A0A087YF87_POEFO Loading...

Iroquois homeobox 1a

AlphaFold DB , UniProt , Accession A0A087YF87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 495 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45Very low43.1Very low233 Ų233157.4 Ų157.4100%1.14881%0.809SS**  092.40-68.9151.8143.400106.3
2S35.8Very low43Very low107 Ų107155.7 Ų155.775%0.74880%0.801SS**  94.6111.763.859.30000111.7
3F38.7Very low42.2Very low209 Ų209152.1 Ų152.192%0.91780%0.798SS**  trans-54150.4170.2-73.9-89.7000111.8
4P56.4Low42Very low113 Ų113147.1 Ų147.173%0.73479%0.79SS**  -136.117987.31113.4000114.3
5Q43.1Very low41.7Very low160 Ų160143.5 Ų143.575%0.74878%0.781SS**  cis176.1149.2-29171.1164.5-20.300110.9
6L49Very low41.4Very low165 Ų165145.6 Ų145.686%0.86478%0.784SS**  trans67.6150.6171.8-71157.5000117.9
7G35Very low41.3Very low66 Ų66142.4 Ų142.468%0.6878%0.781SS**  cis-168.4160.6-2.200000114.7
8Y35Very low41.1Very low209 Ų209140.4 Ų140.482%0.8277%0.774SS**  trans-81.6160.5179.9-80.2-89.2000112.6Q10Y8-Q10 HydrophobicContact CD1-CG 4Å; Y8-Q10 HydrophobicContact CG-CG 4.47Å
9P56.4Low40.6Very low121 Ų121145.4 Ų145.479%0.78678%0.782SS**  -12215074.438-30.1000112.8
10Q38.5Very low40.2Very low122 Ų122141.1 Ų141.157%0.5777%0.773SS**  cis66.8103.839.5-78.6-69.9-7.900115.8Y8Y8-Q10 HydrophobicContact CD1-CG 4Å; Y8-Q10 HydrophobicContact CG-CG 4.47Å
11Y41Very low39.7Very low226 Ų226139.3 Ų139.389%0.88677%0.771SS**  -160.2166.5121-111-73.5000111.4
12L42Very low39.1Very low137 Ų137136 Ų13672%0.71775%0.753SS**  trans-96.4150.5-161.9-72.960.3000113.8
13S33.3Very low39.1Very low109 Ų109141.7 Ų141.776%0.76276%0.758SS**  160.4120.8115.5-160.40000109.1
14A38.8Very low39.5Very low82 Ų82137.7 Ų137.768%0.67875%0.753SS**  cis70.112847.900000111.5
15S37.8Very low38.4Very low93 Ų93135.9 Ų135.965%0.6576%0.755SS**  cis-157.4159.78.3-67.20000112.9
16Q37.5Very low38Very low178 Ų178134.7 Ų134.783%0.83276%0.758SS**  trans51.5161.9138.5-68.5168.2-55.200119.9
17A39.2Very low37.3Very low90 Ų90134.6 Ų134.674%0.74476%0.758SS**  cis-158.4177.715.300000109.3
18V37Very low37.4Very low107 Ų107137.2 Ų137.265%0.64876%0.761SS**  cis-173.3135.6-24.8130.30000107.2
19Y32.2Very low38Very low235 Ų235132.7 Ų132.792%0.92276%0.757SS**  trans54.8156.1166.3-85.7-119.3000118.5
20G32.2Very low37Very low59 Ų59132.2 Ų132.261%0.60876%0.756SS**  cis169.4170.2-3.700000110.3
21S31Very low36.7Very low105 Ų105132 Ų13273%0.73477%0.768SS**  trans24.5132.7158.1-84.90000120.9
22E32.3Very low36.4Very low164 Ų164132.7 Ų132.777%0.76677%0.769SS**  cis-151.8176.538.9-92.9-47134.700114.5
23R34.9Very low35.8Very low226 Ų226129.9 Ų129.985%0.85377%0.773SS**  trans-119.3-179.6164.9-104-171.6178-151.52.5109.4
24P47.2Very low35.7Very low124 Ų124128.1 Ų128.181%0.80577%0.773SS**  cis-124.9-178-38.138.1-23.1000111.4
25G33Very low35.7Very low76 Ų76130.5 Ų130.578%0.78478%0.779SS**  trans-168.2143.2169.700000113.8
26V35.3Very low35.7Very low134 Ų134132.3 Ų132.381%0.81279%0.786SS**  trans-135.3135.8-178.6179.20000108.7
27L34.4Very low35.7Very low163 Ų163131 Ų13185%0.85378%0.78SS**  trans164.4160.1134.2-88.2170.4000113.4
28T36.1Very low35.7Very low122 Ų122134.7 Ų134.775%0.74879%0.785SS**  trans-109.4-178.7176.949.70000109.9
29P48.6Very low35.3Very low114 Ų114133 Ų13374%0.7479%0.79SS**  cis-135.9179.3-40.935.1-17.6000114.4
30S33.9Very low35.3Very low110 Ų110125.5 Ų125.577%0.76978%0.784SS**  trans68.5114.1144.5-161.20000122.8
31S33.1Very low35.5Very low117 Ų117128.4 Ų128.482%0.81880%0.795SS**  trans170.2161.3149.2-83.90000109.7
32R34Very low36.5Very low242 Ų242129 Ų12991%0.91380%0.796SS**  cis178.3130.7-24.1164.5-177.1158.8174.3-4.8108.8
33G30.3Very low36.7Very low77 Ų77126.5 Ų126.579%0.79480%0.797SS**  trans100.9162.7150.900000120.6
34G31.7Very low36.8Very low73 Ų73120.2 Ų120.275%0.75379%0.793SS**  trans83.4122.2-179.200000113.6
35T37.1Very low36.4Very low131 Ų131120.8 Ų120.880%0.80479%0.794SS**  cis72.996.93.5-156.20000120.7
36T39.1Very low36.7Very low132 Ų132121.9 Ų121.981%0.8180%0.796SS**  trans-175.2127.7140.634.10000106.3
37E38.1Very low36.8Very low151 Ų151120.1 Ų120.171%0.70680%0.796SS**  80109.456.1-69.4-65.9162.500114.9
38I38.1Very low37.2Very low166 Ų166116.7 Ų116.785%0.85179%0.791SS**  trans64.5140.5156.3-53.3162.7000116.3
39G29.8Very low37.6Very low73 Ų73117.1 Ų117.175%0.75379%0.793SS**  cis157.8156-2.800000110.1
40G30.4Very low37.2Very low76 Ų76117.2 Ų117.278%0.78479%0.792SS**  trans160.5136.6174.800000118.3
41S36.8Very low37.6Very low120 Ų120117 Ų11784%0.83979%0.79SS**  trans-163.8167.6167.8-77.20000106.6
42P53.5Low38Very low117 Ų117117.8 Ų117.876%0.7679%0.79SS**  cis-138.3178.111.643.6-26.7000116.6
43S36Very low38.3Very low113 Ų113114.2 Ų114.279%0.7979%0.788SS**  trans54.1118.7138176.30000122
44A37.4Very low38.8Very low93 Ų93113.8 Ų113.877%0.76978%0.783SS**  trans-143.3130.3137.900000112.2
45T38Very low39.7Very low136 Ų136118.9 Ų118.983%0.83479%0.79SS**  trans-0146.9156.555.80000120.2
46A40.1Very low40.2Very low99 Ų99123.7 Ų123.782%0.81880%0.795SS**  cis-152.3162.531.700000116.1
47A36.2Very low40.3Very low98 Ų98121.6 Ų121.681%0.8179%0.791SS**  trans-77.3167.4163.900000111.1
48A44.1Very low40.5Very low90 Ų90120.8 Ų120.874%0.74479%0.791SS**  cis-162.5-164.8-19.800000105.4
49V42.5Very low41Very low131 Ų131118.5 Ų118.579%0.79479%0.788SS**  cis-144.5-166.520.7-74.50000107.6
50T40.4Very low41.8Very low116 Ų116125.5 Ų125.571%0.71279%0.793SS**  cis-156149.219.7-93.60000109
51S43.1Very low42.7Very low106 Ų106125.6 Ų125.674%0.74179%0.786SS**  trans6146.4149.1-550000121.3
52V40.9Very low43.5Very low133 Ų133128.2 Ų128.281%0.80679%0.785SS**  cis-169.1176.4-11.282.50000109.7
53L39.9Very low43.2Very low168 Ų168130 Ų13088%0.8879%0.788SS**  trans71.594.5167.1-132.168.6000117.6
54G42.8Very low43.6Very low67 Ų67135.5 Ų135.569%0.69179%0.793SS**  trans-163.416.8170.400000114.5Y56G54-Y56 PolarHBondContact O-N 3.29Å
55M49.2Very low44.2Very low181 Ų181136.8 Ų136.889%0.89280%0.797SS**  trans-83.579.3-171-73.415853.700112.3
56Y47.4Very low44.7Very low231 Ų231134.2 Ų134.291%0.90679%0.789SS**  trans-176.678.8141.2-103.7-67.2000109.9G54G54-Y56 PolarHBondContact O-N 3.29Å
57A42.1Very low45.1Very low89 Ų89139 Ų13974%0.73679%0.791SS**  trans-117.6128.2170.900000109.6
58N41.3Very low46Very low133 Ų133141 Ų14171%0.71179%0.788SS**  trans-69.2126.9-177-814.7000111.4Y60N58-Y60 PolarHBondContact O-N 3.27Å
59P48.3Very low46.3Very low119 Ų119142.9 Ų142.977%0.77379%0.793SS**THydrogen-bonded Turntrans-7618.9-179.332.4-36.9000114.6
60Y46.7Very low46.6Very low220 Ų220145 Ų14586%0.86379%0.787SS**THydrogen-bonded Turntrans-127.126.6-171.5-82.1-73.2000113.7N58N58-Y60 PolarHBondContact O-N 3.27Å
61A50.8Low47.4Very low78 Ų78144.2 Ų144.265%0.64578%0.783SS**  trans-121.728.4-174.300000114.9
62H52.3Low48Very low174 Ų174144.4 Ų144.481%0.80678%0.784SS**  trans-126.3140171.9-61-42.8000110.5
63N47.3Very low48.8Very low154 Ų154141.3 Ų141.382%0.82477%0.772SS**SBendtrans1256.4171.4-65.2-26.6000118.1
64Y45.5Very low49.5Very low229 Ų229136.8 Ų136.890%0.89875%0.749SS**  trans-113.3-0.2176.9-88.8-77.4000116.9A66Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.6Å
65S49.2Very low50.2Low121 Ų121139.5 Ų139.585%0.84675%0.747SS**THydrogen-bonded Turntrans-88.716.3-177.1-47.90000115.2
66A48.9Very low50.5Low81 Ų81133.9 Ų133.967%0.66973%0.729SS**THydrogen-bonded Turntrans-93.9-6.8-170.100000115.6Y64Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.6Å
67F49.1Very low51Low200 Ų200128 Ų12888%0.87771%0.713SS**SBendtrans-131.232.6-170.8-76.1-77.3000114.3
68L55.3Low51.5Low140 Ų140131.5 Ų131.573%0.73371%0.712SS**  trans-114.7130.3167.4-64.4178.3000109.5Y70L68-Y70 PolarHBondContact O-N 3.29Å
69P50.3Low52.1Low130 Ų130129.3 Ų129.384%0.84471%0.707SS**  trans-78.626.1-179.234.9-37.6000113
70Y47.2Very low52.2Low175 Ų175131 Ų13169%0.68670%0.704SS**  trans-97.2119.5-179.4-117.2-110.6000109.8L68 D74L68-Y70 PolarHBondContact O-N 3.29Å; Y70-D74 HydrophobicContact CD1-CB 3.88Å; Y70-D74 HydrophobicContact CE1-CB 3.68Å; Y70-D74 WeakPolarHBondContact CE1-OD2 3.49Å
71T57.7Low52.4Low99 Ų99127.5 Ų127.561%0.60770%0.698SS**  trans-77.1153.5-178.965.80000110.6A73 D74T71-A73 PolarHBondContact O-N 3.12Å; T71-D74 PolarHBondContact O-N 3.46Å
72S56.5Low52.3Low111 Ų111126.9 Ų126.978%0.77670%0.699SS**Hα-helixtrans-61.9-15.5-177.648.40000114.5A76S72-A76 PolarHBondContact O-N 3.31Å
73A57.4Low52.1Low67 Ų67123.1 Ų123.155%0.55469%0.692SS**Hα-helixtrans-65.2-39.1177.800000113.1T71 L75 A76 L77T71-A73 PolarHBondContact O-N 3.12Å; A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.46Å; A73-A76 WeakPolarHBondContact O-CB 3.37Å; A73-A76 PolarHBondContact O-N 3.44Å; A73-L77 PolarHBondContact O-N 3.13Å
74D55.4Low52Low73 Ų73123.3 Ų123.339%0.3969%0.688SS.*Hα-helixtrans-70.4-32.2-177.3-119.2-33000112Y70 T71 A76 L77 F78Y70-D74 HydrophobicContact CD1-CB 3.88Å; Y70-D74 HydrophobicContact CE1-CB 3.68Å; Y70-D74 WeakPolarHBondContact CE1-OD2 3.49Å; T71-D74 PolarHBondContact O-N 3.46Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.41Å; D74-L77 PolarHBondContact O-N 3.23Å; D74-F78 PolarHBondContact O-N 2.87Å
75L56.6Low51.7Low125 Ų125123.5 Ų123.565%0.65469%0.689SS**Hα-helixtrans-70.5-27.6176.2-165.864.1000112.4A73 S79A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.41Å
76A56.4Low51.2Low63 Ų63125.2 Ų125.252%0.52168%0.684SS.*Hα-helixtrans-69.6-40.9171.400000111.3S72 A73 D74 F78 S79 Q80S72-A76 PolarHBondContact O-N 3.31Å; A73-A76 WeakPolarHBondContact O-CB 3.37Å; A73-A76 PolarHBondContact O-N 3.44Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.41Å; A76-F78 VanDerWaalsContact C-N 3.34Å; A76-F78 PolarHBondContact O-N 3.3Å; A76-S79 WeakPolarHBondContact O-CB 3.32Å; A76-S79 PolarHBondContact O-N 3.5Å; A76-Q80 PolarHBondContact O-N 3.33Å
77L56Low51.5Low108 Ų108129.2 Ų129.257%0.56569%0.693SS**Hα-helixtrans-62.8-40.1174.8-177.460000111.9A73 D74 S79 Q80A73-L77 PolarHBondContact O-N 3.13Å; D74-L77 PolarHBondContact O-N 3.23Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.42Å; L77-Q80 WeakPolarHBondContact O-CB 3.36Å; L77-Q80 PolarHBondContact O-N 2.95Å
78F52.9Low51.2Low161 Ų161127.6 Ų127.671%0.70669%0.685SS**Hα-helixtrans-61.5-36.1174.4-165.6-100.2000112.7D74 A76 M81D74-F78 PolarHBondContact O-N 2.87Å; A76-F78 VanDerWaalsContact C-N 3.34Å; A76-F78 PolarHBondContact O-N 3.3Å; F78-M81 PolarHBondContact O-N 2.58Å
79S53.8Low50.4Low87 Ų87127.9 Ų127.961%0.60869%0.688SS**Hα-helixtrans-69.2-34178.1-58.40000112.7L75 A76 L77 M81 G82L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.41Å; A76-S79 WeakPolarHBondContact O-CB 3.32Å; A76-S79 PolarHBondContact O-N 3.5Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.42Å; S79-M81 PolarHBondContact O-N 3.01Å; S79-G82 PolarHBondContact O-N 3.4Å
80Q52Low49.7Very low154 Ų154127.2 Ų127.272%0.7269%0.686SS**Hα-helixtrans-63.3-25.2178-165.469.312.800112.9A76 L77A76-Q80 PolarHBondContact O-N 3.33Å; L77-Q80 WeakPolarHBondContact O-CB 3.36Å; L77-Q80 PolarHBondContact O-N 2.95Å
81M49.2Very low49.8Very low148 Ų148125.3 Ų125.373%0.72970%0.695SS**THydrogen-bonded Turntrans-87.2-3.4-179.1-63.1-70.9-7700113.7F78 S79 S83F78-M81 PolarHBondContact O-N 2.58Å; S79-M81 PolarHBondContact O-N 3.01Å; M81-S83 VanDerWaalsContact C-N 3.33Å; M81-S83 PolarHBondContact O-N 2.89Å
82G50.4Low48.9Very low64 Ų64123.9 Ų123.966%0.6670%0.7SS**  trans-76.2-5.4-170.600000116.8S79S79-G82 PolarHBondContact O-N 3.4Å
83S46.6Very low48.5Very low95 Ų95125.2 Ų125.266%0.66470%0.703SS**  trans-98.425.9-168.557.10000115.2M81M81-S83 VanDerWaalsContact C-N 3.33Å; M81-S83 PolarHBondContact O-N 2.89Å
84Q45.8Very low47.9Very low158 Ų158131 Ų13174%0.73872%0.718SS**  trans-124.445-178-74.3-65.4-83.400114.5
85Y39.3Very low47.4Very low233 Ų233133 Ų13391%0.91474%0.735SS**  trans-136.358.1162.1-76-77000111.3L87Y85-L87 PolarHBondContact O-N 2.82Å
