A0A087XP32_POEFO Loading...

Proline rich mitotic checkpoint control factor

AlphaFold DB , UniProt , Accession A0A087XP32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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
1M44.2Very low50.4Low248 Ų248142.9 Ų142.9100%1.22284%0.835SS**  0100.80-68.3160.377.100107.4
2S49.8Very low50.4Low111 Ų111137.9 Ų137.978%0.77681%0.813SS**  trans-118.4112.6173.252.90000107.9V4S2-V4 PolarHBondContact O-N 2.9Å
3L48.3Very low50.1Low175 Ų175138.7 Ų138.792%0.91681%0.812SS**  trans-62.8116.4173.9-100.578.9000109
4V60.1Low49.8Very low118 Ų118137 Ų13772%0.71581%0.811SS**  trans-90.8109.6162.5177.50000106.4S2 Y6S2-V4 PolarHBondContact O-N 2.9Å; V4-Y6 PolarHBondContact O-N 3.08Å
5A55.9Low49.4Very low95 Ų95138 Ų13879%0.78580%0.804SS**  trans-72115.7174.300000109.2G7A5-G7 PolarHBondContact O-N 3.04Å
6Y55.8Low49Very low217 Ų217138.1 Ų138.185%0.85180%0.795SS**  trans-75.1117.6167-85.7-100.4000108.6V4 S8V4-Y6 PolarHBondContact O-N 3.08Å; Y6-S8 PolarHBondContact O-N 3.22Å
7G52.6Low48.2Very low83 Ų83137.4 Ų137.486%0.85679%0.793SS**  trans-65.995.6164.500000109.5A5 S9A5-G7 PolarHBondContact O-N 3.04Å; G7-S9 PolarHBondContact O-N 3.15Å
8S44.5Very low47.9Very low108 Ų108135.5 Ų135.576%0.75579%0.79SS**  trans-8788.9164.7-165.70000107.4Y6 D10Y6-S8 PolarHBondContact O-N 3.22Å; S8-D10 VanDerWaalsContact C-N 3.27Å; S8-D10 PolarHBondContact O-N 2.84Å; S8-D10 VanDerWaalsContact O-N 3.15Å
9S47.7Very low47.1Very low118 Ų118135.4 Ų135.483%0.82579%0.791SS**  trans-82.185.2164-87.30000108.4G7 E11G7-S9 PolarHBondContact O-N 3.15Å; S9-E11 PolarHBondContact O-N 3.06Å
10D53.5Low46.6Very low120 Ų120134.7 Ų134.764%0.64279%0.794SS**  trans-7591.9156.5-173.882.4000107.1S8 S12S8-D10 VanDerWaalsContact C-N 3.27Å; S8-D10 PolarHBondContact O-N 2.84Å; S8-D10 VanDerWaalsContact O-N 3.15Å; D10-S12 VanDerWaalsContact C-N 3.28Å; D10-S12 PolarHBondContact O-N 2.8Å; D10-S12 PolarHBondContact OD2-OG 3.26Å
11E42Very low46.1Very low179 Ų179132.8 Ų132.884%0.83679%0.794SS**  trans-85.981170.9-164.570-151.600107.5S9 D13S9-E11 PolarHBondContact O-N 3.06Å; E11-D13 PolarHBondContact O-N 2.98Å
12S50.4Low45.5Very low83 Ų83125.7 Ų125.758%0.5877%0.774SS**  trans-72.4119.4173.6-85.70000111D10D10-S12 VanDerWaalsContact C-N 3.28Å; D10-S12 PolarHBondContact O-N 2.8Å; D10-S12 PolarHBondContact OD2-OG 3.26Å
13D46.4Very low44.9Very low148 Ų148124.9 Ų124.979%0.79178%0.775SS**  trans-56.4127.4166-167.522000110.9E11E11-D13 PolarHBondContact O-N 2.98Å
14S46.3Very low44.2Very low115 Ų115125.8 Ų125.880%0.80477%0.774SS**  trans-125.6114.1172.8540000110.4
15E43.7Very low43.4Very low152 Ų152125.6 Ų125.671%0.7178%0.778SS**  trans-79.4152.5173.8-70.9-131.7139.400112.4
16E42.3Very low42.8Very low139 Ų139130.6 Ų130.665%0.6578%0.782SS**  trans-12.9142.3169.646.5-115.466.400122.8
17T36.5Very low42.2Very low126 Ų126126.6 Ų126.677%0.77378%0.783SS**  177128.79936.30000115
18S42.3Very low41.8Very low104 Ų104128.8 Ų128.873%0.72779%0.785SS**  trans61.6127.3144.2-50.50000120.5
19T33Very low42.1Very low134 Ų134127.1 Ų127.182%0.82278%0.784SS**  -172.2140.571.743.60000113.2
20S37.7Very low42.4Very low121 Ų121124.9 Ų124.985%0.84678%0.78SS**  trans49112.1147.1-170.20000122.7
21A34.7Very low43.3Very low95 Ų95121.2 Ų121.279%0.78577%0.77SS**  173.5130.4107.800000113.6
22A32.7Very low44.7Very low98 Ų98120 Ų12081%0.8177%0.769SS**  trans20.3123.8152.900000123.2
23A37.5Very low45.6Very low95 Ų95124.3 Ų124.379%0.78578%0.778SS**  trans52.3109.5131.100000120.5
24E33.7Very low46.9Very low193 Ų193121.1 Ų121.190%0.90277%0.767SS**  171137.4100.8-89.7-167.4168.500110.3
25S43Very low48.1Very low115 Ų115124.2 Ų124.280%0.80477%0.766SS**  trans-69.8128.7-176.952.70000113.3
26K43.3Very low49.7Very low200 Ų200122.4 Ų122.487%0.8776%0.761SS**  trans-159.5128.7152.8-105.1162.2-170.4171.90110.5S28K26-S28 PolarHBondContact O-N 3.11Å
27P41.9Very low51Low133 Ų133121.5 Ų121.586%0.86477%0.767SS**  trans-77.7105.8174.830.2-31.1000109.9G29P27-G29 VanDerWaalsContact C-N 3.33Å; P27-G29 PolarHBondContact O-N 3.01Å; P27-G29 VanDerWaalsContact O-N 3.08Å
28S45.1Very low52.6Low129 Ų129119.7 Ų119.790%0.90277%0.765SS**  trans-77.484.7168.5-172.40000109.3K26K26-S28 PolarHBondContact O-N 3.11Å
29G51.2Low53.6Low72 Ų72120.9 Ų120.974%0.74277%0.77SS**  trans-9868174.400000111.5P27 G31P27-G29 VanDerWaalsContact C-N 3.33Å; P27-G29 PolarHBondContact O-N 3.01Å; P27-G29 VanDerWaalsContact O-N 3.08Å; G29-G31 VanDerWaalsContact C-N 3.33Å; G29-G31 PolarHBondContact O-N 3.39Å
30G54Low54.8Low71 Ų71124.8 Ų124.873%0.73278%0.776SS**  trans-88.461.1175.800000112.6
31G71.3Confident55.5Low43 Ų43123.9 Ų123.944%0.44378%0.776SS.*  trans-86.4154.2171.900000111.6G29 F33 S34G29-G31 VanDerWaalsContact C-N 3.33Å; G29-G31 PolarHBondContact O-N 3.39Å; G31-F33 PolarHBondContact O-N 3.31Å; G31-S34 PolarHBondContact O-N 3.08Å; G31-S34 PolarHBondContact O-OG 3.32Å
