContact O-N 2.86Å
765A85.8Confident73.6Confident27 Ų2777 Ų7722%0.22340%0.402CS..Hα-helixtrans-59.3-36.6175.800000112.9R761 G769 R770R761-A765 VanDerWaalsContact O-CB 3.31Å; R761-A765 WeakPolarHBondContact O-CB 3.44Å; R761-A765 PolarHBondContact O-N 3.37Å; A765-G769 PolarHBondContact O-N 3.38Å; A765-R770 PolarHBondContact O-N 3.14Å
766R83.9Confident70.9Confident188 Ų18880.7 Ų80.771%0.70942%0.421SS*.Hα-helixtrans-64.6-37173.7-77.1178.372.7-1515.2113.4A762 Q763 V764A762-R766 VanDerWaalsContact O-CG 3.27Å; A762-R766 WeakPolarHBondContact O-CG 3.34Å; A762-R766 PolarHBondContact O-N 2.85Å; Q763-R766 WeakPolarHBondContact O-CB 3.41Å; Q763-R766 PolarHBondContact O-N 3.37Å; V764-R766 VanDerWaalsContact C-N 3.28Å; V764-R766 PolarHBondContact O-N 2.98Å
767R82.7Confident67.8Low125 Ų12588.6 Ų88.647%0.47245%0.454SS..Hα-helixtrans-75.5-41.1177.5-74.1-175.3172.8-89.510.4112.3V703 Q763 V764 G769V703-R767 HydrophobicContact CG2-CB 3.64Å; Q763-R767 PolarHBondContact O-N 2.87Å; Q763-R767 VanDerWaalsContact O-N 3.11Å; V764-R767 PolarHBondContact O-N 2.85Å; V764-R767 VanDerWaalsContact O-N 3.07Å; R767-G769 PolarHBondContact O-N 3.24Å; R767-G769 VanDerWaalsContact O-N 3.11Å
768L81.3Confident65.2Low54 Ų5495 Ų9528%0.28350%0.496SS..THydrogen-bonded Turntrans-67.7-5.5177.9-70.3167.6000114.8V703 P739 V764 R770V703-L768 HydrophobicContact CB-CD2 3.8Å; V703-L768 HydrophobicContact CB-CG 4.38Å; V703-L768 HydrophobicContact CG1-CD2 4.39Å; V703-L768 HydrophobicContact CG2-CD2 4.12Å; V703-L768 HydrophobicContact CG2-CG 4.3Å; P739-L768 HydrophobicContact CB-CD1 3.69Å; P739-L768 HydrophobicContact CG-CD1 3.94Å; P739-L768 HydrophobicContact CG-CD2 4.07Å; V764-L768 HydrophobicContact CG1-CD1 3.6Å; V764-L768 HydrophobicContact CG1-CG 4.32Å; V764-L768 WeakPolarHBondContact O-CG 3.24Å; V764-L768 PolarHBondContact O-N 2.86Å; L768-R770 HydrophobicContact CB-CB 4.4Å; L768-R770 HydrophobicContact CB-CG 4.44Å; L768-R770 PolarHBondContact O-N 3.36Å
769G64.9Low62.4Low62 Ų6298.6 Ų98.664%0.63952%0.52SS*.THydrogen-bonded Turntrans64.33.6-174.400000114.9A765 R767 V771A765-G769 PolarHBondContact O-N 3.38Å; R767-G769 PolarHBondContact O-N 3.24Å; R767-G769 VanDerWaalsContact O-N 3.11Å; G769-V771 PolarHBondContact O-N 3.5Å
770R52.3Low59.5Low171 Ų17198.5 Ų98.565%0.64554%0.537SS*.  trans-89.299.9-175.7-74.2-171.2-176.5-164.43.3110.6A765 L768 F772A765-R770 PolarHBondContact O-N 3.14Å; L768-R770 HydrophobicContact CB-CB 4.4Å; L768-R770 HydrophobicContact CB-CG 4.44Å; L768-R770 PolarHBondContact O-N 3.36Å; R770-F772 HydrophobicContact CB-CD2 4.1Å; R770-F772 PolarHBondContact O-N 3.04Å
771V40.3Very low56.6Low119 Ų119105.8 Ų105.872%0.72158%0.575SS**  trans-75.965.2172.7-169.60000110.6G769G769-V771 PolarHBondContact O-N 3.5Å
772F43.3Very low53.8Low161 Ų161107.9 Ų107.971%0.70660%0.597SS**  trans-113.871.5172-71.7-61000110.6R770R770-F772 HydrophobicContact CB-CD2 4.1Å; R770-F772 PolarHBondContact O-N 3.04Å