86E39.1Very low47.1Very low158 Ų158132.2 Ų132.274%0.73875%0.746SS**  trans-70.9121.7158.2-170.8-174141.900108.2K88E86-K88 PolarHBondContact O-N 2.95Å
87L54.7Low46.7Very low165 Ų165135.2 Ų135.286%0.86476%0.758SS**  trans-77105.5-177.3-167.574.5000110Y85Y85-L87 PolarHBondContact O-N 2.82Å
88K42.6Very low46.1Very low166 Ų166138.7 Ų138.772%0.72277%0.769SS**  trans-137.1107.8-176.8-157.974.8168.6-158.60113.5E86 S90E86-K88 PolarHBondContact O-N 2.95Å; K88-S90 PolarHBondContact O-N 3.29Å
89D37.9Very low45.8Very low146 Ų146136.4 Ų136.478%0.78178%0.78SS**  trans-69.1115.2173.9-58.3-99.9000112.7
90S35.5Very low45.3Very low116 Ų116134.4 Ų134.481%0.81177%0.769SS**  trans-175.9147140.9-83.20000112K88K88-S90 PolarHBondContact O-N 3.29Å
91P50.9Low44.9Very low135 Ų135135.8 Ų135.888%0.87778%0.775SS**  trans-91.4129.6-17734.1-32.8000113.3
92G38.6Very low44.7Very low68 Ų68135.3 Ų135.370%0.70178%0.781SS**  trans172.5111.7168.100000116.3
93V46.8Very low44.4Very low140 Ų140136.9 Ų136.985%0.84878%0.782SS**  trans47.298.5153.6-168.90000117.5
94H44.8Very low44.5Very low189 Ų189138.6 Ų138.688%0.87579%0.79SS**  trans-82.9132157.1-66.8-69.8000110.6
95P45.9Very low44.6Very low114 Ų114134.1 Ų134.174%0.7478%0.781SS**  trans-76136.1172.930.8-33.5000111.4T97P95-T97 PolarHBondContact O-N 3.4Å
96A50Low45.1Very low108 Ų108132.2 Ų132.289%0.89378%0.777SS**  trans-81.178.5-178.600000112.6
97T48.3Very low45.8Very low126 Ų126133.3 Ų133.377%0.77378%0.776SS**  trans-144.690.1173.7-73.80000111.6P95P95-T97 PolarHBondContact O-N 3.4Å
98F43.2Very low45.8Very low181 Ų181130.6 Ų130.679%0.79477%0.768SS**  -169.264.8129.6-153.9-104.9000111.4A100F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 HydrophobicContact CD1-CB 4.01Å; F98-A100 HydrophobicContact CE1-CB 3.63Å; F98-A100 HydrophobicContact CZ-CB 3.99Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.08Å
99A47.2Very low46.2Very low113 Ų113133 Ų13393%0.93477%0.774SS**  trans-83.773.9177.600000111.2
100A42.2Very low46.7Very low46 Ų46129 Ų12938%0.3877%0.768SS.*  trans-132.4103.6-176.700000112.9F98 T102F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 HydrophobicContact CD1-CB 4.01Å; F98-A100 HydrophobicContact CE1-CB 3.63Å; F98-A100 HydrophobicContact CZ-CB 3.99Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.08Å; A100-T102 PolarHBondContact O-N 3.35Å
101H43.9Very low47.2Very low183 Ų183131.3 Ų131.385%0.84777%0.766SS**  trans52.260.3152-44-65000118.5
102T45.5Very low47Very low138 Ų138132.9 Ų132.985%0.84776%0.759SS**  trans-83.2111.6146.6-178.40000108.9A100A100-T102 PolarHBondContact O-N 3.35Å
103S42.9Very low47.4Very low96 Ų96137 Ų13767%0.67176%0.76SS**  trans-67.3137.2175.2-69.40000110A105S103-A105 PolarHBondContact O-N 3.26Å
104P50.3Low47.4Very low131 Ų131139.7 Ų139.785%0.85176%0.757SS**  trans-61.4100.9170.8-20.933000110F106P104-F106 PolarHBondContact O-N 3.48Å; P104-F106 VanDerWaalsContact O-N 3.12Å
105A47.7Very low47.5Very low65 Ų65133.9 Ų133.954%0.53775%0.747SS.*  trans-63.4115.2174.700000108.5S103 Y107S103-A105 PolarHBondContact O-N 3.26Å; A105-Y107 HydrophobicContact CB-CD2 3.68Å; A105-Y107 HydrophobicContact CB-CE2 3.45Å; A105-Y107 VanDerWaalsContact CB-CE2 3.45Å; A105-Y107 PolarHBondContact O-N 2.91Å
106F48.9Very low47.5Very low192 Ų192132.9 Ų132.984%0.84274%0.736SS**  trans-71.278.4-178.3-176.6-98.9000110.2P104 P108P104-F106 PolarHBondContact O-N 3.48Å; P104-F106 VanDerWaalsContact O-N 3.12Å; F106-P108 WeakPolarHBondContact O-CD 3.17Å
107Y54.3Low47.9Very low181 Ų181133.9 Ų133.971%0.7173%0.733SS**  trans-89.6103.2171.4-74.5-72.6000109.2A105 Y109 G110A105-Y107 HydrophobicContact CB-CD2 3.68Å; A105-Y107 HydrophobicContact CB-CE2 3.45Å; A105-Y107 VanDerWaalsContact CB-CE2 3.45Å; A105-Y107 PolarHBondContact O-N 2.91Å; Y107-Y109 PolarHBondContact O-N 3.05Å; Y107-G110 PolarHBondContact O-N 3.44Å
108P54.8Low48.2Very low108 Ų108131.9 Ų131.970%0.70173%0.729SS**THydrogen-bonded Turntrans-66.71.8-176.527.8-36.5000114.8F106F106-P108 WeakPolarHBondContact O-CD 3.17Å
109Y49.9Very low48.8Very low216 Ų216130.6 Ų130.685%0.84772%0.719SS**THydrogen-bonded Turntrans-113.7-6.1175.8-98.7-92.3000114.6Y107Y107-Y109 PolarHBondContact O-N 3.05Å
110G49.9Very low49.1Very low62 Ų62130.2 Ų130.264%0.63971%0.707SS**THydrogen-bonded Turntrans-83.7-26.6-172.700000115.3Y107 F112Y107-G110 PolarHBondContact O-N 3.44Å; G110-F112 PolarHBondContact O-N 3.39Å
111Q44.7Very low50.2Low166 Ų166133.2 Ų133.278%0.77671%0.712SS**  trans-104.952.5-159.2-156.4171.1-85.900114.7Q113Q111-Q113 PolarHBondContact O-N 3.14Å
112F46.3Very low50.9Low168 Ų168130.9 Ų130.974%0.73771%0.705SS**  trans-65.8126.6159.1-85.9-87.1000109.4G110 Y114G110-F112 PolarHBondContact O-N 3.39Å; F112-Y114 PolarHBondContact O-N 3.02Å
113Q46.9Very low52Low155 Ų155126.8 Ų126.872%0.72469%0.686SS**  trans-63.189.9176.8-7682.80.500112.5Q111 G115Q111-Q113 PolarHBondContact O-N 3.14Å; Q113-G115 PolarHBondContact O-N 2.84Å; Q113-G115 VanDerWaalsContact O-N 3.11Å
114Y47.3Very low53.7Low196 Ų196126.3 Ų126.377%0.76968%0.679SS**THydrogen-bonded Turntrans-80.663.5158.6-89.8-90.4000109.8F112 K121F112-Y114 PolarHBondContact O-N 3.02Å; Y114-K121 HydrophobicContact CD1-CD 4.4Å; Y114-K121 HydrophobicContact CE1-CD 3.79Å
115G47.7Very low55.2Low66 Ų66129.3 Ų129.368%0.6867%0.673SS**THydrogen-bonded Turntrans-140.93.6-175.600000115.5Q113 P117Q113-G115 PolarHBondContact O-N 2.84Å; Q113-G115 VanDerWaalsContact O-N 3.11Å; G115-P117 WeakPolarHBondContact O-CD 3.21Å
116D44.9Very low57Low94 Ų94131.2 Ų131.250%0.50367%0.671SS.*  trans-99.5107.4174.4176.323.5000111.1A118D116-A118 VanDerWaalsContact C-N 3.3Å; D116-A118 WeakPolarHBondContact OD1-CA 3.34Å; D116-A118 WeakPolarHBondContact OD1-CB 3.33Å; D116-A118 PolarHBondContact OD1-N 3.29Å
117P59.2Low59Low128 Ų128122.4 Ų122.483%0.83163%0.633SS**THydrogen-bonded Turntrans-77.2-11.9174.532.9-35.4000113.5G115 R119G115-P117 WeakPolarHBondContact O-CD 3.21Å; P117-R119 PolarHBondContact O-N 2.96Å
118A54.9Low60.8Low84 Ų84115.2 Ų115.269%0.69461%0.608SS**THydrogen-bonded Turntrans-75.4-9.5-179.600000113.4D116 P120D116-A118 VanDerWaalsContact C-N 3.3Å; D116-A118 WeakPolarHBondContact OD1-CA 3.34Å; D116-A118 WeakPolarHBondContact OD1-CB 3.33Å; D116-A118 PolarHBondContact OD1-N 3.29Å; A118-P120 WeakPolarHBondContact O-CD 3.38Å
119R54.7Low62.8Low154 Ų154113 Ų11358%0.58160%0.596SS**SBendtrans-111.696.8178.4-162.8-173.7-162.5-641.6112.3P117 K121P117-R119 PolarHBondContact O-N 2.96Å; R119-K121 PolarHBondContact O-N 3.37Å; R119-K121 VanDerWaalsContact O-N 3.14Å
120P54.6Low65Low106 Ų106104.8 Ų104.869%0.68857%0.567SS**  trans-54.8119.7171.9-25.734.5000111.5A118A118-P120 WeakPolarHBondContact O-CD 3.38Å
121K64Low67.2Low109 Ų109101.8 Ų101.847%0.47454%0.537SS..  trans-101.79.2176.8-63.9-173.8-174177.70112.5Y114 R119Y114-K121 HydrophobicContact CD1-CD 4.4Å; Y114-K121 HydrophobicContact CE1-CD 3.79Å; R119-K121 PolarHBondContact O-N 3.37Å; R119-K121 VanDerWaalsContact O-N 3.14Å
122N59.5Low69.7Low133 Ų13399.9 Ų99.971%0.71153%0.526SS*.SBendtrans-124.4124.1-172.6-39.882.2000108.4
123A67.8Low72Confident52 Ų5294.9 Ų94.943%0.4352%0.515SS..  trans-62.3138.3165.500000108.4M158A123-M158 HydrophobicContact CB-CE 4.34Å; A123-M158 HydrophobicContact CB-SD 3.99Å
124T79.3Confident74.4Confident86 Ų8688 Ų8853%0.52848%0.483SS..  trans-68.9156.7-178.368.50000110.1E126 S127 T128T124-E126 PolarHBondContact O-N 3.39Å; T124-S127 PolarHBondContact N-OG 2.98Å; T124-S127 PolarHBondContact O-N 3.21Å; T124-S127 PolarHBondContact O-OG 3.41Å; T124-S127 VanDerWaalsContact OG1-CB 3.31Å; T124-S127 WeakPolarHBondContact OG1-CB 3.46Å; T124-S127 PolarHBondContact OG1-N 3.36Å; T124-S127 PolarHBondContact OG1-OG 3.24Å; T124-T128 WeakPolarHBondContact O-CB 3.43Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 PolarHBondContact O-OG1 3.47Å
125R82.8Confident76.8Confident194 Ų19479.7 Ų79.773%0.73245%0.452SS*.Hα-helixtrans-55.5-41.3175.9-177.9-176.3172.9-80.34.6110.9T128 S129R125-T128 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-N 2.96Å
126E84.2Confident79Confident106 Ų10682.2 Ų82.250%0.49545%0.45SS..Hα-helixtrans-74-40-178.5-49.5-39.5116.800112.3T124 T128 S129 T130T124-E126 PolarHBondContact O-N 3.39Å; E126-T128 VanDerWaalsContact C-N 3.26Å; E126-T128 PolarHBondContact O-N 3.33Å; E126-S129 WeakPolarHBondContact O-CA 3.44Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.09Å; E126-T130 PolarHBondContact O-N 3.3Å; E126-T130 PolarHBondContact O-OG1 2.71Å
127S90.9Very high81.4Confident7 Ų784.5 Ų84.55%0.04946%0.457CS..Hα-helixtrans-62.7-37.1173.682.70000111.6T124 S129 L131 T156T124-S127 PolarHBondContact N-OG 2.98Å; T124-S127 PolarHBondContact O-N 3.21Å; T124-S127 PolarHBondContact O-OG 3.41Å; T124-S127 VanDerWaalsContact OG1-CB 3.31Å; T124-S127 WeakPolarHBondContact OG1-CB 3.46Å; T124-S127 PolarHBondContact OG1-N 3.36Å; T124-S127 PolarHBondContact OG1-OG 3.24Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.25Å; S127-L131 PolarHBondContact O-N 3.32Å; S127-T156 WeakPolarHBondContact CB-O 3.48Å; S127-T156 WeakPolarHBondContact O-CG2 3.27Å
128T92.8Very high83.1Confident30 Ų3081.1 Ų81.118%0.18443%0.43CS..Hα-helixtrans-70.3-23.8173.5-47.80000112.3T124 R125 E126 K132 W166T124-T128 WeakPolarHBondContact O-CB 3.43Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 PolarHBondContact O-OG1 3.47Å; R125-T128 PolarHBondContact O-N 3.07Å; E126-T128 VanDerWaalsContact C-N 3.26Å; E126-T128 PolarHBondContact O-N 3.33Å; T128-K132 HydrophobicContact CG2-CD 4.45Å; T128-K132 WeakPolarHBondContact O-CB 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.26Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.17Å; T128-W166 HydrophobicContact CG2-CZ2 4.12Å
129S96.1Very high84.9Confident62 Ų6280.7 Ų80.743%0.43441%0.411SS..Hα-helixtrans-68.4-48.7175.7-1590000111R125 E126 S127 L131 K132 A133R125-S129 PolarHBondContact O-N 2.96Å; E126-S129 WeakPolarHBondContact O-CA 3.44Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.09Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.44Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.32Å; S129-K132 WeakPolarHBondContact O-CB 3.35Å; S129-K132 PolarHBondContact O-N 3.17Å; S129-K132 VanDerWaalsContact O-N 3.13Å; S129-A133 PolarHBondContact O-N 2.78Å
130T96.4Very high86.5Confident42 Ų4282.5 Ų82.526%0.25842%0.423SS..Hα-helixtrans-56.3-46.1175.7-46.80000112E126 K132 A133 W134 L152 I155 T156E126-T130 PolarHBondContact O-N 3.3Å; E126-T130 PolarHBondContact O-OG1 2.71Å; T130-K132 VanDerWaalsContact C-N 3.3Å; T130-K132 PolarHBondContact O-N 3.4Å; T130-A133 PolarHBondContact O-N 2.83Å; T130-W134 PolarHBondContact O-N 3.15Å; T130-W134 VanDerWaalsContact O-N 3.09Å; T130-L152 HydrophobicContact CG2-CD2 3.84Å; T130-I155 HydrophobicContact CG2-CB 4.42Å; T130-I155 HydrophobicContact CG2-CG2 3.77Å; T130-T156 HydrophobicContact CG2-CG2 4.45Å
131L97.1Very high88.3Confident0 Ų083.1 Ų83.10%042%0.42CS..Hα-helixtrans-64.5-33.8179.2-63.5172.1000112.7S127 S129 L135 L152 T156 M158 V163 W166 F167S127-L131 WeakPolarHBondContact O-CG 3.25Å; S127-L131 PolarHBondContact O-N 3.32Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.32Å; L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 PolarHBondContact O-N 3.11Å; L131-L152 HydrophobicContact CD2-CB 4.25Å; L131-L152 HydrophobicContact CD2-CD1 4.42Å; L131-L152 HydrophobicContact CD2-CD2 4.5Å; L131-T156 HydrophobicContact CD1-CG2 4.33Å; L131-T156 HydrophobicContact CD2-CG2 3.99Å; L131-T156 HydrophobicContact CG-CG2 3.84Å; L131-M158 HydrophobicContact CD1-CE 4.06Å; L131-M158 HydrophobicContact CD1-SD 3.91Å; L131-V163 HydrophobicContact CD2-CG1 4.09Å; L131-W166 HydrophobicContact CB-CD2 4.08Å; L131-W166 HydrophobicContact CB-CE3 3.87Å; L131-W166 HydrophobicContact CB-CH2 3.67Å; L131-W166 HydrophobicContact CB-CZ2 3.85Å; L131-W166 HydrophobicContact CB-CZ3 3.68Å; L131-W166 HydrophobicContact CD1-CB 4.42Å; L131-W166 HydrophobicContact CD1-CD2 3.79Å; L131-W166 HydrophobicContact CD1-CE3 4.24Å; L131-W166 HydrophobicContact CD1-CG 3.85Å; L131-W166 HydrophobicContact CG-CD2 4.48Å; L131-W166 HydrophobicContact CG-CE3 4.49Å; L131-F167 HydrophobicContact CD2-CE2 3.68Å; L131-F167 HydrophobicContact CD2-CZ 4.11Å