32L72.3Confident55.7Low155 Ų155125.3 Ų125.381%0.81278%0.78SS**G310 helixtrans-48.3-11.6-178.8-63.2166.5000116.1
33F69.7Low56Low172 Ų172124.6 Ų124.675%0.75478%0.782SS**G310 helixtrans-84.1-9.7176.2-61.2-77.7000114.1G31 F35 L36G31-F33 PolarHBondContact O-N 3.31Å; F33-F35 VanDerWaalsContact C-N 3.26Å; F33-F35 PolarHBondContact O-N 2.73Å; F33-L36 HydrophobicContact CD1-CD1 3.89Å; F33-L36 PolarHBondContact O-N 2.86Å
34S72.5Confident56.1Low81 Ų81126 Ų12657%0.56679%0.786SS**G310 helixtrans-74.4-14.2175.159.10000113.9G31 L36G31-S34 PolarHBondContact O-N 3.08Å; G31-S34 PolarHBondContact O-OG 3.32Å; S34-L36 VanDerWaalsContact C-N 3.33Å
35F72.6Confident56.2Low180 Ų180121.3 Ų121.379%0.78978%0.781SS**G310 helixtrans-86.8-1.9173.2-69.4-77.5000113.4F33F33-F35 VanDerWaalsContact C-N 3.26Å; F33-F35 PolarHBondContact O-N 2.73Å
36L75.9Confident56Low114 Ų114121 Ų12160%0.59779%0.785SS**SBendtrans-89.6133.3176.3-62.3176.8000110.3F33 S34 A38F33-L36 HydrophobicContact CD1-CD1 3.89Å; F33-L36 PolarHBondContact O-N 2.86Å; S34-L36 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.23Å
37P69.2Low55.5Low120 Ų120115.4 Ų115.478%0.77978%0.784SS**PPolyproline II helixtrans-63.5129.2172.424.9-31.2000109.9
38A71.1Confident55Low89 Ų89112.8 Ų112.874%0.73678%0.781SS**PPolyproline II helixtrans-59.5138.9178.500000111.1L36 K40L36-A38 PolarHBondContact O-N 3.23Å; A38-K40 PolarHBondContact O-N 3.19Å
39P63.3Low54.7Low128 Ų128116.2 Ų116.283%0.83178%0.779SS**PPolyproline II helixtrans-65.9130.9179.626.7-33.4000110.7A41P39-A41 PolarHBondContact O-N 3.2Å; P39-A41 VanDerWaalsContact O-N 3.14Å
40K58.1Low53.8Low216 Ų216120.6 Ų120.694%0.93978%0.781SS**  trans-65.3107.8177.7-80.3175.6161.8176.90110.7A38A38-K40 PolarHBondContact O-N 3.19Å
41A51.5Low52.9Low102 Ų102124.2 Ų124.284%0.84378%0.782SS**  trans-79.1119.8159.200000109P39P39-A41 PolarHBondContact O-N 3.2Å; P39-A41 VanDerWaalsContact O-N 3.14Å
42S40.7Very low51.2Low126 Ų126126.3 Ų126.388%0.88180%0.795SS**  trans-79.8126.7168.154.20000110.1
43G38.2Very low49.3Very low82 Ų82124.4 Ų124.485%0.84580%0.795SS**  trans130.299.7156.900000115.8
44S39.1Very low47.6Very low124 Ų124127.7 Ų127.787%0.86780%0.802SS**  trans-77.8146.2172.4178.10000112.3
45A35.8Very low45.7Very low96 Ų96127.9 Ų127.979%0.79381%0.809SS**  159.9138.5118.800000113.2
46A39.5Very low44Very low108 Ų108128 Ų12889%0.89381%0.809SS**  trans-86.8147.5169.500000111.8
47G32.7Very low42.1Very low83 Ų83129.6 Ų129.686%0.85682%0.818SS**  trans118.7116.3150.500000118.6
48G32Very low40.3Very low77 Ų77129.5 Ų129.579%0.79482%0.82SS**  trans97.8105.9133.600000121.7
49K37.4Very low38.5Very low201 Ų201130 Ų13087%0.87482%0.824SS**  trans49.6121.2139.1-68.6-172.3177.7-176.40123.4
50E32.9Very low37.1Very low165 Ų165128.3 Ų128.377%0.77182%0.821SS**  66.3133.7125-69.8-85.6166.700123.1
51I36Very low36.2Very low147 Ų147127.6 Ų127.675%0.75482%0.818SS**  trans92.2110.7150.3-60.5154.7000120.7
52A34Very low35.6Very low86 Ų86132 Ų13271%0.71182%0.821SS**  trans48.1125137.500000122.5
53S33.5Very low35.6Very low116 Ų116131.4 Ų131.481%0.81182%0.817SS**  149121.210760.50000114
54R34.3Very low35.9Very low240 Ų240134.4 Ų134.491%0.90682%0.819SS**  trans4.5118.2142.2-169.183.3160.6-168.6-4.8118
55A32.6Very low36.3Very low86 Ų86132.3 Ų132.371%0.71182%0.817SS**  155.6121.7114.800000114.7
56K36Very low36.9Very low182 Ų182129.9 Ų129.979%0.79180%0.801SS**  trans42.6124135.6-64.3-175.6177.3-179.60122.5
57N36.1Very low38Very low148 Ų148134.3 Ų134.379%0.79180%0.801SS**  trans70.7115.2131.8-63.21.4000121.2
58S32.6Very low39.3Very low118 Ų118137.7 Ų137.783%0.82580%0.799SS**  161.8112.7129.546.90000108.5
59A32.5Very low40.6Very low98 Ų98139.2 Ų139.281%0.8180%0.797SS**  76.8130.691.400000114.7
60A34.1Very low41.5Very low94 Ų94134.3 Ų134.378%0.77779%0.788SS**  trans76.6138170.700000116.2
61K38Very low43.4Very low201 Ų201132 Ų13287%0.87478%0.78SS**  cis-163.7139.28.8-117.6165.5-176178.60107.7
62E38.6Very low45.2Very low194 Ų194130.8 Ų130.891%0.90778%0.782SS**  trans-72.7142.8162.3-68.1168.7164.100109.8
63S42.8Very low47Very low114 Ų114136 Ų13680%0.79779%0.789SS**  trans-15086.4154.466.20000110.6
64T43.1Very low48.5Very low145 Ų145136.3 Ų136.389%0.8979%0.788SS**  trans-143.5108.1149.4-40.60000107.2
65G48.2Very low50.2Low79 Ų79134 Ų13481%0.81478%0.784SS**  trans-70.8139.1-175.200000111.9
66G47.9Very low51.9Low46 Ų46139.8 Ų139.847%0.47479%0.793SS.*  trans-147.8141.1164.100000107.3L68 S69G66-L68 PolarHBondContact O-N 3.45Å; G66-S69 PolarHBondContact O-N 3.43Å
67F62.4Low53.2Low200 Ų200140.5 Ų140.588%0.87779%0.791SS**THydrogen-bonded Turntrans-47.75.1-171.6-89.2-103.3000118.5
68L59.6Low54.4Low155 Ų155140.5 Ų140.581%0.81280%0.797SS**THydrogen-bonded Turntrans-100.7-5.5-178.9-57.7176.8000113.6G66G66-L68 PolarHBondContact O-N 3.45Å