773Y34.3Very low50.9Low127 Ų127113.8 Ų113.850%0.49862%0.622SS.*  trans-106.574.6159.9-132.2-79.6000109.4L758 R761L758-Y773 WeakPolarHBondContact CD2-OH 3.41Å; R761-Y773 PolarHBondContact NH1-OH 3.3Å
774V35.5Very low48.2Very low121 Ų121120.2 Ų120.273%0.73365%0.652SS**  trans-106115167.8-1780000106.5
775A31Very low45.5Very low79 Ų79124.8 Ų124.865%0.65368%0.682SS**  trans-66.3147.4173.400000110.4F777A775-F777 PolarHBondContact O-N 2.82Å
776S33.7Very low42.9Very low121 Ų121129.5 Ų129.585%0.84671%0.71SS**  trans-51.2117-164-50.50000115.2
777F27.6Very low40.3Very low184 Ų184126.7 Ų126.781%0.80771%0.714SS**  trans-140.5128.5156.3-83.7-80.4000109.2A775 V779A775-F777 PolarHBondContact O-N 2.82Å; F777-V779 PolarHBondContact O-N 3.43Å
778P37.6Very low37.6Very low135 Ų135129 Ų12988%0.87774%0.735SS**  trans-76.890.7178.430.8-33.5000110.5
779V33.4Very low35.1Very low130 Ų130137.2 Ų137.279%0.78876%0.762SS**  trans-84.4114.2162.41780000107.5F777 L781F777-V779 PolarHBondContact O-N 3.43Å; V779-L781 PolarHBondContact O-N 3.31Å
780A31.7Very low33.3Very low92 Ų92138.3 Ų138.376%0.7677%0.765SS**  trans-61.8124.4179.200000110.9
781L29.7Very low32.3Very low155 Ų155136.2 Ų136.281%0.81277%0.774SS**  trans-73.6124166.1-80.2162.7000108.5V779 L783V779-L781 PolarHBondContact O-N 3.31Å; L781-L783 PolarHBondContact O-N 2.67Å; L781-L783 VanDerWaalsContact O-N 3.12Å
782P32.5Very low31.6Very low113 Ų113139.2 Ų139.273%0.73478%0.78SS**  trans-69.4109167.328.7-31.5000108.4Q784P782-Q784 PolarHBondContact O-N 3.28Å; P782-Q784 VanDerWaalsContact O-N 3.13Å
783L29Very low31Very low166 Ų166143.2 Ų143.287%0.86979%0.79SS**  trans-61.4113.7170.9-69.9170.8000108.9L781L781-L783 PolarHBondContact O-N 2.67Å; L781-L783 VanDerWaalsContact O-N 3.12Å
784Q32.1Very low30.5Very low186 Ų186146.4 Ų146.487%0.86981%0.81SS**PPolyproline II helixtrans-73.4129.8166.2-69.4-172-54.800108.6P782P782-Q784 PolarHBondContact O-N 3.28Å; P782-Q784 VanDerWaalsContact O-N 3.13Å
785P32.6Very low30.2Very low105 Ų105149.1 Ų149.168%0.68282%0.819SS**PPolyproline II helixtrans-68.3145.3173.929-34.1000110.4T787P785-T787 PolarHBondContact O-N 3.16Å
786P32.3Very low29.9Very low125 Ų125148.4 Ų148.481%0.81282%0.819SS**PPolyproline II helixtrans-64.9122.2178.526.9-33.8000110.4L788P786-L788 PolarHBondContact O-N 3.07Å
787T28.3Very low29.5Very low129 Ų129149.8 Ų149.879%0.79182%0.823SS**  trans-77.9113.6176.8-47.90000109.4P785 R789P785-T787 PolarHBondContact O-N 3.16Å; T787-R789 PolarHBondContact O-N 3.24Å
788L26.8Very low29.4Very low174 Ų174144.7 Ų144.791%0.91182%0.822SS**  trans-60.3108.9173.4-78.7167000110.4P786P786-L788 PolarHBondContact O-N 3.07Å
789R28.1Very low28.9Very low227 Ų227147 Ų14786%0.85782%0.821SS**  trans-87103.7165.2-85.4-78.5-179.7141.3-2.6108.8T787T787-R789 PolarHBondContact O-N 3.24Å
790A26.6Very low28.6Very low84 Ų84148.9 Ų148.969%0.69482%0.822SS**PPolyproline II helixtrans-64.9151.6159.400000109.6