132K95.4Very high89.8Confident126 Ų12678.3 Ų78.355%0.54840%0.4SS..Hα-helixtrans-72.5-38.5173.7-76.2170.9175.5179.10112.6T128 S129 T130 L135 N136 W166T128-K132 HydrophobicContact CG2-CD 4.45Å; T128-K132 WeakPolarHBondContact O-CB 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.26Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.17Å; S129-K132 WeakPolarHBondContact O-CB 3.35Å; S129-K132 PolarHBondContact O-N 3.17Å; S129-K132 VanDerWaalsContact O-N 3.13Å; T130-K132 VanDerWaalsContact C-N 3.3Å; T130-K132 PolarHBondContact O-N 3.4Å; K132-L135 PolarHBondContact O-N 2.9Å; K132-N136 WeakPolarHBondContact O-CB 3.16Å; K132-N136 PolarHBondContact O-N 2.67Å; K132-W166 HydrophobicContact CG-CH2 4.12Å; K132-W166 HydrophobicContact CG-CZ2 4.17Å
133A96.5Very high91.6Very high62 Ų6279.2 Ų79.251%0.51240%0.395SS..Hα-helixtrans-61.7-52.7177.800000110.6S129 T130 L135 N136 E137S129-A133 PolarHBondContact O-N 2.78Å; T130-A133 PolarHBondContact O-N 2.83Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.97Å; A133-N136 WeakPolarHBondContact O-CA 3.39Å; A133-N136 WeakPolarHBondContact O-CB 3.45Å; A133-N136 PolarHBondContact O-N 3.44Å; A133-E137 PolarHBondContact O-N 3.45Å
134W97.4Very high92.9Very high12 Ų1276.9 Ų76.95%0.04538%0.375CS..Hα-helixtrans-57.8-41.2175.8-173.793000112T130 N136 E137 H138 P144 E148 L152 F167T130-W134 PolarHBondContact O-N 3.15Å; T130-W134 VanDerWaalsContact O-N 3.09Å; W134-N136 PolarHBondContact O-N 2.65Å; W134-E137 PolarHBondContact O-N 2.9Å; W134-H138 AromaticContact CD1-CE1 3.87Å; W134-H138 AromaticContact CD1-ND1 3.69Å; W134-H138 HydrophobicContact CD2-CB 4.24Å; W134-H138 AromaticContact CD2-CG 3.96Å; W134-H138 AromaticContact CD2-ND1 3.59Å; W134-H138 AromaticContact CE2-CE1 3.63Å; W134-H138 AromaticContact CE2-CG 3.48Å; W134-H138 VanDerWaalsContact CE2-CG 3.48Å; W134-H138 AromaticContact CE2-ND1 3.21Å; W134-H138 HydrophobicContact CE3-CB 3.95Å; W134-H138 AromaticContact CG-ND1 3.87Å; W134-H138 HydrophobicContact CH2-CB 3.41Å; W134-H138 VanDerWaalsContact CH2-CB 3.41Å; W134-H138 AromaticContact CH2-CD2 3.96Å; W134-H138 AromaticContact CH2-CG 3.5Å; W134-H138 VanDerWaalsContact CH2-CG 3.5Å; W134-H138 HydrophobicContact CZ2-CB 3.74Å; W134-H138 AromaticContact CZ2-CD2 3.5Å; W134-H138 VanDerWaalsContact CZ2-CD2 3.5Å; W134-H138 WeakPolarHBondContact CZ2-CD2 3.31Å; W134-H138 AromaticContact CZ2-CE1 3.9Å; W134-H138 AromaticContact CZ2-CG 3.24Å; W134-H138 AromaticContact CZ2-ND1 3.52Å; W134-H138 AromaticContact CZ2-NE2 3.92Å; W134-H138 HydrophobicContact CZ3-CB 3.55Å; W134-H138 AromaticContact CZ3-CG 3.99Å; W134-H138 AromaticContact NE1-CE1 3.35Å; W134-H138 PolarHBondContact NE1-CE1 2.91Å; W134-H138 VanDerWaalsContact NE1-CE1 3.35Å; W134-H138 AromaticContact NE1-ND1 3.33Å; W134-H138 PolarHBondContact NE1-ND1 2.7Å; W134-H138 WeakPolarHBondContact O-CB 3.43Å; W134-H138 PolarHBondContact O-N 3.14Å; W134-H138 PolarHBondContact O-ND1 3.25Å; W134-H138 VanDerWaalsContact O-ND1 3.16Å; W134-P144 VanDerWaalsContact CH2-CA 3.46Å; W134-P144 HydrophobicContact CH2-CB 3.63Å; W134-P144 VanDerWaalsContact CH2-CD 3.47Å; W134-P144 HydrophobicContact CH2-CG 4.07Å; W134-P144 VanDerWaalsContact CH2-N 3.29Å; W134-P144 VanDerWaalsContact CZ2-CA 3.44Å; W134-P144 HydrophobicContact CZ2-CB 3.54Å; W134-P144 HydrophobicContact CZ2-CG 4.44Å; W134-P144 HydrophobicContact CZ3-CB 4.13Å; W134-P144 HydrophobicContact CZ3-CG 4.19Å; W134-E148 VanDerWaalsContact CE2-OE1 3.29Å; W134-E148 WeakPolarHBondContact CZ2-OE1 3.4Å; W134-E148 PolarHBondContact NE1-OE1 3Å; W134-L152 HydrophobicContact CB-CD1 4.31Å; W134-L152 HydrophobicContact CB-CD2 4.17Å; W134-L152 HydrophobicContact CD2-CD1 4.15Å; W134-L152 HydrophobicContact CG-CD1 3.89Å; W134-L152 HydrophobicContact CG-CD2 4.4Å; W134-F167 HydrophobicContact CD2-CE1 4.41Å; W134-F167 HydrophobicContact CD2-CZ 4.13Å; W134-F167 HydrophobicContact CE3-CD1 4.36Å; W134-F167 AromaticContact CE3-CE1 3.33Å; W134-F167 HydrophobicContact CE3-CE1 3.33Å; W134-F167 AromaticContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CE3-CZ 3.45Å; W134-F167 VanDerWaalsContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CZ3-CD1 4.24Å; W134-F167 AromaticContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CZ 4.06Å
135L96.1Very high93.8Very high21 Ų2176.7 Ų76.711%0.1137%0.374CS..Hα-helixtrans-67.5-22.6176.4-173.962.4000113.6L131 K132 A133 R139 P142 W166 F167 A170 L174L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 PolarHBondContact O-N 3.11Å; K132-L135 PolarHBondContact O-N 2.9Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.97Å; L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.28Å; L135-P142 HydrophobicContact CD1-CB 3.78Å; L135-W166 HydrophobicContact CD2-CH2 4.1Å; L135-W166 HydrophobicContact CD2-CZ3 4.05Å; L135-F167 HydrophobicContact CB-CE1 4.17Å; L135-F167 HydrophobicContact CD1-CD1 4.39Å; L135-F167 HydrophobicContact CD1-CE1 4.23Å; L135-A170 HydrophobicContact CD2-CB 3.79Å; L135-L174 HydrophobicContact CD1-CD2 4.22Å; L135-L174 HydrophobicContact CG-CD2 4.49Å
136N94Very high94.6Very high119 Ų11976.1 Ų76.164%0.63638%0.377SS*.Hα-helixtrans-88.3-22.4176.7-168.678.3000113.2K132 A133 W134 R139K132-N136 WeakPolarHBondContact O-CB 3.16Å; K132-N136 PolarHBondContact O-N 2.67Å; A133-N136 WeakPolarHBondContact O-CA 3.39Å; A133-N136 WeakPolarHBondContact O-CB 3.45Å; A133-N136 PolarHBondContact O-N 3.44Å; W134-N136 PolarHBondContact O-N 2.65Å; N136-R139 VanDerWaalsContact C-CG 3.48Å; N136-R139 WeakPolarHBondContact O-CG 3.22Å
137E96.2Very high95.2Very high142 Ų14273.3 Ų73.366%0.66438%0.376SS*.Hα-helixtrans-75.6-51.5166.2-177.3176.2-151.200109.8A133 W134 R139A133-E137 PolarHBondContact O-N 3.45Å; W134-E137 PolarHBondContact O-N 2.9Å; E137-R139 PolarHBondContact O-N 3.14Å
138H94.4Very high95.6Very high56 Ų5674.8 Ų74.826%0.25938%0.382SS..  trans-83.950-176.1-66.879.7000112.9W134 K140 N141 P142 E148W134-H138 AromaticContact CD1-CE1 3.87Å; W134-H138 AromaticContact CD1-ND1 3.69Å; W134-H138 HydrophobicContact CD2-CB 4.24Å; W134-H138 AromaticContact CD2-CG 3.96Å; W134-H138 AromaticContact CD2-ND1 3.59Å; W134-H138 AromaticContact CE2-CE1 3.63Å; W134-H138 AromaticContact CE2-CG 3.48Å; W134-H138 VanDerWaalsContact CE2-CG 3.48Å; W134-H138 AromaticContact CE2-ND1 3.21Å; W134-H138 HydrophobicContact CE3-CB 3.95Å; W134-H138 AromaticContact CG-ND1 3.87Å; W134-H138 HydrophobicContact CH2-CB 3.41Å; W134-H138 VanDerWaalsContact CH2-CB 3.41Å; W134-H138 AromaticContact CH2-CD2 3.96Å; W134-H138 AromaticContact CH2-CG 3.5Å; W134-H138 VanDerWaalsContact CH2-CG 3.5Å; W134-H138 HydrophobicContact CZ2-CB 3.74Å; W134-H138 AromaticContact CZ2-CD2 3.5Å; W134-H138 VanDerWaalsContact CZ2-CD2 3.5Å; W134-H138 WeakPolarHBondContact CZ2-CD2 3.31Å; W134-H138 AromaticContact CZ2-CE1 3.9Å; W134-H138 AromaticContact CZ2-CG 3.24Å; W134-H138 AromaticContact CZ2-ND1 3.52Å; W134-H138 AromaticContact CZ2-NE2 3.92Å; W134-H138 HydrophobicContact CZ3-CB 3.55Å; W134-H138 AromaticContact CZ3-CG 3.99Å; W134-H138 AromaticContact NE1-CE1 3.35Å; W134-H138 PolarHBondContact NE1-CE1 2.91Å; W134-H138 VanDerWaalsContact NE1-CE1 3.35Å; W134-H138 AromaticContact NE1-ND1 3.33Å; W134-H138 PolarHBondContact NE1-ND1 2.7Å; W134-H138 WeakPolarHBondContact O-CB 3.43Å; W134-H138 PolarHBondContact O-N 3.14Å; W134-H138 PolarHBondContact O-ND1 3.25Å; W134-H138 VanDerWaalsContact O-ND1 3.16Å; H138-K140 VanDerWaalsContact C-N 3.29Å; H138-K140 PolarHBondContact O-N 2.72Å; H138-N141 CarbonylContact O-C 3.49Å; H138-P142 WeakPolarHBondContact O-CA 3.44Å; H138-E148 IonicContact CE1-OE1 3.64Å; H138-E148 IonicContact NE2-OE1 3.76Å
139R92.3Very high95.8Very high75 Ų7576.2 Ų76.228%0.28339%0.386SS..SBendtrans-82.71.9179.1-65-79.5-82.5156.64.4114L135 N136 E137 K179 V180 W182L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.28Å; N136-R139 VanDerWaalsContact C-CG 3.48Å; N136-R139 WeakPolarHBondContact O-CG 3.22Å; E137-R139 PolarHBondContact O-N 3.14Å; R139-K179 PolarHBondContact NH2-O 3.11Å; R139-V180 VanDerWaalsContact CZ-CG1 3.47Å; R139-W182 WeakPolarHBondContact O-CH2 3.46Å; R139-W182 WeakPolarHBondContact O-CZ3 3.33Å
140K89.1Confident95.9Very high192 Ų19277.2 Ų77.284%0.83539%0.386SS*.SBendtrans-114.6-22.6172.2-71.1-171.2178.7-1770114.8H138H138-K140 VanDerWaalsContact C-N 3.29Å; H138-K140 PolarHBondContact O-N 2.72Å
141N91.4Very high96Very high120 Ų12079.8 Ų79.864%0.64240%0.396SS*.  trans-147106161.2-90.9-43.7000111.3H138 Y143H138-N141 CarbonylContact O-C 3.49Å; N141-Y143 PolarHBondContact O-N 3.23Å
142P95.4Very high96Very high7 Ų780 Ų805%0.04540%0.397CS..  trans-90.136.6-168.733.7-26.3000112.2L135 H138 P144 R171 W182L135-P142 HydrophobicContact CD1-CB 3.78Å; H138-P142 WeakPolarHBondContact O-CA 3.44Å; P142-P144 WeakPolarHBondContact O-CD 3.29Å; P142-R171 HydrophobicContact CB-CG 4.02Å; P142-R171 HydrophobicContact CG-CG 3.9Å; P142-R171 WeakPolarHBondContact O-CD 3.25Å; P142-R171 PolarHBondContact O-NH1 3.26Å; P142-W182 HydrophobicContact CB-CH2 3.65Å; P142-W182 HydrophobicContact CB-CZ2 4.13Å; P142-W182 HydrophobicContact CB-CZ3 4.34Å; P142-W182 HydrophobicContact CG-CE3 4.35Å; P142-W182 HydrophobicContact CG-CH2 3.37Å; P142-W182 HydrophobicContact CG-CZ2 3.74Å; P142-W182 HydrophobicContact CG-CZ3 3.7Å
143Y97.4Very high96.1Very high153 Ų15374.7 Ų74.760%0.638%0.377SS*.  trans-116.589.9-175.1-70.9-98.9000109.5N141 T145 R171N141-Y143 PolarHBondContact O-N 3.23Å; Y143-T145 PolarHBondContact O-N 3.35Å; Y143-R171 VanDerWaalsContact CD1-CZ 3.48Å; Y143-R171 VanDerWaalsContact CE1-CZ 3.46Å
144P96.8Very high96.1Very high3 Ų377.5 Ų77.52%0.01938%0.382CS..  trans-62.2137.6-178.722.7-31.4000110.5W134 P142 E148 K149 F167W134-P144 VanDerWaalsContact CH2-CA 3.46Å; W134-P144 HydrophobicContact CH2-CB 3.63Å; W134-P144 VanDerWaalsContact CH2-CD 3.47Å; W134-P144 HydrophobicContact CH2-CG 4.07Å; W134-P144 VanDerWaalsContact CH2-N 3.29Å; W134-P144 VanDerWaalsContact CZ2-CA 3.44Å; W134-P144 HydrophobicContact CZ2-CB 3.54Å; W134-P144 HydrophobicContact CZ2-CG 4.44Å; W134-P144 HydrophobicContact CZ3-CB 4.13Å; W134-P144 HydrophobicContact CZ3-CG 4.19Å; P142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-E148 HydrophobicContact CB-CB 4Å; P144-K149 HydrophobicContact CB-CG 4Å; P144-K149 HydrophobicContact CG-CG 3.88Å; P144-K149 WeakPolarHBondContact O-CE 3.27Å; P144-K149 PolarHBondContact O-NZ 3.21Å; P144-F167 HydrophobicContact CG-CD1 4.39Å; P144-F167 HydrophobicContact CG-CD2 3.81Å; P144-F167 HydrophobicContact CG-CE2 3.99Å; P144-F167 HydrophobicContact CG-CG 4.02Å; P144-F167 HydrophobicContact CG-CZ 4.38Å
145T98.1Very high96.1Very high82 Ų8281.5 Ų81.550%0.50340%0.403SS..  trans-63.6176.217860.40000112.5Y143 G147 E148 K149Y143-T145 PolarHBondContact O-N 3.35Å; T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 3.33Å; T145-E148 VanDerWaalsContact CB-OE2 3.29Å; T145-E148 WeakPolarHBondContact CB-OE2 3.46Å; T145-E148 VanDerWaalsContact CG2-OE2 3.27Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.31Å; T145-E148 PolarHBondContact N-OE2 3.31Å; T145-E148 VanDerWaalsContact OG1-CG 3.28Å; T145-E148 WeakPolarHBondContact OG1-CG 3.41Å; T145-E148 PolarHBondContact OG1-N 2.87Å; T145-E148 PolarHBondContact OG1-OE2 3.21Å; T145-K149 VanDerWaalsContact O-CG 3.29Å; T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 3.38Å; T145-K149 VanDerWaalsContact O-N 3.11Å