69S60.2Low56.2Low108 Ų108141.2 Ų141.276%0.75579%0.787SS**THydrogen-bonded Turntrans-84.3-8.9179.560.60000114.7G66 L71G66-S69 PolarHBondContact O-N 3.43Å; S69-L71 VanDerWaalsContact C-N 3.35Å
70S57.2Low58.2Low99 Ų99142.3 Ų142.369%0.69279%0.786SS**THydrogen-bonded Turntrans-84.7-6.7177.9580000113.7
71L71.3Confident60.3Low116 Ų116144 Ų14461%0.60779%0.786SS**SBendtrans-85.9133.1175.9-77.983.5000110.2S69 K73S69-L71 VanDerWaalsContact C-N 3.35Å; L71-K73 PolarHBondContact O-N 3.15Å
72P74.9Confident62.1Low121 Ų121143.8 Ų143.879%0.78679%0.785SS**PPolyproline II helixtrans-59.3129.8176.824.4-32.4000109.7
73K70.8Confident63.9Low197 Ų197141 Ų14186%0.85778%0.775SS**PPolyproline II helixtrans-51.4124.5179-67.7176180178.90109.3L71 K75L71-K73 PolarHBondContact O-N 3.15Å; K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.14Å
74P64.4Low65.3Low121 Ų121141.3 Ų141.379%0.78677%0.774SS**PPolyproline II helixtrans-64.2120.5-179.324.9-32.4000108.9K76P74-K76 PolarHBondContact O-N 3.41Å
75K71.8Confident66.5Low191 Ų191140 Ų14083%0.8377%0.766SS**PPolyproline II helixtrans-59.7125.3169.3-76.5-178.8168.4-179.30107.6K73 R77K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.14Å; K75-R77 PolarHBondContact O-N 3.49Å
76K66.8Low67.3Low209 Ų209141.4 Ų141.491%0.90976%0.761SS**  trans-60.398.9170.5-63.5-167.3180-171.60108.1P74P74-K76 PolarHBondContact O-N 3.41Å
77R63.3Low68.3Low197 Ų197148.5 Ų148.574%0.74378%0.781SS**  trans-91.2119.7164.3-64.2-175.579.2173.61.9106K75 E79K75-R77 PolarHBondContact O-N 3.49Å; R77-E79 PolarHBondContact O-N 2.83Å
78T61.6Low68.1Low148 Ų148146.5 Ų146.591%0.90878%0.779SS**  trans-79.632.6175.2-34.60000111
79E71Confident68.2Low133 Ų133147.6 Ų147.662%0.62178%0.78SS**SBendtrans-129137-178.8-69.2-174.417000108.8R77 V81R77-E79 PolarHBondContact O-N 2.83Å; E79-V81 PolarHBondContact O-N 3.29Å
80P75.4Confident67.8Low120 Ų120152.7 Ų152.778%0.77978%0.783SS**  trans-61.8126.1-176.924.4-32.5000110.4K82P80-K82 PolarHBondContact O-N 3.14Å
81V76.3Confident67.5Low129 Ų129158.5 Ų158.578%0.78279%0.789SS**  trans-66.2114.6175.3176.30000108.4E79 I83E79-V81 PolarHBondContact O-N 3.29Å; V81-I83 PolarHBondContact O-N 2.87Å
82K77.1Confident66.4Low197 Ų197159.5 Ų159.586%0.85780%0.795SS**  trans-76.8107.4174.9-67.5178.9175.7179.40109P80P80-K82 PolarHBondContact O-N 3.14Å
83I76.7Confident64.9Low137 Ų137159 Ų15970%0.70380%0.795SS**  trans-83.5122.9171.5-58.5166.3000107.2V81 V85V81-I83 PolarHBondContact O-N 2.87Å; I83-V85 PolarHBondContact O-N 3.43Å
84P71.6Confident64Low119 Ų119157.6 Ų157.677%0.77380%0.796SS**  trans-68.1114174.626.7-31.3000109.5
85V67.8Low63.5Low118 Ų118156.6 Ų156.672%0.71579%0.792SS**  trans-80.5127.8176-179.60000108.4I83 Q87I83-V85 PolarHBondContact O-N 3.43Å; V85-Q87 PolarHBondContact O-N 3.35Å
86P66.5Low61.8Low109 Ų109153.7 Ų153.771%0.70879%0.786SS**  trans-59.4131.1174.721.3-29.6000110.6L88P86-L88 PolarHBondContact O-N 2.83Å; P86-L88 VanDerWaalsContact O-N 3.14Å
87Q67.9Low61Low195 Ų195150.7 Ų150.791%0.91178%0.78SS**  trans-64.3111.2-177.8-71.2176.4-24.100110.3V85V85-Q87 PolarHBondContact O-N 3.35Å
88L57.9Low60.4Low157 Ų157147.9 Ų147.982%0.82278%0.78SS**  trans-81.1118.3165.9-72.5163000107.9P86 R90P86-L88 PolarHBondContact O-N 2.83Å; P86-L88 VanDerWaalsContact O-N 3.14Å; L88-R90 PolarHBondContact O-N 2.82Å
89Q62.9Low60.2Low178 Ų178148.6 Ų148.683%0.83277%0.773SS**  trans-61.3106.2167.8-69.6-177.8-30.100108.4R91Q89-R91 PolarHBondContact O-N 3.09Å
90R51.3Low59.2Low216 Ų216148.3 Ų148.382%0.81578%0.783SS**  trans-74.5105.2166.8-65.5-169.8178-152.6-0.6106.5L88 D92L88-R90 PolarHBondContact O-N 2.82Å; R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 PolarHBondContact O-N 3.34Å
91R49.4Very low58.2Low220 Ų220148.4 Ų148.483%0.8378%0.781SS**  trans-73.399.4158.8-80.2-164.7175.698.7-0.7105.7Q89 S93Q89-R91 PolarHBondContact O-N 3.09Å; R91-S93 PolarHBondContact O-N 2.67Å; R91-S93 VanDerWaalsContact O-N 3.15Å
92D49.7Very low56.9Low137 Ų137148.2 Ų148.273%0.73378%0.782SS**  trans-7199.3162.7-51.1-39.7000105.7R90R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 PolarHBondContact O-N 3.34Å
93S42.2Very low55.8Low111 Ų111148.2 Ų148.278%0.77678%0.782SS**  trans-132.374.8162-73.30000105.8R91R91-S93 PolarHBondContact O-N 2.67Å; R91-S93 VanDerWaalsContact O-N 3.15Å
94D51.8Low54.4Low167 Ų167151.9 Ų151.989%0.89379%0.793SS**  trans-87.695.5162.7-17117000106
95S54.7Low53.1Low100 Ų100154.1 Ų154.170%0.69980%0.797SS**  trans-166.286.4177.5-171.30000108.1
96D36.6Very low51.9Low130 Ų130156.5 Ų156.570%0.69580%0.801SS**  173.6112.2107-122.820.6000107.6D98D96-D98 PolarHBondContact O-N 2.94Å
97D50Low51.1Low147 Ų147157.3 Ų157.379%0.78680%0.804SS**  trans-70.4108.1161.9-161.3-19.2000106.5
98D50.6Low50.2Low138 Ų138156.2 Ų156.274%0.73880%0.799SS**  trans-145.292168.8-119.3-28.8000109.3D96D96-D98 PolarHBondContact O-N 2.94Å