791P32.4Very low28.7Very low127 Ų127149.8 Ų149.883%0.82582%0.82SS**PPolyproline II helixtrans-81122.9-173.831.1-33.8000111.9
792E25.4Very low28.5Very low183 Ų183151 Ų15186%0.85583%0.826SS**PPolyproline II helixtrans-97.5135160.3-70-173.3109.800109.2
793R29.6Very low28.2Very low245 Ų245150.9 Ų150.993%0.92583%0.828SS**PPolyproline II helixtrans-86.4151-178.9-77.8172.7157.6166.6-8.9110.8
794E25.5Very low29.2Very low194 Ų194148.4 Ų148.491%0.90782%0.822SS**PPolyproline II helixtrans-68.8144.8169.8-62.1-174.5128.700111.7
795L27.7Very low29Very low177 Ų177144.7 Ų144.793%0.92781%0.812SS**PPolyproline II helixtrans-77.3139.8160.3-161.575.2000107.2
796G25.1Very low28.8Very low64 Ų64146.3 Ų146.366%0.6682%0.82SS**  cis143.5109.94.700000108.5
797T25.2Very low28.6Very low150 Ų150144.9 Ų144.992%0.9282%0.819SS**  trans-136.1124.4-175.2-56.70000109.7
798G26Very low28.6Very low77 Ų77145.8 Ų145.879%0.79483%0.825SS**  trans110.4110.4169.600000115.8
799E26.7Very low28.6Very low184 Ų184142.7 Ų142.786%0.8682%0.817SS**  trans-69.3165.1150.9-70.3173.486.700109.9
800Q26.8Very low30Very low170 Ų170136.8 Ų136.879%0.79481%0.808SS**  cis-154.5170.44.9-130.7-167.65.100108.5
801P35.5Very low30.2Very low111 Ų111144.1 Ų144.172%0.72182%0.82SS**  trans-108.5170.9-175.940.3-31.7000115.1
802L24.9Very low30Very low179 Ų179141.9 Ų141.994%0.93782%0.82SS**  trans-134.3149.6164.8-81.7173.3000112.3
803S26.7Very low30.1Very low111 Ų111137.3 Ų137.378%0.77682%0.822SS**  trans-101.5-154.1-176.4-30.90000110.3
804P49.3Very low30Very low114 Ų114129 Ų12974%0.7481%0.812SS**  cis-121.4-147-026.61.3000111.3
805T27.7Very low30.2Very low108 Ų108129 Ų12966%0.66381%0.812SS**  cis-162.9143.313.8-25.60000113.4
806T28.8Very low30.2Very low139 Ų139124.4 Ų124.485%0.85380%0.8SS**  trans65.5155.9151.131.80000122.6
807A28.2Very low30.5Very low95 Ų95129.3 Ų129.379%0.78581%0.81SS**  trans-146.7164.7177.900000110.8
808T28Very low30.7Very low149 Ų149126.9 Ų126.991%0.91481%0.805SS**  trans-147.2166166.7-17.80000111.6
809S27.1Very low30.7Very low108 Ų108126.4 Ų126.476%0.75580%0.801SS**  trans-158.5177.6-172.4-139.70000108.5
810P57.3Low30.7Very low103 Ų103126.5 Ų126.567%0.66980%0.801SS**  cis-136.6-166.3-1.626.8-0.4000115
811Y30.7Very low30.7Very low238 Ų238124.5 Ų124.593%0.93380%0.8SS**  trans76.5140.9164.9-82.6-83.8000120
812G28.3Very low30.2Very low81 Ų81124.2 Ų124.284%0.83580%0.801SS**  trans178.5-100.9-176.400000114
813G27.1Very low31.5Very low87 Ų87120.6 Ų120.690%0.89779%0.788SS**  trans100.8154.4174.600000115.9
814G28Very low31.7Very low70 Ų70123.6 Ų123.672%0.72279%0.787SS**  trans111.787.6158.800000119.8
815H30.3Very low31Very low193 Ų193124.5 Ų124.589%0.89478%0.782SS**  trans53.2124.2140.1-71.6-84.1000124.5
816A27.3Very low31.3Very low82 Ų82125.7 Ų125.768%0.67878%0.78SS**  90123.7122.100000124.2