146K97.8Very high96.1Very high181 Ų18180.9 Ų80.979%0.78740%0.4SS*.Hα-helixtrans-58.7-44.8175.4-169177.4179.9-177.60111.2I150K146-I150 WeakPolarHBondContact O-CD1 3.38Å; K146-I150 WeakPolarHBondContact O-CG1 3.49Å; K146-I150 PolarHBondContact O-N 3.33Å
147G98.2Very high96.2Very high47 Ų4784.7 Ų84.749%0.48541%0.411SS..Hα-helixtrans-66.5-48.2178.300000113.2T145 K149 I150 M151T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 3.33Å; G147-K149 VanDerWaalsContact C-N 3.35Å; G147-K149 PolarHBondContact O-N 3.16Å; G147-I150 WeakPolarHBondContact O-CB 3.34Å; G147-I150 PolarHBondContact O-N 2.96Å; G147-M151 PolarHBondContact O-N 2.9Å
148E98Very high96.1Very high38 Ų3879 Ų7918%0.17839%0.385CS..Hα-helixtrans-64-38.1-179.3-67.8166.8109.900112.8W134 H138 P144 T145 I150 M151 L152W134-E148 VanDerWaalsContact CE2-OE1 3.29Å; W134-E148 WeakPolarHBondContact CZ2-OE1 3.4Å; W134-E148 PolarHBondContact NE1-OE1 3Å; H138-E148 IonicContact CE1-OE1 3.64Å; H138-E148 IonicContact NE2-OE1 3.76Å; P144-E148 HydrophobicContact CB-CB 4Å; T145-E148 VanDerWaalsContact CB-OE2 3.29Å; T145-E148 WeakPolarHBondContact CB-OE2 3.46Å; T145-E148 VanDerWaalsContact CG2-OE2 3.27Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.31Å; T145-E148 PolarHBondContact N-OE2 3.31Å; T145-E148 VanDerWaalsContact OG1-CG 3.28Å; T145-E148 WeakPolarHBondContact OG1-CG 3.41Å; T145-E148 PolarHBondContact OG1-N 2.87Å; T145-E148 PolarHBondContact OG1-OE2 3.21Å; E148-I150 PolarHBondContact O-N 2.86Å; E148-M151 PolarHBondContact O-N 3.3Å; E148-L152 VanDerWaalsContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 VanDerWaalsContact O-CG 3.22Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 2.97Å
149K97.7Very high96.3Very high60 Ų6080 Ų8026%0.26140%0.395SS..Hα-helixtrans-59.9-35.1173.9-72-174.9-16784.30112.1P144 T145 G147 A153 L160P144-K149 HydrophobicContact CB-CG 4Å; P144-K149 HydrophobicContact CG-CG 3.88Å; P144-K149 WeakPolarHBondContact O-CE 3.27Å; P144-K149 PolarHBondContact O-NZ 3.21Å; T145-K149 VanDerWaalsContact O-CG 3.29Å; T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 3.38Å; T145-K149 VanDerWaalsContact O-N 3.11Å; G147-K149 VanDerWaalsContact C-N 3.35Å; G147-K149 PolarHBondContact O-N 3.16Å; K149-A153 VanDerWaalsContact O-CB 3.25Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.04Å; K149-L160 HydrophobicContact CB-CD1 3.52Å; K149-L160 HydrophobicContact CD-CD1 4.16Å; K149-L160 HydrophobicContact CG-CD1 4.45Å
150I97.8Very high96.5Very high83 Ų8380.8 Ų80.843%0.42640%0.404SS..Hα-helixtrans-72.6-48.5176.2-65.6165000110.4K146 G147 E148 L152 A153 I154K146-I150 WeakPolarHBondContact O-CD1 3.38Å; K146-I150 WeakPolarHBondContact O-CG1 3.49Å; K146-I150 PolarHBondContact O-N 3.33Å; G147-I150 WeakPolarHBondContact O-CB 3.34Å; G147-I150 PolarHBondContact O-N 2.96Å; E148-I150 PolarHBondContact O-N 2.86Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 3.13Å; I150-A153 WeakPolarHBondContact O-CB 3.5Å; I150-A153 PolarHBondContact O-N 3Å; I150-A153 VanDerWaalsContact O-N 3.14Å; I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 3.2Å
151M98.2Very high96.9Very high97 Ų9776.4 Ų76.448%0.47839%0.394SS..Hα-helixtrans-56.3-47.1176.2-179.3176.568.900111.7G147 E148 I154 I155G147-M151 PolarHBondContact O-N 2.9Å; E148-M151 PolarHBondContact O-N 3.3Å; M151-I154 PolarHBondContact O-N 2.87Å; M151-I155 HydrophobicContact CG-CD1 3.79Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.78Å
152L97.9Very high97.1Very high4 Ų475 Ų752%0.02138%0.383CS..Hα-helixtrans-64-42.4176.2-68.9170.8000111.3T130 L131 W134 E148 I150 I154 I155 T156 V163 F167T130-L152 HydrophobicContact CG2-CD2 3.84Å; L131-L152 HydrophobicContact CD2-CB 4.25Å; L131-L152 HydrophobicContact CD2-CD1 4.42Å; L131-L152 HydrophobicContact CD2-CD2 4.5Å; W134-L152 HydrophobicContact CB-CD1 4.31Å; W134-L152 HydrophobicContact CB-CD2 4.17Å; W134-L152 HydrophobicContact CD2-CD1 4.15Å; W134-L152 HydrophobicContact CG-CD1 3.89Å; W134-L152 HydrophobicContact CG-CD2 4.4Å; E148-L152 VanDerWaalsContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 VanDerWaalsContact O-CG 3.22Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 2.97Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 3.13Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.47Å; L152-I155 PolarHBondContact O-N 3.46Å; L152-T156 WeakPolarHBondContact O-CB 3.47Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 3Å; L152-V163 HydrophobicContact CB-CG1 4.21Å; L152-F167 HydrophobicContact CD1-CE2 3.74Å; L152-F167 HydrophobicContact CD1-CZ 3.92Å
153A97.3Very high97.2Very high15 Ų1574.6 Ų74.612%0.12438%0.381CS..Hα-helixtrans-57.9-43.4175.100000112.4K149 I150 T156 K157 M158 V163K149-A153 VanDerWaalsContact O-CB 3.25Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.04Å; I150-A153 WeakPolarHBondContact O-CB 3.5Å; I150-A153 PolarHBondContact O-N 3Å; I150-A153 VanDerWaalsContact O-N 3.14Å; A153-T156 PolarHBondContact O-OG1 3.39Å; A153-K157 WeakPolarHBondContact O-CA 3.13Å; A153-K157 PolarHBondContact O-N 3.04Å; A153-M158 WeakPolarHBondContact CA-O 3.5Å; A153-M158 VanDerWaalsContact CB-O 3.27Å; A153-M158 WeakPolarHBondContact CB-O 3.31Å; A153-M158 PolarHBondContact O-N 3.42Å; A153-V163 HydrophobicContact CB-CG2 4.11Å
154I97.2Very high97.2Very high121 Ų12169.9 Ų69.962%0.62137%0.37SS*.Hα-helixtrans-63.4-53.2177.2-66.8164.7000111I150 M151 L152 T156 K157I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 3.2Å; M151-I154 PolarHBondContact O-N 2.87Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.47Å; I154-T156 PolarHBondContact O-N 3.42Å; I154-K157 PolarHBondContact O-N 2.61Å
155I96.6Very high97.3Very high95 Ų9573.8 Ų73.849%0.48739%0.394SS..Hα-helixtrans-63.1-43-177.6-63.8164.7000111.1T130 M151 L152 K157T130-I155 HydrophobicContact CG2-CB 4.42Å; T130-I155 HydrophobicContact CG2-CG2 3.77Å; M151-I155 HydrophobicContact CG-CD1 3.79Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.78Å; L152-I155 PolarHBondContact O-N 3.46Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.41Å
156T96.6Very high97.2Very high9 Ų972.4 Ų72.46%0.05538%0.38CS..Hα-helixtrans-79.3-14.3-177.460.70000113.9S127 T130 L131 L152 A153 I154 M158S127-T156 WeakPolarHBondContact CB-O 3.48Å; S127-T156 WeakPolarHBondContact O-CG2 3.27Å; T130-T156 HydrophobicContact CG2-CG2 4.45Å; L131-T156 HydrophobicContact CD1-CG2 4.33Å; L131-T156 HydrophobicContact CD2-CG2 3.99Å; L131-T156 HydrophobicContact CG-CG2 3.84Å; L152-T156 WeakPolarHBondContact O-CB 3.47Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 3Å; A153-T156 PolarHBondContact O-OG1 3.39Å; I154-T156 PolarHBondContact O-N 3.42Å; T156-M158 PolarHBondContact O-N 3.1Å; T156-M158 WeakPolarHBondContact OG1-CB 3.33Å; T156-M158 PolarHBondContact OG1-N 2.93Å
157K96.1Very high97.2Very high198 Ų19863.9 Ų63.986%0.86134%0.343SS*.THydrogen-bonded Turntrans54.231.6-169.7-54.6-177.8-177.9-178.90112.8A153 I154 I155A153-K157 WeakPolarHBondContact O-CA 3.13Å; A153-K157 PolarHBondContact O-N 3.04Å; I154-K157 PolarHBondContact O-N 2.61Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.41Å
158M94.4Very high97.1Very high23 Ų2362.8 Ų62.811%0.11333%0.329CS..  trans-105.4150.5176.1-66.8171.654.700109.7A123 L131 A153 T156 Q162 V163A123-M158 HydrophobicContact CB-CE 4.34Å; A123-M158 HydrophobicContact CB-SD 3.99Å; L131-M158 HydrophobicContact CD1-CE 4.06Å; L131-M158 HydrophobicContact CD1-SD 3.91Å; A153-M158 WeakPolarHBondContact CA-O 3.5Å; A153-M158 VanDerWaalsContact CB-O 3.27Å; A153-M158 WeakPolarHBondContact CB-O 3.31Å; A153-M158 PolarHBondContact O-N 3.42Å; T156-M158 PolarHBondContact O-N 3.1Å; T156-M158 WeakPolarHBondContact OG1-CB 3.33Å; T156-M158 PolarHBondContact OG1-N 2.93Å; M158-Q162 HydrophobicContact CB-CB 4.13Å; M158-Q162 HydrophobicContact CE-CB 3.85Å; M158-V163 HydrophobicContact CB-CG2 3.99Å
159T97.3Very high97Very high78 Ų7864.1 Ų64.148%0.47934%0.338SS..  trans-67.9154176.174.50000111.2T161 Q162 V163T159-T161 PolarHBondContact O-N 2.97Å; T159-T161 VanDerWaalsContact O-N 3.14Å; T159-Q162 WeakPolarHBondContact O-CA 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.23Å; T159-Q162 PolarHBondContact OG1-N 2.88Å; T159-V163 PolarHBondContact O-N 3.34Å
160L96.8Very high96.9Very high90 Ų9061.8 Ų61.847%0.47133%0.33SS..Hα-helixtrans-50.4-40.1175.4-179.259.8000112.2K149 V163 S164K149-L160 HydrophobicContact CB-CD1 3.52Å; K149-L160 HydrophobicContact CD-CD1 4.16Å; K149-L160 HydrophobicContact CG-CD1 4.45Å; L160-V163 PolarHBondContact O-N 2.81Å; L160-S164 VanDerWaalsContact O-CB 3.31Å; L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 2.98Å
161T97.1Very high96.7Very high101 Ų10160.8 Ų60.862%0.6232%0.32SS*.Hα-helixtrans-64.7-40.6175.4-42.70000112.6T159 T165T159-T161 PolarHBondContact O-N 2.97Å; T159-T161 VanDerWaalsContact O-N 3.14Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 PolarHBondContact O-N 3.04Å; T161-T165 PolarHBondContact O-OG1 2.79Å
162Q97.2Very high96.5Very high89 Ų8964.4 Ų64.442%0.41633%0.329SS..Hα-helixtrans-66.4-43.9175.8-73.1173-35.700111.6M158 T159 T165 W166M158-Q162 HydrophobicContact CB-CB 4.13Å; M158-Q162 HydrophobicContact CE-CB 3.85Å; T159-Q162 WeakPolarHBondContact O-CA 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.23Å; T159-Q162 PolarHBondContact OG1-N 2.88Å; Q162-T165 PolarHBondContact O-N 3.48Å; Q162-W166 WeakPolarHBondContact O-CB 3.37Å; Q162-W166 PolarHBondContact O-N 3.48Å
163V97.4Very high96.2Very high0 Ų071.5 Ų71.50%036%0.355CS..Hα-helixtrans-61.6-48.6175.6176.10000110.6L131 L152 A153 M158 T159 L160 T165 W166 F167L131-V163 HydrophobicContact CD2-CG1 4.09Å; L152-V163 HydrophobicContact CB-CG1 4.21Å; A153-V163 HydrophobicContact CB-CG2 4.11Å; M158-V163 HydrophobicContact CB-CG2 3.99Å; T159-V163 PolarHBondContact O-N 3.34Å; L160-V163 PolarHBondContact O-N 2.81Å; V163-T165 PolarHBondContact O-N 3.34Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.14Å; V163-F167 HydrophobicContact CG1-CD2 3.86Å; V163-F167 HydrophobicContact CG1-CE2 3.84Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.44Å
164S97.4Very high95.6Very high53 Ų5371.4 Ų71.437%0.37135%0.353SS..Hα-helixtrans-58.2-45.8176.8-171.70000112.3L160 W166 F167 A168L160-S164 VanDerWaalsContact O-CB 3.31Å; L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 2.98Å; S164-W166 PolarHBondContact O-N 2.94Å; S164-F167 PolarHBondContact O-N 3.16Å; S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.44Å
165T97.5Very high94.6Very high86 Ų8674.6 Ų74.653%0.52836%0.362SS..Hα-helixtrans-64-39.3177.1-57.50000112T161 Q162 V163 A168 N169T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 PolarHBondContact O-N 3.04Å; T161-T165 PolarHBondContact O-OG1 2.79Å; Q162-T165 PolarHBondContact O-N 3.48Å; V163-T165 PolarHBondContact O-N 3.34Å; T165-A168 PolarHBondContact O-N 2.85Å; T165-N169 WeakPolarHBondContact O-CB 3.45Å; T165-N169 PolarHBondContact O-N 2.89Å
166W97.1Very high93.4Very high53 Ų5379.3 Ų79.320%0.20138%0.379CS..Hα-helixtrans-62.1-49.3176.7-170101.4000111.1T128 L131 K132 L135 Q162 V163 S164 A168 N169 A170T128-W166 HydrophobicContact CG2-CZ2 4.12Å; L131-W166 HydrophobicContact CB-CD2 4.08Å; L131-W166 HydrophobicContact CB-CE3 3.87Å; L131-W166 HydrophobicContact CB-CH2 3.67Å; L131-W166 HydrophobicContact CB-CZ2 3.85Å; L131-W166 HydrophobicContact CB-CZ3 3.68Å; L131-W166 HydrophobicContact CD1-CB 4.42Å; L131-W166 HydrophobicContact CD1-CD2 3.79Å; L131-W166 HydrophobicContact CD1-CE3 4.24Å; L131-W166 HydrophobicContact CD1-CG 3.85Å; L131-W166 HydrophobicContact CG-CD2 4.48Å; L131-W166 HydrophobicContact CG-CE3 4.49Å; K132-W166 HydrophobicContact CG-CH2 4.12Å; K132-W166 HydrophobicContact CG-CZ2 4.17Å; L135-W166 HydrophobicContact CD2-CH2 4.1Å; L135-W166 HydrophobicContact CD2-CZ3 4.05Å; Q162-W166 WeakPolarHBondContact O-CB 3.37Å; Q162-W166 PolarHBondContact O-N 3.48Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.14Å; S164-W166 PolarHBondContact O-N 2.94Å; W166-A168 PolarHBondContact O-N 3.06Å; W166-N169 PolarHBondContact O-N 3.04Å; W166-N169 VanDerWaalsContact O-N 3.14Å; W166-A170 HydrophobicContact CE3-CB 3.96Å; W166-A170 HydrophobicContact CH2-CB 4.21Å; W166-A170 HydrophobicContact CZ3-CB 3.75Å; W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 2.94Å