99E56.8Low49.4Very low162 Ų162152.1 Ų152.176%0.75780%0.795SS**  trans-57.1130167.7-69.1-172.5145.400110.4V101E99-V101 PolarHBondContact O-N 2.79Å
100P50.8Low48.8Very low128 Ų128149.1 Ų149.183%0.83180%0.8SS**  trans-75.1103.6176.828.9-32.4000110.6
101V52.8Low48.9Very low122 Ų122142.7 Ų142.774%0.73980%0.801SS**  trans-51.3127.8167.5179.60000110.3E99 K103E99-V101 PolarHBondContact O-N 2.79Å; V101-K103 PolarHBondContact O-N 3.41Å; V101-K103 VanDerWaalsContact O-N 3.08Å
102P49.9Very low49Very low125 Ų125137.7 Ų137.781%0.81280%0.8SS**  trans-70.5108.3-176.927.4-33.9000111.2K104P102-K104 PolarHBondContact O-N 3.14Å
103K53Low49.6Very low197 Ų197134.7 Ų134.786%0.85780%0.801SS**  trans-71.8120.3173.4-68.3179.9179.4174.60110.4V101 L105V101-K103 PolarHBondContact O-N 3.41Å; V101-K103 VanDerWaalsContact O-N 3.08Å; K103-L105 PolarHBondContact O-N 3.23Å
104K48Very low50.4Low213 Ų213134.9 Ų134.993%0.92680%0.802SS**  trans-51.8122167.7-102174.8170.7175.70110.3P102 Q106P102-K104 PolarHBondContact O-N 3.14Å; K104-Q106 PolarHBondContact O-N 3.43Å; K104-Q106 VanDerWaalsContact O-N 3.15Å
105L44.4Very low51.7Low166 Ų166128.8 Ų128.887%0.86978%0.779SS**  trans-71104.4171.7-74.6163.9000109.6K103 T107K103-L105 PolarHBondContact O-N 3.23Å; L105-T107 PolarHBondContact O-N 2.95Å
106Q42.4Very low52.9Low169 Ų169131.1 Ų131.179%0.7978%0.783SS**  trans-73.8104.5165.3-173.6139.713.900108.6K104 Q108K104-Q106 PolarHBondContact O-N 3.43Å; K104-Q106 VanDerWaalsContact O-N 3.15Å; Q106-Q108 HydrophobicContact CG-CG 4.46Å; Q106-Q108 PolarHBondContact O-N 3.03Å
107T50.7Low54.8Low126 Ų126129.6 Ų129.677%0.77378%0.783SS**  trans-69.496.7169.550.40000109.4L105L105-T107 PolarHBondContact O-N 2.95Å
108Q47.5Very low56Low171 Ų171126.2 Ų126.280%0.79977%0.771SS**  trans-94.9113.9148.8-63.9-164.6-11.200105.3Q106Q106-Q108 HydrophobicContact CG-CG 4.46Å; Q106-Q108 PolarHBondContact O-N 3.03Å
109G41Very low57.5Low72 Ų72126.2 Ų126.274%0.74277%0.769SS**  9498.759.800000105
110A50.7Low58.8Low114 Ų114123.7 Ų123.794%0.94276%0.76SS**SBendtrans-55138.5-172.100000112.8
111G53.3Low60.4Low81 Ų81123.2 Ų123.284%0.83576%0.757SS**  trans133.675.6158.400000114.8
112S52.7Low61.7Low116 Ų116126.2 Ų126.281%0.81176%0.76SS**  trans-173.7115.9138.7-1650000109.2S114S112-S114 PolarHBondContact O-N 3.16Å; S112-S114 VanDerWaalsContact O-N 3.08Å
113G61.8Low62.9Low73 Ų73124.4 Ų124.475%0.75375%0.748SS**  trans-78.383.7-179.700000111.9
114S59.4Low64Low115 Ų115125 Ų12580%0.80475%0.751SS**  trans-144.980.6170.8-179.10000110.1S112S112-S114 PolarHBondContact O-N 3.16Å; S112-S114 VanDerWaalsContact O-N 3.08Å
115G78.4Confident65.1Low39 Ų39122 Ų12240%0.40275%0.745SS.*SBendtrans-169.8153.9175.700000109.2S117 S118G115-S117 PolarHBondContact O-N 3.47Å; G115-S118 PolarHBondContact O-N 2.84Å; G115-S118 PolarHBondContact O-OG 3.45Å
116L80.4Confident66Low150 Ų150119.7 Ų119.779%0.78573%0.733SS**G310 helixtrans-48.4-25.6-175-69.9166000114.4S118 I119 L120L116-S118 PolarHBondContact O-N 2.74Å; L116-I119 WeakPolarHBondContact O-CG2 3.14Å; L116-I119 PolarHBondContact O-N 3.33Å; L116-I119 VanDerWaalsContact O-N 3.11Å; L116-L120 PolarHBondContact O-N 3.46Å
117S75.6Confident66.9Low98 Ų98116.5 Ų116.569%0.68573%0.725SS**G310 helixtrans-63-18.4172.752.40000115.4G115G115-S117 PolarHBondContact O-N 3.47Å
118S75.3Confident67.3Low76 Ų76116.5 Ų116.553%0.53173%0.725SS.*G310 helixtrans-84.5-19.317369.70000113.2G115 L116 L120G115-S118 PolarHBondContact O-N 2.84Å; G115-S118 PolarHBondContact O-OG 3.45Å; L116-S118 PolarHBondContact O-N 2.74Å; S118-L120 VanDerWaalsContact C-N 3.32Å
119I83.7Confident68Low137 Ų137117.1 Ų117.170%0.70373%0.725SS**THydrogen-bonded Turntrans-81.4-18.8173.9-126.675.6000111.4L116L116-I119 WeakPolarHBondContact O-CG2 3.14Å; L116-I119 PolarHBondContact O-N 3.33Å; L116-I119 VanDerWaalsContact O-N 3.11Å
120L83.4Confident69Low109 Ų109120.4 Ų120.457%0.57172%0.721SS**SBendtrans-87142.4178.2-61.5177.2000110.7L116 S118 K122L116-L120 PolarHBondContact O-N 3.46Å; S118-L120 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 2.76Å
121P84.5Confident69.6Low119 Ų119123.1 Ų123.177%0.77372%0.716SS**PPolyproline II helixtrans-54.1125.7171.2-21.931.3000110
122K80.2Confident70.2Confident184 Ų184126.8 Ų126.880%0.872%0.716SS**PPolyproline II helixtrans-54.9128.4-179.2-69.7179.8-178.3172.90109.6L120 K124L120-K122 PolarHBondContact O-N 2.76Å; K122-K124 PolarHBondContact O-N 2.77Å
123P75.5Confident71.1Confident87 Ų87127.1 Ų127.157%0.56570%0.7SS**PPolyproline II helixtrans-65135.9-177.425.3-33.2000110.1N125 L126P123-N125 PolarHBondContact O-N 3.24Å; P123-N125 VanDerWaalsContact O-N 3.14Å; P123-L126 HydrophobicContact CG-CD1 3.58Å; P123-L126 HydrophobicContact CG-CG 3.9Å; P123-L126 PolarHBondContact O-N 3.05Å