817L29.7Very low31.7Very low166 Ų166125.6 Ų125.687%0.86977%0.774SS**  trans65.6118.2131.4-73.4167.3000124
818A29.4Very low32.1Very low100 Ų100124 Ų12483%0.82677%0.767SS**  79.6163.9128.600000121.4
819G26.4Very low32.5Very low67 Ų67122.5 Ų122.569%0.69176%0.758SS**  trans92.4126.7-166.100000111.2
820Q26.8Very low32.9Very low185 Ų185125.1 Ų125.186%0.86476%0.762SS**  cis52.3125.130.8-54.2-16315.900112
821T26.6Very low31.8Very low128 Ų128124.2 Ų124.279%0.78576%0.763SS**  cis-143.717727.352.40000114.9
822S26.4Very low31.9Very low105 Ų105119.8 Ų119.873%0.73476%0.755SS**  trans-63.5-178.2158.4-140.70000112.1
823P50.7Low32.2Very low103 Ų103122.9 Ų122.967%0.66975%0.752SS**  cis-144-1712.544.8-25.8000117.3
824K31.2Very low33.1Very low174 Ų174124.6 Ų124.676%0.75775%0.747SS**  trans71.3131.5154.7-79.9-168.1167.5-163.80118.8
825Q34.4Very low33.1Very low133 Ų133125.1 Ų125.162%0.62175%0.752SS**  74.9136.474.6-140.3-165.1-31.200110.2
826E34.9Very low33.2Very low134 Ų134120.6 Ų120.663%0.62675%0.749SS**  cis-167.2160.133.6-167.3-17586.900113
827N36.2Very low34Very low137 Ų137122.7 Ų122.773%0.73376%0.755SS**  trans61.2164158-88.8-40.9000117.6
828G37.3Very low34.3Very low62 Ų62121.7 Ų121.764%0.63975%0.751SS**  cis-176150.8-5.300000107.5
829T36.3Very low35.3Very low116 Ų116122.1 Ų122.171%0.71275%0.745SS**  122.513468.5-79.50000107.9
830L34.7Very low35.7Very low164 Ų164123.4 Ų123.486%0.85974%0.743SS**  trans18.3152.2158.8-59.3165.1000121.4
831A34.5Very low36.4Very low83 Ų83122.9 Ų122.969%0.68674%0.741SS**  cis-179.2-152.7-18.500000105.8
832L34.4Very low37.7Very low146 Ų146122.2 Ų122.276%0.76474%0.739SS**  cis-166.5173.1-4.7-140.1-171.2000107.6
833L33.9Very low38.2Very low145 Ų145124.7 Ų124.776%0.75974%0.743SS**  trans70.2171.3162.3-59.3172000116.8
834P46.6Very low37.5Very low124 Ų124129.2 Ų129.281%0.80578%0.775SS**  -139.3177.4-68.842.2-26.3000114.3
835G27.1Very low37.8Very low80 Ų80127 Ų12783%0.82578%0.776SS**  trans136.1134.5155.800000115.7
836A32.9Very low38Very low99 Ų99126.7 Ų126.782%0.81878%0.784SS**  trans-102.1166.1166.800000109
837P44.1Very low38.2Very low125 Ų125126.3 Ų126.381%0.81279%0.793SS**  -141.5170.76740.3-23.6000116.2
838D35.3Very low38.3Very low145 Ų145125.6 Ų125.678%0.77580%0.796SS**  trans-66163.4158.8-136.9-11.2000109.8
839P50.3Low38.3Very low110 Ų110129.6 Ų129.671%0.71481%0.806SS**  -148.4166.25941-21000118.3
840S34.6Very low38.5Very low93 Ų93130.5 Ų130.565%0.6581%0.812SS**  trans58.2103.3140.763.60000120.4
841Q42.4Very low38.7Very low175 Ų175128.1 Ų128.182%0.81881%0.809SS**  16.8144.6106.3-97.9-171.719.800118.7
842P52.7Low39.1Very low113 Ų113131.6 Ų131.673%0.73482%0.819SS**  -146.4154.469.739.3-22000118.8
843L37.6Very low39.5Very low157 Ų157130.4 Ų130.482%0.82282%0.823SS**  trans45.6101141.2-59.9168.5000118.8
844C36.1Very low40Very low199 Ų199129.1 Ų129.1100%1.34583%0.829SS**  -150.1093.7-151.10000111.5

Retrieved 844 of 844 residues in 589.7 ms (Link to these results)