167F97.3Very high91.8Very high2 Ų282.9 Ų82.91%0.00940%0.395CS..Hα-helixtrans-63.9-40.2176.7-83.6-70.5000112.9L131 W134 L135 P144 L152 V163 S164 N169 A170 R171L131-F167 HydrophobicContact CD2-CE2 3.68Å; L131-F167 HydrophobicContact CD2-CZ 4.11Å; W134-F167 HydrophobicContact CD2-CE1 4.41Å; W134-F167 HydrophobicContact CD2-CZ 4.13Å; W134-F167 HydrophobicContact CE3-CD1 4.36Å; W134-F167 AromaticContact CE3-CE1 3.33Å; W134-F167 HydrophobicContact CE3-CE1 3.33Å; W134-F167 AromaticContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CE3-CZ 3.45Å; W134-F167 VanDerWaalsContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CZ3-CD1 4.24Å; W134-F167 AromaticContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CZ 4.06Å; L135-F167 HydrophobicContact CB-CE1 4.17Å; L135-F167 HydrophobicContact CD1-CD1 4.39Å; L135-F167 HydrophobicContact CD1-CE1 4.23Å; P144-F167 HydrophobicContact CG-CD1 4.39Å; P144-F167 HydrophobicContact CG-CD2 3.81Å; P144-F167 HydrophobicContact CG-CE2 3.99Å; P144-F167 HydrophobicContact CG-CG 4.02Å; P144-F167 HydrophobicContact CG-CZ 4.38Å; L152-F167 HydrophobicContact CD1-CE2 3.74Å; L152-F167 HydrophobicContact CD1-CZ 3.92Å; V163-F167 HydrophobicContact CG1-CD2 3.86Å; V163-F167 HydrophobicContact CG1-CE2 3.84Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.44Å; S164-F167 PolarHBondContact O-N 3.16Å; F167-N169 PolarHBondContact O-N 3.4Å; F167-A170 PolarHBondContact O-N 3.02Å; F167-R171 WeakPolarHBondContact O-CB 3.1Å; F167-R171 WeakPolarHBondContact O-CG 3.21Å; F167-R171 PolarHBondContact O-N 3.19Å
168A96.3Very high89.8Confident24 Ų2480 Ų8020%0.19839%0.389CS..Hα-helixtrans-62.9-30.9174.600000112.4S164 T165 W166 R172S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.44Å; T165-A168 PolarHBondContact O-N 2.85Å; W166-A168 PolarHBondContact O-N 3.06Å; A168-R172 WeakPolarHBondContact O-CD 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.25Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-NH1 3.03Å
169N96Very high88.2Confident66 Ų6685.1 Ų85.135%0.35341%0.41SS..Hα-helixtrans-78.8-45174-162.7-44.7000111.4T165 W166 F167 R171 R172 R173T165-N169 WeakPolarHBondContact O-CB 3.45Å; T165-N169 PolarHBondContact O-N 2.89Å; W166-N169 PolarHBondContact O-N 3.04Å; W166-N169 VanDerWaalsContact O-N 3.14Å; F167-N169 PolarHBondContact O-N 3.4Å; N169-R171 PolarHBondContact O-N 3.29Å; N169-R172 PolarHBondContact O-N 3.05Å; N169-R172 VanDerWaalsContact O-N 3.16Å; N169-R173 PolarHBondContact O-N 3.16Å; N169-R173 PolarHBondContact OD1-NE 3.49Å; N169-R173 PolarHBondContact OD1-NH1 2.86Å
170A94.8Very high86.3Confident11 Ų1183.1 Ų83.19%0.09140%0.398CS..Hα-helixtrans-57-50.5177.600000111.8L135 W166 F167 R172 R173 L174L135-A170 HydrophobicContact CD2-CB 3.79Å; W166-A170 HydrophobicContact CE3-CB 3.96Å; W166-A170 HydrophobicContact CH2-CB 4.21Å; W166-A170 HydrophobicContact CZ3-CB 3.75Å; W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 2.94Å; F167-A170 PolarHBondContact O-N 3.02Å; A170-R172 VanDerWaalsContact C-N 3.3Å; A170-R172 PolarHBondContact O-N 2.9Å; A170-R173 PolarHBondContact O-N 3.38Å; A170-L174 VanDerWaalsContact O-CB 3.25Å; A170-L174 WeakPolarHBondContact O-CB 3.37Å; A170-L174 PolarHBondContact O-N 2.79Å
171R95Very high84.3Confident61 Ų6182 Ų8223%0.2340%0.395CS..Hα-helixtrans-56.4-39.1175.4-72.9-163.8-66.2-96.67.2113.2P142 Y143 F167 N169 L174 K175P142-R171 HydrophobicContact CB-CG 4.02Å; P142-R171 HydrophobicContact CG-CG 3.9Å; P142-R171 WeakPolarHBondContact O-CD 3.25Å; P142-R171 PolarHBondContact O-NH1 3.26Å; Y143-R171 VanDerWaalsContact CD1-CZ 3.48Å; Y143-R171 VanDerWaalsContact CE1-CZ 3.46Å; F167-R171 WeakPolarHBondContact O-CB 3.1Å; F167-R171 WeakPolarHBondContact O-CG 3.21Å; F167-R171 PolarHBondContact O-N 3.19Å; N169-R171 PolarHBondContact O-N 3.29Å; R171-L174 PolarHBondContact O-N 3.12Å; R171-K175 PolarHBondContact O-N 3.38Å
172R93.6Very high82.3Confident173 Ų17381.8 Ų81.865%0.65338%0.383SS*.Hα-helixtrans-67-42.3177.8-72.8175.3-170.5115.5-14112.2A168 N169 A170 L174 K175 K176A168-R172 WeakPolarHBondContact O-CD 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.25Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-NH1 3.03Å; N169-R172 PolarHBondContact O-N 3.05Å; N169-R172 VanDerWaalsContact O-N 3.16Å; A170-R172 VanDerWaalsContact C-N 3.3Å; A170-R172 PolarHBondContact O-N 2.9Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-K175 PolarHBondContact O-N 3.24Å; R172-K176 PolarHBondContact O-N 3.19Å
173R90.7Very high80.1Confident153 Ų15381 Ų8158%0.57740%0.398SS*.Hα-helixtrans-59.6-48.6172.2-69.9179.5174.2127.6-0.3110.2N169 A170 K175 K176 E177N169-R173 PolarHBondContact O-N 3.16Å; N169-R173 PolarHBondContact OD1-NE 3.49Å; N169-R173 PolarHBondContact OD1-NH1 2.86Å; A170-R173 PolarHBondContact O-N 3.38Å; R173-K175 PolarHBondContact O-N 3.08Å; R173-K175 VanDerWaalsContact O-N 3.17Å; R173-K176 WeakPolarHBondContact O-CA 3.21Å; R173-K176 PolarHBondContact O-N 3.09Å; R173-E177 WeakPolarHBondContact O-CG 3.35Å; R173-E177 PolarHBondContact O-N 2.78Å
174L84.4Confident77.5Confident14 Ų1488.1 Ų88.17%0.07344%0.437CS..Hα-helixtrans-65.5-16.3-177.1-152.662.5000115.3L135 A170 R171 R172 V180 W182L135-L174 HydrophobicContact CD1-CD2 4.22Å; L135-L174 HydrophobicContact CG-CD2 4.49Å; A170-L174 VanDerWaalsContact O-CB 3.25Å; A170-L174 WeakPolarHBondContact O-CB 3.37Å; A170-L174 PolarHBondContact O-N 2.79Å; R171-L174 PolarHBondContact O-N 3.12Å; R172-L174 VanDerWaalsContact C-N 3.34Å; L174-V180 HydrophobicContact CD1-CG2 3.93Å; L174-V180 HydrophobicContact CD2-CG2 4.15Å; L174-V180 HydrophobicContact CG-CG2 3.6Å; L174-W182 HydrophobicContact CD2-CZ2 3.66Å; L174-W182 HydrophobicContact CG-CZ2 4.47Å
175K75.9Confident74.9Confident187 Ų18794.9 Ų94.981%0.81345%0.454SS*.Hα-helixtrans-93.3-21.9169.9-177.5168.7-179.61710112.9R171 R172 R173R171-K175 PolarHBondContact O-N 3.38Å; R172-K175 PolarHBondContact O-N 3.24Å; R173-K175 PolarHBondContact O-N 3.08Å; R173-K175 VanDerWaalsContact O-N 3.17Å
176K71.8Confident72.3Confident194 Ų19496.9 Ų96.984%0.84347%0.471SS*.Hα-helixtrans-90.9-35.9179-174.9174.4179.5177.80112.5R172 R173R172-K176 PolarHBondContact O-N 3.19Å; R173-K176 WeakPolarHBondContact O-CA 3.21Å; R173-K176 PolarHBondContact O-N 3.09Å
177E63.2Low69.8Low85 Ų85103.8 Ų103.840%0.39750%0.503SS..SBendtrans-84.2124.616672.4-161.7137.900108.7R173 K179R173-E177 WeakPolarHBondContact O-CG 3.35Å; R173-E177 PolarHBondContact O-N 2.78Å; E177-K179 HydrophobicContact CB-CD 4.13Å; E177-K179 HydrophobicContact CB-CG 4.2Å; E177-K179 HydrophobicContact CG-CB 4.19Å; E177-K179 HydrophobicContact CG-CD 3.8Å; E177-K179 HydrophobicContact CG-CG 3.95Å; E177-K179 PolarHBondContact O-N 2.82Å; E177-K179 WeakPolarHBondContact OE2-CD 3.49Å
178N53.9Low67.3Low137 Ų137113 Ų11373%0.73355%0.546SS*.SBendtrans-78.753.3-172.6-163.612.8000112.4
179K61.5Low64.9Low130 Ų130120.1 Ų120.157%0.56558%0.581SS**SBendtrans-107.610.4-172.1-58.9179.177.4-82.20113.3R139 E177R139-K179 PolarHBondContact NH2-O 3.11Å; E177-K179 HydrophobicContact CB-CD 4.13Å; E177-K179 HydrophobicContact CB-CG 4.2Å; E177-K179 HydrophobicContact CG-CB 4.19Å; E177-K179 HydrophobicContact CG-CD 3.8Å; E177-K179 HydrophobicContact CG-CG 3.95Å; E177-K179 PolarHBondContact O-N 2.82Å; E177-K179 WeakPolarHBondContact OE2-CD 3.49Å
180V58.3Low62.3Low37 Ų37119.9 Ų119.922%0.22459%0.594CS.*  trans-168.1115.4168.2-110.10000108.4R139 L174 W182R139-V180 VanDerWaalsContact CZ-CG1 3.47Å; L174-V180 HydrophobicContact CD1-CG2 3.93Å; L174-V180 HydrophobicContact CD2-CG2 4.15Å; L174-V180 HydrophobicContact CG-CG2 3.6Å; V180-W182 HydrophobicContact CB-CD2 4.48Å; V180-W182 HydrophobicContact CB-CG 4.43Å; V180-W182 HydrophobicContact CB-CZ2 4.41Å; V180-W182 HydrophobicContact CG2-CZ2 4Å; V180-W182 PolarHBondContact O-N 3.28Å
181T54.3Low59.8Low66 Ų66128.6 Ų128.641%0.40563%0.633SS.*  trans-83.891.8166.944.80000109G183 R185T181-G183 PolarHBondContact O-N 2.86Å; T181-R185 HydrophobicContact CG2-CG 4.45Å; T181-R185 WeakPolarHBondContact OG1-CD 3.36Å
182W53.8Low57.3Low97 Ų97134 Ų13437%0.36767%0.667SS.*SBendtrans-69.459.9-177.8-66.392.3000113.8R139 P142 L174 V180R139-W182 WeakPolarHBondContact O-CH2 3.46Å; R139-W182 WeakPolarHBondContact O-CZ3 3.33Å; P142-W182 HydrophobicContact CB-CH2 3.65Å; P142-W182 HydrophobicContact CB-CZ2 4.13Å; P142-W182 HydrophobicContact CB-CZ3 4.34Å; P142-W182 HydrophobicContact CG-CE3 4.35Å; P142-W182 HydrophobicContact CG-CH2 3.37Å; P142-W182 HydrophobicContact CG-CZ2 3.74Å; P142-W182 HydrophobicContact CG-CZ3 3.7Å; L174-W182 HydrophobicContact CD2-CZ2 3.66Å; L174-W182 HydrophobicContact CG-CZ2 4.47Å; V180-W182 HydrophobicContact CB-CD2 4.48Å; V180-W182 HydrophobicContact CB-CG 4.43Å; V180-W182 HydrophobicContact CB-CZ2 4.41Å; V180-W182 HydrophobicContact CG2-CZ2 4Å; V180-W182 PolarHBondContact O-N 3.28Å
183G51.8Low55.1Low71 Ų71129.5 Ų129.573%0.73267%0.674SS**SBendtrans162.8-24.9168.900000118.1T181T181-G183 PolarHBondContact O-N 2.86Å
184N42.5Very low52.5Low151 Ų151129.5 Ų129.581%0.80769%0.685SS**SBendtrans-144.845.8-163.8-143.2107.6000116.4
185R43.4Very low50.8Low194 Ų194136.8 Ų136.873%0.73272%0.723SS**  trans-140.659.6169.1-70.4-166178.8-127.4-2.8112.2T181T181-R185 HydrophobicContact CG2-CG 4.45Å; T181-R185 WeakPolarHBondContact OG1-CD 3.36Å
186S42.3Very low49.1Very low128 Ų128137.3 Ų137.390%0.89573%0.726SS**SBendtrans-120.132.9168.8-58.30000111.3
187K45.7Very low47.3Very low198 Ų198131.4 Ų131.486%0.86172%0.72SS**SBendtrans-161.4156.8171.1-142.9159.5-174.4169.40107.3
188E44.6Very low46.1Very low196 Ų196133.2 Ų133.292%0.91674%0.742SS**SBendtrans6654.9177.2-157.6175.9-112.700115.8
189D45.6Very low45.4Very low174 Ų174130 Ų13093%0.9374%0.741SS**SBendtrans-163.488.2134.5-165.512.3000108.3
190G41.8Very low43.9Very low61 Ų61131.7 Ų131.763%0.62976%0.756SS**SBendtrans160.2110.8-173.900000114.6
191E41.3Very low43.3Very low194 Ų194138.7 Ų138.791%0.90779%0.786SS**  trans40.3120.215666.9-154.8140.900122.1
192D43Very low42.7Very low175 Ų175140.2 Ų140.294%0.93681%0.806SS**  trans-65.6131.6161.3-61.2-83.2000111.8
193G47.9Very low42.3Very low78 Ų78144.7 Ų144.780%0.80483%0.831SS**  trans119.575.8152.900000118.2
194N35.2Very low42.1Very low153 Ų153148.8 Ų148.882%0.81883%0.829SS**  trans-134.798.3144.6-172.739.5000111.5F196N194-F196 PolarHBondContact O-N 2.89Å
195L49Very low42Very low167 Ų167148.9 Ų148.987%0.87483%0.829SS**  trans-9471.5-178-179.364.9000111
196F39.5Very low42.5Very low198 Ų198145.7 Ų145.787%0.86882%0.823SS**  trans-171.2140.8147.6-131-107.9000111.3N194N194-F196 PolarHBondContact O-N 2.89Å
197G33.9Very low42.8Very low70 Ų70147.3 Ų147.372%0.72282%0.821SS**  trans150.175.4176.600000114.2
198S37.8Very low43.1Very low123 Ų123147.2 Ų147.286%0.8682%0.824SS**  trans-63.7142.7156.8-155.50000107.8
199G39.7Very low43.5Very low68 Ų68146.6 Ų146.670%0.70182%0.821SS**  cis1128715.200000108.6
200D31.5Very low43.6Very low166 Ų166147.6 Ų147.689%0.88882%0.82SS**  trans-155.3155.5165.9-163.711000108.2
201E45.4Very low44Very low184 Ų184151.3 Ų151.386%0.8682%0.824SS**  trans-129.3103.4-162.7-74.5-98.6172.600112.1
202A41.4Very low44.5Very low99 Ų99146.8 Ų146.882%0.81881%0.806SS**  trans-170.171.9163.800000114.3K204A202-K204 PolarHBondContact O-N 3.17Å
203E44.8Very low45.1Very low190 Ų190145 Ų14589%0.88880%0.796SS**  trans-78103.4155.5-72.5-145.3150.500109N205E203-N205 PolarHBondContact O-N 3.45Å; E203-N205 PolarHBondContact O-ND2 3.27Å; E203-N205 VanDerWaalsContact O-ND2 3.09Å