124K74.7Confident71.6Confident210 Ų210127.8 Ų127.891%0.91369%0.691SS**THydrogen-bonded Turntrans-71.6-6.6-169.6-65179.7176.9178.30114.8K122K122-K124 PolarHBondContact O-N 2.77Å
125N70.8Confident72.4Confident149 Ų149130.7 Ų130.780%0.79770%0.697SS**THydrogen-bonded Turntrans-121.133.3179.4-56.2-44.7000112.4P123 T127P123-N125 PolarHBondContact O-N 3.24Å; P123-N125 VanDerWaalsContact O-N 3.14Å; N125-T127 PolarHBondContact O-N 3.05Å
126L64.4Low72.3Confident119 Ų119132.8 Ų132.862%0.62370%0.698SS**  trans-66.680.9169.6-106.2157.9000108.7P123 V128P123-L126 HydrophobicContact CG-CD1 3.58Å; P123-L126 HydrophobicContact CG-CG 3.9Å; P123-L126 PolarHBondContact O-N 3.05Å; L126-V128 VanDerWaalsContact C-N 3.3Å; L126-V128 PolarHBondContact O-N 3.24Å
127T61.8Low72.3Confident102 Ų102129 Ų12963%0.62668%0.682SS**  trans-65100.5163.753.50000105.7N125 K129N125-T127 PolarHBondContact O-N 3.05Å; T127-K129 PolarHBondContact O-N 3.36Å
128V57.5Low71.7Confident125 Ų125129.9 Ų129.976%0.75868%0.675SS**  trans-39.9125.2162.6174.20000106.7L126 E130L126-V128 VanDerWaalsContact C-N 3.3Å; L126-V128 PolarHBondContact O-N 3.24Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 2.88Å
129K62.1Low71.3Confident185 Ų185131.7 Ų131.780%0.80468%0.683SS**  trans-37.184.3-174.3-66.1172.5169.8-179.40113T127 M131T127-K129 PolarHBondContact O-N 3.36Å; K129-M131 HydrophobicContact CB-CG 4.45Å; K129-M131 PolarHBondContact O-N 3.14Å
130E62.3Low70.4Confident141 Ų141131.3 Ų131.366%0.65968%0.682SS**  trans-81.393.9160.9-78.3-173.6164.900104.9V128 D132 R133V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 2.88Å; E130-D132 PolarHBondContact O-N 3.01Å; E130-D132 VanDerWaalsContact O-N 3.09Å; E130-R133 HydrophobicContact CB-CB 4.27Å; E130-R133 PolarHBondContact O-N 2.87Å
131M64.6Low69.5Low170 Ų170129.6 Ų129.684%0.83768%0.676SS**THydrogen-bonded Turntrans-64.6-11-176.1-65.4175.459.500112.8K129K129-M131 HydrophobicContact CB-CG 4.45Å; K129-M131 PolarHBondContact O-N 3.14Å
132D65.9Low68.7Low158 Ų158132 Ų13285%0.84567%0.674SS**THydrogen-bonded Turntrans-111.28-175.9-58.8-37.7000114E130 P134E130-D132 PolarHBondContact O-N 3.01Å; E130-D132 VanDerWaalsContact O-N 3.09Å; D132-P134 WeakPolarHBondContact O-CD 3.43Å
133R71.6Confident67.7Low124 Ų124134 Ų13447%0.46868%0.677SS.*SBendtrans-81.5118.8175.7-165.1166.6-174.7-108-3.8109.3E130 L135E130-R133 HydrophobicContact CB-CB 4.27Å; E130-R133 PolarHBondContact O-N 2.87Å; R133-L135 PolarHBondContact O-N 3.4Å
134P71.2Confident66.7Low87 Ų87134.9 Ų134.957%0.56568%0.683SS**  trans-58.8131.2179.325.8-34.9000108.9D132 I136D132-P134 WeakPolarHBondContact O-CD 3.43Å; P134-I136 HydrophobicContact CB-CD1 3.97Å; P134-I136 HydrophobicContact CB-CG1 4.06Å; P134-I136 HydrophobicContact CG-CD1 4.09Å; P134-I136 PolarHBondContact O-N 3.29Å
135L75.8Confident65.4Low176 Ų176132.5 Ų132.592%0.92168%0.68SS**  trans-70.149.3-179.3-112.571.8000111.5R133 P137R133-L135 PolarHBondContact O-N 3.4Å; L135-P137 WeakPolarHBondContact O-CD 3.36Å
136I76.1Confident64.3Low82 Ų82133.1 Ų133.142%0.42168%0.682SS.*  trans-86.1114.8177.5-59.5168000106P134 H138 L140 T141P134-I136 HydrophobicContact CB-CD1 3.97Å; P134-I136 HydrophobicContact CB-CG1 4.06Å; P134-I136 HydrophobicContact CG-CD1 4.09Å; P134-I136 PolarHBondContact O-N 3.29Å; I136-H138 PolarHBondContact O-N 2.84Å; I136-L140 HydrophobicContact CG2-CB 3.61Å; I136-L140 HydrophobicContact CG2-CD1 4.17Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-T141 HydrophobicContact CB-CG2 4.01Å; I136-T141 HydrophobicContact CG2-CG2 3.51Å
137P80.6Confident63.2Low70 Ų70137 Ų13746%0.45569%0.694SS.*  trans-56.6141.1176.924.1-33.9000109.4L135 T139 L140L135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-T139 PolarHBondContact O-N 3.43Å; P137-L140 HydrophobicContact CG-CD1 3.82Å; P137-L140 HydrophobicContact CG-CG 4.04Å; P137-L140 PolarHBondContact O-N 2.73Å
138H64.2Low62.4Low117 Ų117136.3 Ų136.354%0.54270%0.698SS.*THydrogen-bonded Turntrans-57.9-10.8-178-78-79000114.5I136 L140 K142I136-H138 PolarHBondContact O-N 2.84Å; H138-L140 VanDerWaalsContact C-N 3.33Å; H138-K142 WeakPolarHBondContact O-CG 3.49Å
139T67Low61.8Low115 Ų115136.4 Ų136.471%0.70670%0.702SS**THydrogen-bonded Turntrans-69.4-27.1170.453.30000113.1P137P137-T139 PolarHBondContact O-N 3.43Å
140L65Low61.2Low129 Ų129137 Ų13768%0.67570%0.704SS**THydrogen-bonded Turntrans-96.9-18.5-177.6-62.2178.8000113.3I136 P137 H138I136-L140 HydrophobicContact CG2-CB 3.61Å; I136-L140 HydrophobicContact CG2-CD1 4.17Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; P137-L140 HydrophobicContact CG-CD1 3.82Å; P137-L140 HydrophobicContact CG-CG 4.04Å; P137-L140 PolarHBondContact O-N 2.73Å; H138-L140 VanDerWaalsContact C-N 3.33Å
141T64.8Low60.3Low72 Ų72136.7 Ų136.744%0.44271%0.714SS.*SBendtrans-94.5-5.2-178.9680000113.8I136 R143I136-T141 HydrophobicContact CB-CG2 4.01Å; I136-T141 HydrophobicContact CG2-CG2 3.51Å; T141-R143 PolarHBondContact O-N 2.86Å; T141-R143 VanDerWaalsContact O-N 3.13Å
142K67.1Low59Low169 Ų169132.2 Ų132.274%0.73571%0.712SS**  trans-80.888.5173.5-73.7-83.8-178.9176.40109H138H138-K142 WeakPolarHBondContact O-CG 3.49Å
143R59.9Low57.6Low227 Ų227129.9 Ų129.986%0.85772%0.715SS**  trans-66.3129158.5-72.9-174-179.7176.61.1107.8T141 D145T141-R143 PolarHBondContact O-N 2.86Å; T141-R143 VanDerWaalsContact O-N 3.13Å; R143-D145 PolarHBondContact O-N 2.76Å
144P52.6Low56Low106 Ų106128.9 Ų128.969%0.68873%0.733SS**  trans-65.5121.1166.426.1-30.4000108L146P144-L146 PolarHBondContact O-N 3.48Å
145D48.2Very low54.7Low160 Ų160129.5 Ų129.586%0.85675%0.745SS**  trans-61.2101.1167.8-70-43.1000107.9R143 K147R143-D145 PolarHBondContact O-N 2.76Å; D145-K147 VanDerWaalsContact C-N 3.28Å; D145-K147 PolarHBondContact O-N 3.33Å
146L47.9Very low53.6Low162 Ų162127.4 Ų127.485%0.84874%0.742SS**  trans-67.492.5171.4-69.7175.9000107.9P144 A148P144-L146 PolarHBondContact O-N 3.48Å; L146-A148 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact O-N 3.11Å
147K41.8Very low51.7Low201 Ų201126.7 Ų126.787%0.87476%0.755SS**  trans-61.7110.8163.1-166.2166.4-176.1173.80107.5D145D145-K147 VanDerWaalsContact C-N 3.28Å; D145-K147 PolarHBondContact O-N 3.33Å
148A45Very low49.8Very low86 Ų86131.1 Ų131.171%0.71177%0.774SS**PPolyproline II helixtrans-49.8134.4-178.100000113L146L146-A148 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact O-N 3.11Å
149P43.5Very low48.9Very low127 Ų127133.2 Ų133.283%0.82579%0.789SS**PPolyproline II helixtrans-87.9131.2164.331.9-28.2000110.7
150K50Low47.7Very low199 Ų199131.5 Ų131.587%0.86579%0.794SS**PPolyproline II helixtrans-69152.3170-71.6178.4176.5177.20110.8
151P44.4Very low46.9Very low133 Ų133131 Ų13186%0.86480%0.801SS**PPolyproline II helixtrans-83.1141.1-179.534.2-31.9000111.1
152G36.8Very low46.2Very low76 Ų76133.2 Ų133.278%0.78482%0.82SS**  trans-165.496.7176.500000113.5
153A35.8Very low45.8Very low110 Ų110127.9 Ų127.991%0.90981%0.807SS**  trans55127.9149.600000121.5
154A38.9Very low45.8Very low103 Ų103121 Ų12185%0.85179%0.793SS**  trans-83.9153.3173.400000113.2
155A44.5Very low46.4Very low99 Ų99121.2 Ų121.282%0.81880%0.795SS**  trans-156.9158.1143.600000110.7
156P51.6Low47.1Very low132 Ų132118.2 Ų118.286%0.85779%0.786SS**  trans-113.6159.2-143.337.1-25000115.3
157G36.3Very low48.1Very low68 Ų68112.9 Ų112.970%0.70177%0.765SS**  trans169.596.7164.600000116.4
158L40.4Very low49.4Very low163 Ų163108.5 Ų108.585%0.85375%0.751SS**  trans42.3120.1133.9-59.2163.6000117.6
159L45.5Very low50.7Low161 Ų161112.3 Ų112.384%0.84375%0.751SS**  cis-156.5151.134.9-69.1168.9000110.6
160G42.2Very low52.2Low79 Ų79109.2 Ų109.281%0.81474%0.736SS**  trans-60160.617900000114.9
161S48.2Very low53.3Low119 Ų119102.3 Ų102.383%0.83272%0.716SS**  cis-144.1122.247.1-169.70000110.9A163S161-A163 VanDerWaalsContact C-N 3.31Å; S161-A163 PolarHBondContact O-N 3.14Å
162S50.3Low54.9Low118 Ų11898.9 Ų98.983%0.82570%0.699SS**  trans-7385.8171.862.90000109.4S164S162-S164 PolarHBondContact O-N 3.47Å; S162-S164 VanDerWaalsContact O-N 3.14Å
163A58.5Low57.1Low56 Ų56103 Ų10346%0.46370%0.695SS.*  trans-63.8113.6164.500000107.6S161 A167 I168S161-A163 VanDerWaalsContact C-N 3.31Å; S161-A163 PolarHBondContact O-N 3.14Å; A163-A167 HydrophobicContact CB-CB 4.27Å; A163-I168 HydrophobicContact CB-CG1 4.33Å
164S58.7Low59.2Low82 Ų82100.9 Ų100.957%0.57367%0.674SS**  trans-49.2144.2176.8-730000110.1S162 S166 A167S162-S164 PolarHBondContact O-N 3.47Å; S162-S164 VanDerWaalsContact O-N 3.14Å; S164-S166 PolarHBondContact O-N 3.46Å; S164-A167 WeakPolarHBondContact O-CB 3.35Å; S164-A167 PolarHBondContact O-N 2.99Å
165P66.9Low61.1Low112 Ų11298.1 Ų98.173%0.72765%0.651SS**Hα-helixtrans-54.3-25.5-173.918.8-31.7000114.1K169P165-K169 PolarHBondContact O-N 3.32Å
166S62.9Low62.9Low97 Ų9796.3 Ų96.368%0.67864%0.636SS**Hα-helixtrans-65.7-33.7170.6-79.90000114.6S164 K169 A170S164-S166 PolarHBondContact O-N 3.46Å; S166-K169 PolarHBondContact O-N 2.85Å; S166-A170 WeakPolarHBondContact O-CB 3.27Å; S166-A170 PolarHBondContact O-N 3.11Å
167A68.1Low64.3Low49 Ų4995 Ų9541%0.40562%0.621SS.*Hα-helixtrans-71.2-37.1179.400000111.8A163 S164 K169 A170 A171A163-A167 HydrophobicContact CB-CB 4.27Å; S164-A167 WeakPolarHBondContact O-CB 3.35Å; S164-A167 PolarHBondContact O-N 2.99Å; A167-K169 VanDerWaalsContact C-N 3.35Å; A167-A170 PolarHBondContact O-N 2.84Å; A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.33Å; A167-A171 PolarHBondContact O-N 2.8Å
168I68.4Low66.5Low110 Ų11098.5 Ų98.556%0.56462%0.619SS**Hα-helixtrans-65.7-41.1174.5-58.9173.5000110A163 A172A163-I168 HydrophobicContact CB-CG1 4.33Å; I168-A172 VanDerWaalsContact O-CB 3.3Å; I168-A172 WeakPolarHBondContact O-CB 3.26Å; I168-A172 PolarHBondContact O-N 3.17Å