204K47.8Very low45.4Very low158 Ų158150.2 Ų150.269%0.68780%0.799SS**  trans-70.5124.1-179.1-164.8-172.5-177.5-158.20109.1A202 E206A202-K204 PolarHBondContact O-N 3.17Å; K204-E206 HydrophobicContact CD-CG 4.43Å; K204-E206 WeakPolarHBondContact CE-OE1 3.38Å; K204-E206 HydrophobicContact CG-CG 4.46Å; K204-E206 IonicContact NZ-OE1 2.61Å; K204-E206 PolarHBondContact NZ-OE1 3.34Å; K204-E206 PolarHBondContact O-N 3.36Å; K204-E206 VanDerWaalsContact O-N 3.16Å
205N41.6Very low46.1Very low153 Ų153146.9 Ų146.982%0.81879%0.788SS**  trans-82.297.7-178.3-75.2-114.2000109.5E203E203-N205 PolarHBondContact O-N 3.45Å; E203-N205 PolarHBondContact O-ND2 3.27Å; E203-N205 VanDerWaalsContact O-ND2 3.09Å
206E52.7Low46.4Very low127 Ų127143.9 Ų143.959%0.59377%0.771SS**  trans-126.2119.6163.6-60.2173.8158.600101.7K204K204-E206 HydrophobicContact CD-CG 4.43Å; K204-E206 WeakPolarHBondContact CE-OE1 3.38Å; K204-E206 HydrophobicContact CG-CG 4.46Å; K204-E206 IonicContact NZ-OE1 2.61Å; K204-E206 PolarHBondContact NZ-OE1 3.34Å; K204-E206 PolarHBondContact O-N 3.36Å; K204-E206 VanDerWaalsContact O-N 3.16Å
207D49.4Very low47.2Very low161 Ų161139.3 Ų139.386%0.86176%0.756SS**  cis-139101.442.3-49.7-55.1000113.1
208E51Low48.5Very low197 Ų197142.1 Ų142.192%0.92175%0.753SS**  trans-103.864.5166-76.4-164.9160.100111.3
209E54.3Low49.3Very low183 Ų183144.1 Ų144.186%0.85575%0.754SS**  trans-103.594.5162.3-71.1-162.6172.100110.2I211E209-I211 PolarHBondContact O-N 3.45Å; E209-I211 VanDerWaalsContact O-N 3.1Å
210E47Very low50Low195 Ų195148 Ų14891%0.91175%0.752SS**  trans-66.9103.5168.3-67.9-165.5129.500109.7D212E210-D212 PolarHBondContact O-N 3.21Å
211I50.6Low51.1Low138 Ų138145.7 Ų145.771%0.70874%0.738SS**  trans-65.296.6170.846.4162.7000110.6E209 L213E209-I211 PolarHBondContact O-N 3.45Å; E209-I211 VanDerWaalsContact O-N 3.1Å; I211-L213 HydrophobicContact CD1-CD2 4.48Å; I211-L213 PolarHBondContact O-N 3.31Å
212D51.2Low51.6Low100 Ų100144.4 Ų144.454%0.53574%0.737SS.*  trans-62.5107.5178.9178.417.6000111.6E210 E214 S215E210-D212 PolarHBondContact O-N 3.21Å; D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.4Å; D212-S215 PolarHBondContact O-N 3.25Å; D212-S215 PolarHBondContact O-OG 3.28Å
213L56.1Low52.3Low137 Ų137149 Ų14972%0.71774%0.742SS**THydrogen-bonded Turntrans-72.5-5.2-178-60178.8000113.5I211 S215I211-L213 HydrophobicContact CD1-CD2 4.48Å; I211-L213 PolarHBondContact O-N 3.31Å; L213-S215 VanDerWaalsContact C-N 3.33Å
214E52.9Low52.5Low187 Ų187146.9 Ų146.987%0.87474%0.737SS**THydrogen-bonded Turntrans-82.5-10.8171.8-165155.2-11900112.5D212D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.4Å
215S50.9Low52.6Low84 Ų84147.3 Ų147.359%0.58775%0.746SS**SBendtrans-97.3-5.7-173.571.20000116.7D212 L213 D217D212-S215 PolarHBondContact O-N 3.25Å; D212-S215 PolarHBondContact O-OG 3.28Å; L213-S215 VanDerWaalsContact C-N 3.33Å; S215-D217 PolarHBondContact O-N 3.2Å
216I55.3Low53.1Low103 Ų103143 Ų14353%0.52874%0.738SS.*  trans-89.295-175.1-57.8178.3000110.9I218I216-I218 PolarHBondContact O-N 3.39Å
217D57Low53.1Low102 Ų102143.4 Ų143.455%0.54574%0.744SS.*  trans-59.395.2166.4-82.7-21.2000110.4S215 D219 K220S215-D217 PolarHBondContact O-N 3.2Å; D217-D219 PolarHBondContact O-N 3.18Å; D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 HydrophobicContact CB-CD 4.23Å; D217-K220 PolarHBondContact O-N 3.22Å; D217-K220 IonicContact OD2-NZ 2.87Å; D217-K220 PolarHBondContact OD2-NZ 3.26Å
218I61Low52.7Low130 Ų130145.5 Ų145.567%0.66775%0.749SS**G310 helixtrans-60.5-29.7180-76.8171.9000112.5I216 K220I216-I218 PolarHBondContact O-N 3.39Å; I218-K220 PolarHBondContact O-N 3.04Å; I218-K220 VanDerWaalsContact O-N 3.13Å
219D53Low52.2Low164 Ų164139.6 Ų139.688%0.87773%0.729SS**G310 helixtrans-72.5-1-176.9-60-29.5000114.1D217D217-D219 PolarHBondContact O-N 3.18Å
220K55.3Low51.8Low151 Ų151138 Ų13866%0.65773%0.727SS**G310 helixtrans-102.2-0.8-178.3-103172.9-167.2146.70115.5D217 I218D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 HydrophobicContact CB-CD 4.23Å; D217-K220 PolarHBondContact O-N 3.22Å; D217-K220 IonicContact OD2-NZ 2.87Å; D217-K220 PolarHBondContact OD2-NZ 3.26Å; I218-K220 PolarHBondContact O-N 3.04Å; I218-K220 VanDerWaalsContact O-N 3.13Å
221I55.3Low51.4Low117 Ų117137.5 Ų137.560%0.672%0.724SS**SBendtrans-84.7-19-169.9-59172.3000112.1E223I221-E223 PolarHBondContact O-N 3.27Å
222D55Low51.2Low157 Ų157137.9 Ų137.984%0.8473%0.728SS**THydrogen-bonded Turntrans-77.4-16.6-171-148.946.2000114.5
223E56Low50.8Low196 Ų196141 Ų14192%0.91675%0.745SS**THydrogen-bonded Turntrans-98.6-0.2-173.7-65.8-165.715300115.2I221I221-E223 PolarHBondContact O-N 3.27Å
224N48Very low50.1Low144 Ų144141.5 Ų141.577%0.7775%0.748SS**  trans-111.611.6-176-156.4102.8000114.2G226N224-G226 VanDerWaalsContact C-N 3.3Å; N224-G226 PolarHBondContact O-N 3.45Å
225D51.6Low49.7Very low167 Ų167139.4 Ų139.489%0.89374%0.743SS**  trans-94.949.8179.3-146.96.5000111.7
226G52.1Low49.2Very low62 Ų62144.6 Ų144.664%0.63976%0.755SS**SBendtrans-148.6123.2-17600000112.9N224N224-G226 VanDerWaalsContact C-N 3.3Å; N224-G226 PolarHBondContact O-N 3.45Å
227D51.3Low48.3Very low137 Ų137144.7 Ų144.773%0.73376%0.764SS**  trans43.190.5174.1-83.5-61.3000118.1S229D227-S229 WeakPolarHBondContact OD1-CB 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.45Å
228Q41.9Very low47.3Very low205 Ų205145.8 Ų145.896%0.95878%0.775SS**  trans-106.769.7133.5-68.3-156.4-26.900109.3
229S40.9Very low46Very low72 Ų72148.6 Ų148.650%0.50379%0.785SS.*  trans-64.9145.4165.715.90000110.2D227 E231D227-S229 WeakPolarHBondContact OD1-CB 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.45Å; S229-E231 PolarHBondContact O-N 3.31Å
230N46.3Very low44.9Very low150 Ų150144.2 Ų144.280%0.80278%0.779SS**  trans-88.392-170.3-177.1110.3000110.7
231E38.4Very low43.8Very low185 Ų185142.4 Ų142.486%0.86479%0.785SS**  trans-112.9111.7172.7-63.1-164.6169.900111.1S229S229-E231 PolarHBondContact O-N 3.31Å
232D45.3Very low42.7Very low146 Ų146147 Ų14778%0.78180%0.795SS**  trans-83134.6166.2-127.1-44.6000107.4
233D43.2Very low41.6Very low166 Ų166146.7 Ų146.789%0.88879%0.789SS**  trans-153.2139.5165.2-141.3-11.7000111.8
234D42Very low40.6Very low146 Ų146146.3 Ų146.378%0.78179%0.787SS**  trans-96.4156.8-159-106.5-46.3000114.6
235D43.9Very low40Very low144 Ų144150.2 Ų150.277%0.7779%0.791SS**  trans36.6114.5149.3-129.9-14.8000120.6
236K40.2Very low39Very low192 Ų192145.7 Ų145.784%0.83578%0.784SS**  trans-144.298.7151.1-162.7167.4-170.31690114.4
237S37.8Very low38Very low105 Ų105147.8 Ų147.873%0.73479%0.788SS**  trans-74.1124.2169.2500000112.7
238T35.2Very low37.3Very low126 Ų126149.5 Ų149.577%0.77380%0.796SS**  trans-142.4123.2150.1-47.80000111.6
239E32.9Very low36.8Very low188 Ų188143.5 Ų143.588%0.87979%0.79SS**  trans-44.6141170.2-174.8172.2-164.400116
240G31.3Very low36.4Very low73 Ų73145 Ų14575%0.75381%0.807SS**  trans-167.89917600000113.5
241S31.6Very low36.3Very low112 Ų112144.4 Ų144.478%0.78381%0.811SS**  trans-66.2148.1-178.3-43.90000113.6
242R33.2Very low36Very low214 Ų214139.2 Ų139.281%0.80881%0.807SS**  -170.1116.8118.9-105.8-170.6164.3105.95116.7
243E31.8Very low35.5Very low150 Ų150140.3 Ų140.370%0.70181%0.813SS**  trans22.7114143.362.8-160.5127.200121
244H34.9Very low35Very low189 Ų189140.9 Ų140.988%0.87582%0.815SS**  trans-131.8140.3149.5-144.670.2000113.2
245R35.6Very low34.8Very low226 Ų226141 Ų14185%0.85382%0.816SS**  trans-73.9149.6175.4-124.8166.3-77.4-156.6-5.4109
246G30.3Very low34.4Very low72 Ų72139.4 Ų139.474%0.74282%0.815SS**  cis119.573.8500000112.2
247S30.9Very low34.3Very low106 Ų106138.1 Ų138.174%0.74182%0.817SS**  trans-158.7110.8170.5-176.30000113.6
248L36.1Very low34.5Very low172 Ų172141.5 Ų141.590%0.90182%0.821SS**  trans24.4128.2140.2-49.5171.8000119.6
249G30.2Very low34.7Very low80 Ų80145 Ų14583%0.82583%0.826SS**  cis140.6130.4-9.900000115
250A33.4Very low35.1Very low104 Ų104147.3 Ų147.386%0.8683%0.826SS**  trans-168.6148.4161.600000110.4
251P43.4Very low35.5Very low137 Ų137155.5 Ų155.589%0.8983%0.834SS**  trans-110.1156.3-172.539.5-33000115.9
252G32.6Very low35.6Very low75 Ų75154.2 Ų154.277%0.77383%0.831SS**  trans-175.3137.1168.300000113.5
253D35.1Very low35.5Very low170 Ų170154.3 Ų154.391%0.90984%0.837SS**  trans40.4109.6173.2-70.7-17.2000121.8
254L33.5Very low35.6Very low178 Ų178151.8 Ų151.893%0.93284%0.843SS**  trans-108.2118.2149.7-75.2165000108.6
255D36.1Very low35.4Very low149 Ų149151 Ų15180%0.79784%0.844SS**  trans175.5110.2135.7-176.921.8000110.8
256S37.3Very low35.2Very low109 Ų109149.3 Ų149.376%0.76285%0.845SS**SBendtrans-178-28.2165.4-92.50000115.4
257L38.1Very low35.1Very low165 Ų165150 Ų15086%0.86484%0.844SS**SBendtrans-90.9-7.2-163-143.498.9000115.8K259L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.98Å
258E40.2Very low35Very low177 Ų177152.5 Ų152.583%0.82784%0.844SS**G310 helixtrans-76.4-21.4-175-166.6149.8-158.600113.1R260E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 2.99Å; E258-R260 VanDerWaalsContact O-N 3.12Å
259K40.2Very low34.7Very low199 Ų199152.3 Ų152.387%0.86584%0.839SS**G310 helixtrans-81.413.9-168.6-152.3170.3-177.8172.80116.2L257L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.98Å
260R42Very low34.6Very low237 Ų237152.9 Ų152.989%0.89484%0.835SS**G310 helixtrans-127.38.8179.2-65.2-143.7-59.5-101.64.7116.2E258E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 2.99Å; E258-R260 VanDerWaalsContact O-N 3.12Å
261R38.3Very low34.3Very low244 Ų244157.2 Ų157.292%0.92184%0.835SS**SBendtrans-99.715.7-176-148.4174.6-173.7156.53.1115.4
262A33.4Very low33.6Very low86 Ų86156.6 Ų156.671%0.71182%0.82SS**  trans-13041.3-164.500000115.4
263F32.7Very low33.4Very low215 Ų215160.4 Ų160.494%0.94382%0.816SS**SBendtrans-151.989.9169.1-93-76.2000111.3
264A32.6Very low33.2Very low98 Ų98157 Ų15781%0.8181%0.805SS**  trans158.974.3151.500000112.9
265L31Very low33.1Very low173 Ų173157.4 Ų157.491%0.90680%0.799SS**  trans-145.6106.9161.6-77.1-179.2000109.6
266Q31.2Very low32.6Very low189 Ų189155.2 Ų155.288%0.88380%0.795SS**  trans-162.5143.3174.2-158.479.775.400110.2
267A28.5Very low32.1Very low87 Ų87155.8 Ų155.872%0.71979%0.794SS**  trans71.1102.2-172.500000114.2
268H30Very low31.6Very low158 Ų158155.4 Ų155.473%0.73179%0.79SS**  52.1108.270.2-80.6-76.4000113.3
269E28.1Very low30.9Very low169 Ų169151.9 Ų151.979%0.7979%0.785SS**  73.812667.7-77.2-163.8134.300115.2
270A29.2Very low30.3Very low91 Ų91147.8 Ų147.875%0.75278%0.776SS**  170.515712400000113.7
271F26.9Very low29.7Very low196 Ų196144.4 Ų144.486%0.8677%0.77SS**  trans68.8146.9160.8-106.7-109000119.4
272E29.3Very low29.2Very low123 Ų123137.3 Ų137.358%0.57576%0.764SS**  cis-168.2127.4-47.1-118.3-123.1124.300107.4
273K27.3Very low28.9Very low156 Ų156137.4 Ų137.468%0.67877%0.773SS**  trans51.7121.4132.2169.1-171.3175.6-1760121
274S31.6Very low28.8Very low97 Ų97130.6 Ų130.668%0.67876%0.763SS**  -176.3136.2117.4-86.90000115.1
275K30.8Very low28.8Very low187 Ų187135.2 Ų135.281%0.81377%0.765SS**  trans57.4112.9151.1-60.6169.8-176.2173.50118
276S25.4Very low28.9Very low103 Ų103133.9 Ų133.972%0.7275%0.754SS**  72.7121.552.981.60000115.7
277V27.3Very low29.1Very low121 Ų121131.3 Ų131.373%0.73375%0.747SS**  trans164.2110.3130152.40000111.8
278M27.5Very low29.4Very low158 Ų158131.6 Ų131.678%0.77874%0.743SS**  trans58.6137.6152.3-49.6-55.1112.800119.5
279S24.8Very low29.6Very low103 Ų103131.3 Ų131.372%0.7275%0.747SS**  71.1131.250.6-137.50000112.2
280V28.4Very low29.9Very low113 Ų113126.5 Ų126.569%0.68574%0.743SS**  cis-165.4171.816.876.30000113.5
281H29.4Very low30.3Very low166 Ų166129.1 Ų129.177%0.76974%0.744SS**  trans70.4138.2166.4-77.263.1000118.1
282A27.4Very low30.9Very low95 Ų95125.1 Ų125.179%0.78573%0.732SS**  cis107.1131.33.800000118.1
283G28.6Very low31.2Very low88 Ų88125.6 Ų125.691%0.90774%0.738SS**  trans94.7137.8176.600000113.9
284G29.8Very low31.5Very low71 Ų71123.7 Ų123.773%0.73274%0.74SS**  cis-134.5170.7-9.700000109.8
285K32.7Very low31.6Very low195 Ų195124.9 Ų124.985%0.84874%0.743SS**  50.7131.168.9-95.6-168.2175.5-169.80113.1
286E33Very low32.1Very low145 Ų145127.3 Ų127.368%0.67875%0.747SS**  cis-166.8158.919.855.3-160.968.100114.8
287N34.4Very low32.4Very low136 Ų136129.3 Ų129.373%0.72776%0.755SS**  trans63.4150.1154.7-53-17.1000118.8
288S36.4Very low32.7Very low92 Ų92131.5 Ų131.564%0.64376%0.761SS**  cis-155.5166-11-119.20000112.1
289D33Very low32.9Very low152 Ų152129.4 Ų129.481%0.81376%0.762SS**  trans-19.4153.1146.7-31-95.5000115.8
290G34.9Very low34.2Very low68 Ų68130 Ų13070%0.70176%0.764SS**  cis153.9130.12.200000112.1
291N37.3Very low34.3Very low147 Ų147132.4 Ų132.479%0.78677%0.773SS**  trans68.9155.5134-156.416.8000121.1
292N38.6Very low34.7Very low111 Ų111134.6 Ų134.659%0.59478%0.775SS**  trans49.7138.2153.566.7-109.9000121.7
293N36.5Very low35.4Very low133 Ų133135.9 Ų135.971%0.71178%0.775SS**  cis-174.9-171.7-4.852.124000111
294T34.3Very low35.5Very low116 Ų116134.9 Ų134.971%0.71277%0.765SS**  trans82.8102.3147.8-54.20000120.2
295T34.2Very low35.8Very low122 Ų122136.5 Ų136.575%0.74877%0.765SS**  trans-46.3141.3157.3-36.30000115.8
296R39.3Very low36Very low238 Ų238136.9 Ų136.990%0.89877%0.767SS**  143.5131.6129.5-79.9177.2-173.4-149.11.1112.9
297V33.1Very low36.4Very low146 Ų146135.6 Ų135.689%0.88577%0.771SS**  trans-168.2164.7138.7134.20000109
298L33.9Very low36.5Very low166 Ų166136 Ų13687%0.86977%0.772SS**  trans-95.5153.7-166.7-62.7146.3000113.4
299S30.2Very low36.5Very low114 Ų114137.4 Ų137.480%0.79778%0.779SS**  trans-76.1174.7156.7-51.80000110.5
300P53.5Low36.7Very low117 Ų117134.7 Ų134.776%0.7677%0.772SS**  cis-135.7171.25.442.6-26.8000116.2
301D28.9Very low36.8Very low163 Ų163136.9 Ų136.987%0.87277%0.768SS**  -159.4170.8127.4-130.9-37.6000113.4
302R37.7Very low36.7Very low212 Ų212138.3 Ų138.380%0.878%0.775SS**  trans-115.7163.9-176.3-141.4157.2178.5-100.6-2.6108.9
303P42Very low37.1Very low122 Ų122140.8 Ų140.879%0.79278%0.781SS**  cis-142160.119.342.4-22.9000119.5
304G31.9Very low37.6Very low67 Ų67140.4 Ų140.469%0.69179%0.786SS**  trans-161148.716500000110.4
305S36.4Very low38.5Very low105 Ų105142.8 Ų142.873%0.73479%0.786SS**  trans-101.5134.3-179.5-1790000111
306F35.8Very low39.5Very low202 Ų202143.9 Ų143.989%0.88679%0.786SS**  trans-170.1164.1145-88.9-48.4000109.7
307P42.3Very low40.1Very low119 Ų119144.1 Ų144.177%0.77379%0.787SS**  trans-89.4159-153.934.8-38.4000116.1
308L35.6Very low40.8Very low144 Ų144141.1 Ų141.175%0.75477%0.772SS**  trans-105.2120.3175.9175.671.1000111.2
309P36.6Very low41.8Very low122 Ų122141.4 Ų141.479%0.79277%0.774SS**  trans-85.3124.815532.5-27.6000109.2
310S37.1Very low43.2Very low94 Ų94140.1 Ų140.166%0.65777%0.77SS**  trans-134.8163.2176.267.20000112.1
311N37.2Very low42.9Very low114 Ų114143.2 Ų143.261%0.6178%0.775SS**  trans74.363.4170.9-164.328.4000117.4K313N311-K313 PolarHBondContact O-N 3.47Å; N311-K313 WeakPolarHBondContact OD1-CD 3.49Å; N311-K313 WeakPolarHBondContact OD1-CG 3.35Å
312N34.8Very low43.7Very low177 Ų177142.4 Ų142.495%0.94778%0.776SS**  trans-80.2100.9153.2-85.2-11.1000109.9
313K48.6Very low43.7Very low163 Ų163136.5 Ų136.571%0.70977%0.772SS**  trans-116.3137.5163.9-75.1177.7-177.2-177.20109N311 K315N311-K313 PolarHBondContact O-N 3.47Å; N311-K313 WeakPolarHBondContact OD1-CD 3.49Å; N311-K313 WeakPolarHBondContact OD1-CG 3.35Å; K313-K315 PolarHBondContact O-N 3.25Å
314P46Very low43.7Very low126 Ų126137.9 Ų137.982%0.81878%0.779SS**  trans-64.1110.4178.625.9-33.2000110I316P314-I316 PolarHBondContact O-N 3.48Å
315K52.8Low43.6Very low166 Ų166140 Ų14072%0.72278%0.783SS**  trans-82.899.8-169.3-160.8175.2-177.6-174.90110.8K313 W317K313-K315 PolarHBondContact O-N 3.25Å; K315-W317 PolarHBondContact O-N 3.05Å
316I55Low44.3Very low144 Ų144140.9 Ų140.974%0.73879%0.786SS**  trans-69.7113-179.9-51169.6000109.5P314P314-I316 PolarHBondContact O-N 3.48Å
317W51.7Low44.1Very low244 Ų244139 Ų13992%0.92479%0.785SS**  trans43.374.2159.6-65.361.9000116K315K315-W317 PolarHBondContact O-N 3.05Å
318S48.5Very low43.6Very low82 Ų82138.1 Ų138.157%0.57378%0.782SS**  trans-108.8111.8165.4-55.90000109.6
319L55.8Low43.6Very low172 Ų172136.8 Ų136.890%0.90179%0.785SS**  trans-113.566.4-173.2-158.1145.2000110.8
320A58.7Low43.5Very low88 Ų88135.8 Ų135.873%0.72778%0.781SS**  trans-159.7162.7171.700000109.3
321E48.2Very low43.4Very low182 Ų182140.5 Ų140.585%0.8579%0.792SS**  trans104.435.8176-55.8-175.913100118.9
322T44.5Very low43.3Very low145 Ų145144.3 Ų144.389%0.8980%0.804SS**  trans-140.491.4154.4570000112.5
323A39Very low43.8Very low88 Ų88141.1 Ų141.173%0.72779%0.792SS**  trans-155.3147167.200000110.1
324T40.5Very low43Very low151 Ų151139 Ų13993%0.92680%0.798SS**  trans67.5141.9-160.376.70000112.9
325S30.8Very low42.8Very low111 Ų111138.6 Ų138.678%0.77680%0.798SS**  cis-136.1171.32.758.70000111.5
326P50.6Low42.5Very low125 Ų125136.7 Ų136.781%0.81280%0.803SS**  trans-106.4154.9-176.238.6-32.1000114.7
327D31.2Very low41.4Very low161 Ų161136 Ų13686%0.86181%0.809SS**  trans-159.5171.1134.7-1619.6000110.6
328S32.9Very low40.7Very low101 Ų101128.6 Ų128.671%0.70680%0.8SS**  trans-144.8126.5-169.661.20000115.2
329S34.4Very low40.7Very low116 Ų116130.8 Ų130.881%0.81181%0.812SS**  trans-168.3151.1161.553.20000109.4
330S34.5Very low39.6Very low101 Ų101126 Ų12671%0.70681%0.805SS**  cis-161.2-178.7-13.353.10000110.7
331Q34.8Very low38.4Very low193 Ų193126 Ų12690%0.90281%0.805SS**  trans87.4143.4166.1-50.7-158.215.500120
332K35.6Very low37.6Very low195 Ų195124.8 Ų124.885%0.84880%0.804SS**  trans-169.4168.1-178-159.5-155.4174.5-177.10106.3
333P46.2Very low37.2Very low109 Ų109122.2 Ų122.271%0.70879%0.792SS**  -106.2171.8-76.438-25.6000112.3
334S31.6Very low37Very low119 Ų119125.2 Ų125.283%0.83280%0.796SS**  trans-153.6139.1152.352.40000112.7
335S41.9Very low36.9Very low117 Ų117126.7 Ų126.782%0.81879%0.792SS**  trans-95.6164.8159.1-47.50000108.7
336P45.5Very low37.9Very low127 Ų127125.7 Ų125.783%0.82578%0.783SS**  trans-130.9152.2140.533.5-22000113.5
337C32Very low37.2Very low129 Ų129125.4 Ų125.487%0.87278%0.784SS**  trans-98.5171.4162.5-164.90000109.4
338A37.3Very low37.5Very low88 Ų88122.2 Ų122.273%0.72778%0.78SS**  trans-73.6163.1-173.300000115
339P48.3Very low38.4Very low128 Ų128122 Ų12283%0.83178%0.776SS**  -128.716412537.6-30.1000111.8
340G32.3Very low38.6Very low72 Ų72124.9 Ų124.974%0.74278%0.776SS**  cis164.6-165.9-3.300000112.4
341A33.5Very low38.8Very low89 Ų89127.6 Ų127.674%0.73678%0.778SS**  trans90.5120.5165.400000121.5
342N32.5Very low38.9Very low156 Ų156125.1 Ų125.183%0.83477%0.769SS**  trans71143.5143.4-57.3-5.7000121.1
343S34.9Very low39.1Very low90 Ų90123.8 Ų123.863%0.62977%0.766SS**  cis-170.9143.8-17.3510000113.7
344N34.8Very low38.9Very low151 Ų151123.5 Ų123.581%0.80776%0.763SS**  trans68.3107.7149.4-57.9-8.6000123.2
345H39.7Very low39.3Very low182 Ų182126.4 Ų126.484%0.84376%0.763SS**  58.1151.2111-135.9-124.1000121.5
346P51Low39.7Very low91 Ų91126.6 Ų126.659%0.59176%0.761SS**  cis-135.1-169.8-33.138.8-21.3000115.5
347S36Very low39.1Very low118 Ų118125.1 Ų125.183%0.82576%0.759SS**  trans95.7130.1149.6-63.30000120.1
348A38.3Very low39.8Very low94 Ų94128.5 Ų128.578%0.77776%0.76SS**  trans-111.7178.2171.500000108.8
349P52.3Low40.4Very low97 Ų97132.4 Ų132.463%0.6377%0.767SS**  cis-127.61792.942-26.9000114.2
350H38.6Very low40.2Very low176 Ų176131.5 Ų131.582%0.81576%0.761SS**  -179.1163.7119.1-92.3-64.9000112.4
351Q38.3Very low40.6Very low159 Ų159133 Ų13374%0.74376%0.76SS**  trans-71.9150.3-160.3-85.2170.1-63.300119
352I36.8Very low41Very low140 Ų140137.8 Ų137.872%0.71877%0.767SS**  trans87.4145.2135.1-72.7165.8000120.9
353Q38.8Very low41.4Very low167 Ų167134 Ų13478%0.7877%0.765SS**  trans82.583.9163.7-89.3174.60.500122.5
354T41.8Very low41.6Very low104 Ų104137.9 Ų137.964%0.63878%0.778SS**  66.1111.1117.152.80000123
355H41.6Very low41.7Very low180 Ų180141.2 Ų141.283%0.83378%0.781SS**  trans79.9136.5144.8-56.5-53.4000120.2
356P49.1Very low41.7Very low120 Ų120138.3 Ų138.378%0.77978%0.776SS**  trans-114177.8-168.644.1-37.1000116.1
357A34.2Very low41.3Very low96 Ų96138.7 Ų138.779%0.79378%0.78SS**  trans76.191.4150.400000119.7
358F45.7Very low41.7Very low201 Ų201141.3 Ų141.388%0.88278%0.779SS**  trans-69.3146.2136.1-80.6-99.8000110.1
359L49.6Very low41.6Very low169 Ų169144.9 Ų144.989%0.88578%0.783SS**  -156.2158.2122.4-85.7-163000109.7
360P44.6Very low40.8Very low109 Ų109142.7 Ų142.771%0.70878%0.778SS**  trans-117-178.7-162.838.7-25.4000115.9
361S40.8Very low41.3Very low103 Ų103144 Ų14472%0.7278%0.781SS**  trans63.9115.3172.9690000118.2
362H40.8Very low41.6Very low191 Ų191146 Ų14688%0.88479%0.788SS**  -151.2146.6101.5-90.2-72.6000108
363G42Very low41.6Very low77 Ų77148.4 Ų148.479%0.79480%0.796SS**  trans-85.5144-170.900000113.8
364L39.3Very low41.7Very low171 Ų171146.9 Ų146.990%0.89579%0.793SS**  trans-120.1125166.1-69177.1000109.6
365Y36.7Very low41.9Very low221 Ų221152.4 Ų152.487%0.86780%0.802SS**  trans-88.7116.5-175-166-106.4000109.9C367Y365-C367 VanDerWaalsContact CD1-SG 3.55Å; Y365-C367 WeakPolarHBondContact CE1-SG 3.44Å
366T39.8Very low41.6Very low121 Ų121149 Ų14974%0.74279%0.794SS**  trans-100.192-176.359.60000111.8Q368T366-Q368 PolarHBondContact O-N 3.36Å
367C42.3Very low40.9Very low98 Ų98150.5 Ų150.566%0.66280%0.796SS**  trans-71.1115.9172.1-66.40000111.1Y365Y365-C367 VanDerWaalsContact CD1-SG 3.55Å; Y365-C367 WeakPolarHBondContact CE1-SG 3.44Å
368Q44.4Very low41.1Very low174 Ų174149.7 Ų149.781%0.81380%0.797SS**  trans-101.384.6173.7-76-76.813.500111T366T366-Q368 PolarHBondContact O-N 3.36Å
369I34.9Very low40.7Very low169 Ų169144.6 Ų144.687%0.86779%0.791SS**  trans-163.4143.9167.1-132.870.5000107.9
370G36.3Very low40.2Very low50 Ų50146.4 Ų146.452%0.51579%0.792SS.*  cis-170.5149.1-10.600000110.5
371K49.7Very low40.3Very low204 Ų204149 Ų14989%0.88780%0.8SS**  trans1112.1172.2-60.6174.4-177.8175.40118.2
372F43.3Very low40Very low201 Ų201147.6 Ų147.688%0.88280%0.801SS**  trans-120.8151.7151.3-80.3-80.4000110.7
373H37.8Very low40Very low190 Ų190147 Ų14788%0.8880%0.799SS**  trans-79.5134.8-167.9-71.786.2000112.6
374N41.7Very low39.6Very low135 Ų135151.3 Ų151.372%0.72280%0.804SS**  trans-88.3120.2175.4179.82.5000109.9
375W44.8Very low39.3Very low221 Ų221148.2 Ų148.284%0.83780%0.797SS**  trans-134.2160.7159.786.3-43000110.3
376T34.9Very low39.7Very low109 Ų109145.7 Ų145.767%0.66980%0.797SS**  trans58.953.1-178.272.50000116.7
377N36Very low39.9Very low151 Ų151147.9 Ų147.981%0.80780%0.803SS**  trans-12770.9151.1-93.9-70.6000110.3
378G37.9Very low39.5Very low79 Ų79150.5 Ų150.581%0.81481%0.811SS**  trans-92.8103.1172.300000110.4
379A36.9Very low39.3Very low93 Ų93148.1 Ų148.177%0.76981%0.808SS**  trans-75.4133.9171.800000110.3
380F39.5Very low39.3Very low207 Ų207150.7 Ų150.791%0.90881%0.807SS**  trans-120.6120.8164.7-133.1-85.8000109G382F380-G382 PolarHBondContact O-N 2.96Å
381L45.3Very low39.1Very low164 Ų164152.8 Ų152.886%0.85981%0.813SS**  trans-75.2120.3172.9-81.973.5000108.5
382G34.6Very low38.5Very low73 Ų73152 Ų15275%0.75381%0.81SS**  trans-133.2102.3168.900000108.8F380F380-G382 PolarHBondContact O-N 2.96Å
383Q41.4Very low38.3Very low180 Ų180150.8 Ų150.884%0.84181%0.812SS**  trans-66.8137.3177-69.7-179.3-24.200110.4
384N33.7Very low37.9Very low166 Ų166144.9 Ų144.989%0.88880%0.803SS**  trans-155.3114.3142.8-113.9-84.3000108.7
385S33.1Very low37.6Very low107 Ų107144.8 Ų144.875%0.74881%0.807SS**  trans-87.2141.1-174.9-68.90000112.2L387S385-L387 PolarHBondContact O-N 3.06Å