169K73.3Confident68.5Low166 Ų16694.4 Ų94.472%0.72260%0.601SS**Hα-helixtrans-68.6-37.8177.4-165.1172.8-176-178.40112.5P165 S166 A167 K173P165-K169 PolarHBondContact O-N 3.32Å; S166-K169 PolarHBondContact O-N 2.85Å; A167-K169 VanDerWaalsContact C-N 3.35Å; K169-K173 WeakPolarHBondContact O-CB 3.5Å; K169-K173 PolarHBondContact O-N 2.86Å; K169-K173 VanDerWaalsContact O-N 3.1Å
170A74.8Confident70.1Confident61 Ų6189.4 Ų89.450%0.50458%0.583SS.*Hα-helixtrans-67.9-44.4175.200000111.9S166 A167 K173 S174S166-A170 WeakPolarHBondContact O-CB 3.27Å; S166-A170 PolarHBondContact O-N 3.11Å; A167-A170 PolarHBondContact O-N 2.84Å; A170-K173 PolarHBondContact O-N 3.29Å; A170-S174 PolarHBondContact O-N 3.41Å; A170-S174 PolarHBondContact O-OG 3.32Å
171A73.4Confident71.6Confident55 Ų5592.7 Ų92.746%0.45558%0.575SS.*Hα-helixtrans-64.9-39.8177.400000112.4A167 K173 S174 A175A167-A171 VanDerWaalsContact O-CB 3.27Å; A167-A171 WeakPolarHBondContact O-CB 3.33Å; A167-A171 PolarHBondContact O-N 2.8Å; A171-K173 VanDerWaalsContact C-N 3.34Å; A171-K173 PolarHBondContact O-N 3.27Å; A171-S174 WeakPolarHBondContact CA-OG 3.47Å; A171-S174 PolarHBondContact O-N 2.98Å; A171-S174 PolarHBondContact O-OG 3.37Å; A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 2.86Å
172A78.4Confident72.8Confident60 Ų6093.9 Ų93.950%0.49657%0.567SS.*Hα-helixtrans-63.9-39.2174.100000112I168 A175 A176I168-A172 VanDerWaalsContact O-CB 3.3Å; I168-A172 WeakPolarHBondContact O-CB 3.26Å; I168-A172 PolarHBondContact O-N 3.17Å; A172-A175 PolarHBondContact O-N 3.18Å; A172-A176 WeakPolarHBondContact O-CB 3.3Å; A172-A176 PolarHBondContact O-N 2.71Å
173K81.6Confident73.5Confident163 Ų16392.7 Ų92.771%0.70955%0.55SS**Hα-helixtrans-70.6-37.9177.9-167.1172.4-179.8177.40112.3K169 A170 A171 L177K169-K173 WeakPolarHBondContact O-CB 3.5Å; K169-K173 PolarHBondContact O-N 2.86Å; K169-K173 VanDerWaalsContact O-N 3.1Å; A170-K173 PolarHBondContact O-N 3.29Å; A171-K173 VanDerWaalsContact C-N 3.34Å; A171-K173 PolarHBondContact O-N 3.27Å; K173-L177 PolarHBondContact O-N 2.83Å; K173-L177 VanDerWaalsContact O-N 3.13Å
174S79.6Confident73.7Confident65 Ų6593.3 Ų93.346%0.45556%0.556SS.*Hα-helixtrans-69.9-36.7174.460.30000112.3A170 A171 L177 Q178A170-S174 PolarHBondContact O-N 3.41Å; A170-S174 PolarHBondContact O-OG 3.32Å; A171-S174 WeakPolarHBondContact CA-OG 3.47Å; A171-S174 PolarHBondContact O-N 2.98Å; A171-S174 PolarHBondContact O-OG 3.37Å; S174-L177 PolarHBondContact O-N 3.43Å; S174-Q178 PolarHBondContact O-N 2.87Å
175A80.6Confident73.9Confident46 Ų4693 Ų9338%0.3856%0.558SS.*Hα-helixtrans-65.1-43.5174.400000111.5A171 A172 L177 Q178 V179A171-A175 VanDerWaalsContact O-CB 3.27Å; A171-A175 WeakPolarHBondContact O-CB 3.28Å; A171-A175 PolarHBondContact O-N 2.86Å; A172-A175 PolarHBondContact O-N 3.18Å; A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 2.83Å; A175-Q178 PolarHBondContact O-N 2.83Å; A175-V179 WeakPolarHBondContact O-CG2 3.3Å; A175-V179 PolarHBondContact O-N 3.48Å
176A81.3Confident73.3Confident61 Ų6195.2 Ų95.250%0.50456%0.559SS.*Hα-helixtrans-60.7-38.517500000112.6A172 V179 A180A172-A176 WeakPolarHBondContact O-CB 3.3Å; A172-A176 PolarHBondContact O-N 2.71Å; A176-V179 PolarHBondContact O-N 2.66Å; A176-A180 WeakPolarHBondContact O-CB 3.22Å; A176-A180 PolarHBondContact O-N 2.94Å
177L81.1Confident72.9Confident104 Ų10496.3 Ų96.355%0.54556%0.557SS.*Hα-helixtrans-70.9-35.1177.9-153.4157.6000111.9K173 S174 A175 K181K173-L177 PolarHBondContact O-N 2.83Å; K173-L177 VanDerWaalsContact O-N 3.13Å; S174-L177 PolarHBondContact O-N 3.43Å; A175-L177 VanDerWaalsContact C-N 3.31Å; A175-L177 PolarHBondContact O-N 2.83Å; L177-K181 HydrophobicContact CD2-CD 4.19Å; L177-K181 HydrophobicContact CD2-CG 4.39Å; L177-K181 PolarHBondContact O-N 3.18Å
178Q82.3Confident72.1Confident141 Ų141102.5 Ų102.566%0.65958%0.577SS**Hα-helixtrans-66.6-41.1172.6-77.9179.8-11.900112.3S174 A175 K181 Q182S174-Q178 PolarHBondContact O-N 2.87Å; A175-Q178 PolarHBondContact O-N 2.83Å; Q178-K181 PolarHBondContact O-N 2.97Å; Q178-Q182 PolarHBondContact O-N 3.42Å; Q178-Q182 VanDerWaalsContact O-N 3.08Å
179V82.8Confident71.4Confident78 Ų78104.7 Ų104.747%0.47359%0.591SS.*Hα-helixtrans-65.1-43.1175.3173.10000111.1A175 A176 K181 Q182 I183A175-V179 WeakPolarHBondContact O-CG2 3.3Å; A175-V179 PolarHBondContact O-N 3.48Å; A176-V179 PolarHBondContact O-N 2.66Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 3.48Å; V179-Q182 WeakPolarHBondContact O-CB 3.47Å; V179-Q182 PolarHBondContact O-N 2.81Å; V179-Q182 VanDerWaalsContact O-N 3.1Å; V179-I183 HydrophobicContact CG1-CD1 3.85Å; V179-I183 HydrophobicContact CG1-CG1 4.48Å; V179-I183 WeakPolarHBondContact O-CG1 3.43Å; V179-I183 PolarHBondContact O-N 3.43Å