386L45.7Very low36.9Very low168 Ų168140.9 Ų140.988%0.8880%0.802SS**  trans-10.7114.8151.5-57.6169000115.7
387L42.7Very low36.9Very low166 Ų166142.3 Ų142.387%0.86980%0.801SS**  trans-138.5113.1142.9-79.4-175.4000109.8S385S385-L387 PolarHBondContact O-N 3.06Å
388N35.8Very low36.8Very low154 Ų154142.7 Ų142.782%0.82480%0.798SS**  trans-114.9110.9169.6173.115.9000107.4
389V39.4Very low36.5Very low123 Ų123146.6 Ų146.675%0.74580%0.795SS**  trans-140.3137.5174.7-154.50000108.8
390R35.4Very low36.3Very low224 Ų224151.1 Ų151.185%0.84580%0.799SS**  trans-136.7154.6179.4-108-172171-152.2-1.6110.1
391S32.2Very low36Very low93 Ų93148.5 Ų148.565%0.6579%0.789SS**  trans74.2153.1171.4-34.70000114.2
392F35.6Very low35.4Very low188 Ų188147.7 Ų147.783%0.82578%0.781SS**  cis-138-169.97.6-102.5-63.5000111.6
393L39Very low35.4Very low176 Ų176150.9 Ų150.992%0.92178%0.776SS**  trans74.9140.6-173.8-62.378.3000114.5
394G30.6Very low35Very low66 Ų66149.2 Ų149.268%0.6877%0.768SS**  cis163.1149.3-1300000114.3
395V35Very low35.1Very low133 Ų133148.7 Ų148.781%0.80676%0.76SS**  trans71.2112.7158.6179.10000118.9
396N30.3Very low35Very low139 Ų139148 Ų14874%0.74376%0.755SS**  trans39.3144.8135.1-63.5-12.2000121.5
397Q35.6Very low34.4Very low138 Ų138144.9 Ų144.965%0.64575%0.747SS**  cis162.9156.17.6167.1173.15.300107.6
398H31.9Very low33.9Very low159 Ų159142 Ų14274%0.73674%0.741SS**  trans65.3138.8165.6-74.9-44.9000123.1
399H33.2Very low33.9Very low162 Ų162140 Ų14075%0.7574%0.739SS**  trans-73.5167.6169.9-5948.4000111.7
400H32.1Very low33.7Very low187 Ų187143 Ų14387%0.86674%0.744SS**  -165.1157.9117-108.3-76.2000112.9
401H32.4Very low34.3Very low152 Ų152137.5 Ų137.570%0.70474%0.738SS**  trans-89.5152.8170.5-72.511.9000111.4
402H33.6Very low34.2Very low148 Ų148140.6 Ų140.669%0.68575%0.746SS**  170.8144.9103-98.1-75.7000116.8
403H34.6Very low34Very low140 Ų140136.9 Ų136.965%0.64874%0.744SS**  trans54.9121139.7-71-33.9000126.1
404H33.9Very low33.7Very low144 Ų144133.2 Ų133.267%0.66774%0.739SS**  73.9131.3122.4-78.5-63.1000125.1
405H34.3Very low33.9Very low156 Ų156137.5 Ų137.572%0.72274%0.741SS**  trans87.4113.7133.2-89.5-63.2000123.4
406S31.4Very low34Very low93 Ų93138.3 Ų138.365%0.6574%0.736SS**  101.5132.8125-63.50000122.3
407S32.8Very low34.2Very low102 Ų102138.3 Ų138.371%0.71373%0.731SS**  trans61.796.1141.856.90000122.4
408S33.2Very low34.2Very low106 Ų106138 Ų13874%0.74173%0.73SS**  66140.1120.7610000124.2
409S34.8Very low34.1Very low110 Ų110137.2 Ų137.277%0.76973%0.727SS**  trans78112.2153.834.50000121.7
410H35.1Very low34.8Very low186 Ų186135.2 Ų135.286%0.86173%0.728SS**  trans-18.8156146-64.9-56.7000118.1
411P47.7Very low34.9Very low109 Ų109131.8 Ų131.871%0.70872%0.721SS**  cis-153.7164.947.543.2-22.6000121.8
412L30.3Very low35Very low158 Ų158129.4 Ų129.483%0.82772%0.721SS**  trans54.9155.5141.7-70.6166.3000124
413S32.3Very low34.8Very low111 Ų111129.1 Ų129.178%0.77673%0.729SS**  trans71.4122.2175.9-5.20000115.1
414A33Very low34.6Very low98 Ų98128.9 Ų128.981%0.8174%0.737SS**  76.4138.853.200000112.7
415Q34.7Very low34.6Very low157 Ų157128.7 Ų128.773%0.73475%0.746SS**  cis-160143.821.1-171.4-177.2-59.900113.5
416Q36.5Very low34.5Very low149 Ų149126.4 Ų126.470%0.69675%0.748SS**  trans65160.3155.8-85.2176.5-5.400119.3
417Q34Very low35.4Very low139 Ų139127.9 Ų127.965%0.6576%0.755SS**  cis-155.3176.312-131.6177.978.900109.2
418Q36.8Very low35.5Very low132 Ų132130 Ų13062%0.61776%0.763SS**  cis-159.4134.21.2-161.7-161.2107.500111.6
419Q30.3Very low35.5Very low142 Ų142129.3 Ų129.366%0.66476%0.764SS**  trans62.9165.7149.5-83.7-162.8106.100122.3
420P47.2Very low35.3Very low120 Ų120128.5 Ų128.578%0.77976%0.764SS**  cis-118.1-178.81142.3-29.6000117.6
421T33.6Very low35.1Very low116 Ų116125.3 Ų125.371%0.71276%0.762SS**  trans-137.6-173.7-174.8670000109.9
422S35.9Very low34.3Very low101 Ų101125.1 Ų125.171%0.70677%0.77SS**  cis-160.6156.39.347.50000112.5
423V28.6Very low34.4Very low142 Ų142122.5 Ų122.586%0.86177%0.772SS**  trans176.8164.3144.2-89.10000107.4
424V31.2Very low34.5Very low136 Ų136125.2 Ų125.282%0.82478%0.777SS**  cis-118.2-153.4-3.5-150.20000109.1
425V33.5Very low34.6Very low139 Ų139124.9 Ų124.984%0.84277%0.768SS**  trans-141.6151-176.9-176.20000112.6
426S31.8Very low34.6Very low109 Ų109124.1 Ų124.176%0.76277%0.769SS**  trans-85.9169.2-179.8-45.50000115.1
427P51.1Low34.3Very low124 Ų124123 Ų12381%0.80577%0.768SS**  trans-104.6160168.638.5-32.3000114.1
428V33.3Very low34.5Very low146 Ų146121.1 Ų121.189%0.88577%0.77SS**  trans-154.2134.6167.5118.50000114
429A32.9Very low34.4Very low92 Ų92124.5 Ų124.576%0.7678%0.783SS**  trans49.4125.8152.300000125.1
430A31.1Very low34.6Very low93 Ų93121.5 Ų121.577%0.76978%0.782SS**  114.8136.3119.700000122.8
431S30.7Very low34.7Very low118 Ų118121.3 Ų121.383%0.82578%0.781SS**  trans89.691147.1-61.50000123.7
432A31.2Very low34.8Very low105 Ų105120 Ų12087%0.86878%0.782SS**  66.3119120.800000123.9
433A32.4Very low34.6Very low104 Ų104122.8 Ų122.886%0.8679%0.789SS**  trans-157148.3143.300000113.6
434L34.7Very low34.9Very low168 Ų168120.9 Ų120.988%0.8878%0.778SS**  trans-51.7162174.8-63.2157.6000115.1
435S34.5Very low35.1Very low90 Ų90123.5 Ų123.563%0.62978%0.78SS**  cis-166.8158.24.3-112.70000112.9
436N34.8Very low34.9Very low142 Ų142122.4 Ų122.476%0.75978%0.779SS**  trans64153.6161.6-67.845.1000118.7
437D31.6Very low35.6Very low124 Ų124123.1 Ų123.166%0.66378%0.781SS**  cis-140.61677.9-149.6-89.4000114.1
438S37.3Very low34.9Very low101 Ų101126.9 Ų126.971%0.70679%0.785SS**  trans-16.8141.2174.9-46.50000119.1
439K34.5Very low34.8Very low203 Ų203127.6 Ų127.688%0.88378%0.778SS**  -179.8149.560179.1168.4177.7-1790112.5
440A34.8Very low34.9Very low79 Ų79129.9 Ų129.965%0.65378%0.776SS**  trans-111.6179.9174.500000110.6
441P50.2Low35Very low116 Ų116132.2 Ų132.275%0.75377%0.771SS**  cis-141.4170.412.144.5-25.9000118.8
442A34.9Very low35.1Very low87 Ų87134.5 Ų134.572%0.71977%0.768SS**  trans35.6140138.500000123
443D32Very low35.1Very low161 Ų161135.9 Ų135.986%0.86176%0.757SS**  -143.9166.9111-130.5-33.1000111.2
444T35.1Very low35.1Very low102 Ų102140 Ų14063%0.62675%0.75SS**  trans-127.6154-166.655.60000115.2
445H33.9Very low35Very low190 Ų190137.1 Ų137.188%0.8874%0.744SS**  -179.9157.5119.1-97.5-69.2000113.5
446S30.5Very low34.9Very low117 Ų117139.6 Ų139.682%0.81875%0.75SS**  trans-130.5162.6-173.9-85.90000113.2
447P46.6Very low35.2Very low123 Ų123137.6 Ų137.680%0.79975%0.747SS**  trans-98.4168.7-163.338.4-38.5000117.5
448K36Very low36Very low204 Ų204136.9 Ų136.989%0.88775%0.75SS**  trans-151.2151162-57.8-178.3-175176.50108.7
449H31Very low36.5Very low160 Ų160138.4 Ų138.474%0.74176%0.757SS**  cis96.591.47.6-163.9-65.5000118.3
450I35.2Very low36.6Very low140 Ų140134.5 Ų134.572%0.71875%0.75SS**  trans-166.8118.9143.8-122.372.6000106
451E32.8Very low36.8Very low143 Ų143139 Ų13967%0.66876%0.763SS**  60.4117.289.2-64.2-161.7136.400118.9
452H33Very low36.2Very low166 Ų166142.8 Ų142.877%0.76977%0.767SS**  -174148.2109.4-112.755.1000114
453E32.5Very low36.2Very low133 Ų133144.2 Ų144.262%0.62177%0.772SS**  trans20.9159.3153.8-59.6-72.981.400123
454R31.7Very low36.3Very low192 Ų192142 Ų14273%0.72577%0.769SS**  cis175.5150.2-27.5-174.1172178.7170.12.8109.5
455S31.7Very low36.4Very low106 Ų106146.6 Ų146.674%0.74178%0.781SS**  trans68.5155.5171.31.10000115.8
456D33Very low36.8Very low142 Ų142149 Ų14976%0.75978%0.782SS**  cis-150.3159.5-8.1-154.9-11.8000111.4
457S42.1Very low37.4Very low101 Ų101148.2 Ų148.271%0.70677%0.774SS**  trans4.4152.1162.2-60.20000123.7
458P47.3Very low36.8Very low109 Ų109150.9 Ų150.971%0.70878%0.779SS**PPolyproline II helixtrans-87.7160.3-170.236.5-38.3000115.9
459P48.2Very low36.8Very low132 Ų132148.4 Ų148.486%0.85777%0.771SS**PPolyproline II helixtrans-71.8142.317330.5-34.9000112.7
460T36.3Very low36.9Very low121 Ų121147.3 Ų147.374%0.74277%0.771SS**PPolyproline II helixtrans-96.5154.7-171.946.10000114.4
461L39.5Very low36.8Very low175 Ų175152.7 Ų152.792%0.91678%0.782SS**PPolyproline II helixtrans-52.9133.2170.1-66.1165.9000111.8
462K37.3Very low37Very low194 Ų194151.3 Ų151.384%0.84379%0.788SS**  trans-133.8117160.5-72.9-171.1178.3175.90111.4
463S34.2Very low37.1Very low117 Ų117148.9 Ų148.982%0.81879%0.79SS**  trans-67.4142.1169176.20000110.5
464S35.1Very low37.6Very low114 Ų114150.7 Ų150.780%0.79780%0.803SS**  trans-128.297.9169.3-169.50000110.1
465F37.2Very low38.3Very low200 Ų200147.7 Ų147.788%0.87781%0.808SS**  trans-159125.2167.8-111.1-74.4000109.1
466R41.8Very low38.4Very low241 Ų241148 Ų14891%0.90981%0.81SS**  trans-168.2159.9142.2-107173.3-170.2-109.5-2.8110.1
467P42.1Very low38.4Very low100 Ų100146.6 Ų146.665%0.64981%0.812SS**  trans-95.9169.3-154.137.8-38.6000114.3
468I34.1Very low38.1Very low178 Ų178146.2 Ų146.291%0.91382%0.815SS**  trans-102.9135.7155.7-63.3174.6000107.1
469Q37Very low37.4Very low152 Ų152152.6 Ų152.671%0.7183%0.825SS**  trans-139.3147.6-178.4-167.5169.4-6.100110.1
470D32.7Very low36.9Very low138 Ų138150.9 Ų150.974%0.73882%0.816SS**  trans54.6114.3171.9-60.1-23.6000119.8
471R33.3Very low37.4Very low252 Ų252150.3 Ų150.395%0.95181%0.814SS**  -148.5132.6110.1-127.6174.2179.1-118.4-3113.3
472S36.7Very low37.3Very low114 Ų114150.4 Ų150.480%0.79781%0.81SS**  trans-97132.4-178.648.80000112.1
473S35.5Very low37.1Very low115 Ų115147.5 Ų147.580%0.80480%0.804SS**  trans-167.4113.3158.154.20000112
474L42.1Very low37.3Very low171 Ų171146.8 Ų146.890%0.89581%0.805SS**  trans-73.7158.5151.2-66.7167.4000108.4
475P48.1Very low37.6Very low129 Ų129146.1 Ų146.184%0.83880%0.796SS**  -137.4179.393.137.9-25.5000113.9
476S33.5Very low38.1Very low112 Ų112145.9 Ų145.978%0.78380%0.798SS**  trans-106.5153-173.2-175.10000113.1
477S33Very low38.1Very low113 Ų113145.4 Ų145.479%0.7980%0.796SS**  trans56.9120.2152.5-167.50000120.5
478A34.2Very low38.3Very low94 Ų94147.7 Ų147.778%0.77781%0.807SS**  trans-165.4115.9139.200000114.9
479R33.9Very low38.8Very low243 Ų243146.5 Ų146.592%0.91780%0.802SS**  66.9129.7125.6-163.2172.3-170.5-179.13.9122.4
480S37.3Very low39.1Very low95 Ų95145.5 Ų145.566%0.66481%0.807SS**  trans-97.2157.3162.71660000112.5
481P46.1Very low39.8Very low109 Ų109143.8 Ų143.871%0.70881%0.812SS**  -122.7159.5123.740.4-33.1000109.8
482Q37.5Very low40.5Very low178 Ų178140.4 Ų140.483%0.83281%0.812SS**  cis63.6138.744.9-62.9-162.3-12.900113.2
483D34.5Very low41Very low133 Ų133140.9 Ų140.971%0.71182%0.815SS**  cis-146.7160.59.9-168.1-6.7000110.2
484A37.8Very low41.8Very low101 Ų101141 Ų14184%0.83582%0.816SS**  trans-156.567.2174.600000112.9
485T40.7Very low42.2Very low101 Ų101141.1 Ų141.162%0.6284%0.841SS**  trans-54.7144.1178.456.70000115.9
486Q48.3Very low42Very low194 Ų194141.7 Ų141.791%0.90784%0.841SS**  trans-137.3152.9134-75.3-155.93.100110.6
487R40.9Very low42.4Very low232 Ų232143.3 Ų143.388%0.87585%0.845SS**  trans-124.9135.9-177.2-61.6175.6176.9-179.2-1.7109.9
488V46.7Very low42.9Very low147 Ų147144.9 Ų144.989%0.89185%0.848SS**  trans-132.9139158.8-176.10000110.3
489L44.8Very low43.4Very low153 Ų153147.9 Ų147.980%0.80185%0.852SS**  trans-69.8143.6-162.3-62.9159.8000115.8
490T43.4Very low44Very low131 Ų131142 Ų14280%0.80485%0.848SS**  40114123.5-45.20000120.3
491A48Very low44.5Very low103 Ų103145.1 Ų145.185%0.85186%0.86SS**  trans-154.5132.7130.600000111
492L48.5Very low44.4Very low180 Ų180147.7 Ų147.794%0.94287%0.871SS**  trans-106.1139.3162.7-91.1164.2000107.9
493S46.7Very low44.9Very low124 Ų124145.4 Ų145.487%0.86787%0.874SS**  trans-154.1141.6149.7-164.90000109.6
494S52.1Low45.8Very low119 Ų119146.4 Ų146.483%0.83289%0.887SS**  trans-129.3135173.6-173.90000107.9
495A51.3Low46.5Very low172 Ų172150.5 Ų150.5100%1.42189%0.892SS**  trans-148.90167.600000107.6

Retrieved 495 of 495 residues in 110.6 ms (Link to these results)