180A77.9Confident70.2Confident55 Ų55103.7 Ų103.746%0.45559%0.593SS.*Hα-helixtrans-61.1-37.2175.600000112.7A176 I183 A184A176-A180 WeakPolarHBondContact O-CB 3.22Å; A176-A180 PolarHBondContact O-N 2.94Å; A180-I183 PolarHBondContact O-N 3.19Å; A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 2.87Å
181K75Confident68.8Low148 Ų148109.6 Ų109.664%0.64361%0.61SS**Hα-helixtrans-67.6-32.5173.6-84.6-176.2163.2-171.80113.4L177 Q178 V179 A185L177-K181 HydrophobicContact CD2-CD 4.19Å; L177-K181 HydrophobicContact CD2-CG 4.39Å; L177-K181 PolarHBondContact O-N 3.18Å; Q178-K181 PolarHBondContact O-N 2.97Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 3.48Å; K181-A185 WeakPolarHBondContact O-CB 3.37Å; K181-A185 PolarHBondContact O-N 3.25Å
182Q72.4Confident67.4Low145 Ų145115.7 Ų115.768%0.67863%0.629SS**Hα-helixtrans-68.6-43173.8-104.5176.9-31.200111.6Q178 V179 A185 E186Q178-Q182 PolarHBondContact O-N 3.42Å; Q178-Q182 VanDerWaalsContact O-N 3.08Å; V179-Q182 WeakPolarHBondContact O-CB 3.47Å; V179-Q182 PolarHBondContact O-N 2.81Å; V179-Q182 VanDerWaalsContact O-N 3.1Å; Q182-A185 PolarHBondContact O-N 3.39Å; Q182-E186 PolarHBondContact O-N 2.85Å
183I65.4Low66Low92 Ų92119.6 Ų119.647%0.47264%0.642SS.*Hα-helixtrans-64.7-43.5177.8-62.2163.7000110.6V179 A180 A185 E186 D187V179-I183 HydrophobicContact CG1-CD1 3.85Å; V179-I183 HydrophobicContact CG1-CG1 4.48Å; V179-I183 WeakPolarHBondContact O-CG1 3.43Å; V179-I183 PolarHBondContact O-N 3.43Å; A180-I183 PolarHBondContact O-N 3.19Å; I183-A185 PolarHBondContact O-N 3.13Å; I183-E186 PolarHBondContact O-N 3.22Å; I183-E186 VanDerWaalsContact O-N 3.15Å; I183-D187 PolarHBondContact O-N 2.87Å
184A62.6Low64.4Low70 Ų70119.6 Ų119.658%0.57965%0.648SS**Hα-helixtrans-66.6-20.4177.300000114.3A180A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 2.87Å
185A62.6Low63.1Low75 Ų75121 Ų12162%0.6265%0.654SS**Hα-helixtrans-87.3-20.9175.100000112.8K181 Q182 I183K181-A185 WeakPolarHBondContact O-CB 3.37Å; K181-A185 PolarHBondContact O-N 3.25Å; Q182-A185 PolarHBondContact O-N 3.39Å; I183-A185 PolarHBondContact O-N 3.13Å
186E55.1Low62.1Low159 Ų159124.8 Ų124.874%0.74368%0.675SS**Hα-helixtrans-85.6-25.1178.9-159.7177.6-168.200112.4Q182 I183 Q188Q182-E186 PolarHBondContact O-N 2.85Å; I183-E186 PolarHBondContact O-N 3.22Å; I183-E186 VanDerWaalsContact O-N 3.15Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.48Å
187D53.8Low61Low120 Ų120129.5 Ų129.564%0.64269%0.686SS**G310 helixtrans-77.6-1.6-179.9-98-14.1000115.4I183 N189I183-D187 PolarHBondContact O-N 2.87Å; D187-N189 PolarHBondContact O-N 3.47Å
188Q50.8Low60.3Low178 Ų178130.1 Ų130.183%0.83269%0.69SS**G310 helixtrans-76.2-1.2176.7-81.6-121.6-1.300114.5E186E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.48Å
189N54.8Low59.6Low157 Ų157133.9 Ų133.984%0.8470%0.7SS**G310 helixtrans-123.113.1-174.1-141.448.5000114.5D187D187-N189 PolarHBondContact O-N 3.47Å
190N47.8Very low58.2Low144 Ų144139.5 Ų139.577%0.7772%0.718SS**  trans-136.481.2172.2-113.6-20.8000109E192N190-E192 PolarHBondContact O-N 3.21Å
191E45.9Very low57.3Low186 Ų186141.1 Ų141.187%0.86973%0.726SS**  trans-80.991.7173.8-170.3178.3-150.100108.8
192E44.3Very low56Low182 Ų182141.4 Ų141.485%0.8573%0.734SS**  trans-149.1100.8152.7-136.5166.3-163.600108.4N190 I194N190-E192 PolarHBondContact O-N 3.21Å; E192-I194 PolarHBondContact O-N 3.17Å
193D48.5Very low54.7Low142 Ų142142.4 Ų142.476%0.75974%0.739SS**  trans-55113.1-173.7-70-55.3000112.8
194I48.2Very low53.7Low163 Ų163144.9 Ų144.984%0.83675%0.753SS**  trans-117.184159.6-61.1162.3000106.8E192E192-I194 PolarHBondContact O-N 3.17Å
195T51.7Low53.2Low94 Ų94149.2 Ų149.258%0.57777%0.766SS**  trans-62.9129.3166.251.80000108.7Q197T195-Q197 VanDerWaalsContact C-N 3.35Å; T195-Q197 PolarHBondContact O-N 3.26Å
196P60.2Low52.1Low127 Ų127149.8 Ų149.883%0.82577%0.766SS**  trans-68.593.9175.226.9-32000109.3N198P196-N198 PolarHBondContact O-N 3.48Å
197Q57.6Low51.4Low159 Ų159150.4 Ų150.474%0.74377%0.769SS**  trans-65.7116.5176.5-159.770.80.300109T195 Y199T195-Q197 VanDerWaalsContact C-N 3.35Å; T195-Q197 PolarHBondContact O-N 3.26Å; Q197-Y199 PolarHBondContact O-N 3.07Å; Q197-Y199 VanDerWaalsContact O-N 3.13Å
198N66.6Low50.8Low118 Ų118150.3 Ų150.363%0.63178%0.775SS**  trans-72.8102.1179.6-1542000108.7P196 F200 S201P196-N198 PolarHBondContact O-N 3.48Å; N198-F200 PolarHBondContact O-N 3.07Å; N198-S201 PolarHBondContact O-N 3.29Å
199Y67.8Low50.1Low219 Ų219149.2 Ų149.286%0.85977%0.774SS**THydrogen-bonded Turntrans-66.10.9-170.4-138.1-89.9000115.3Q197Q197-Y199 PolarHBondContact O-N 3.07Å; Q197-Y199 VanDerWaalsContact O-N 3.13Å
200F52.8Low49.5Very low196 Ų196147.3 Ų147.386%0.8677%0.77SS**THydrogen-bonded Turntrans-115.54.1179.4-82.6-81000114.1N198 L202N198-F200 PolarHBondContact O-N 3.07Å; F200-L202 PolarHBondContact O-N 3.42Å
201S58.6Low49.2Very low89 Ų89148.1 Ų148.162%0.62277%0.774SS**  trans-91.793.1167.9-63.70000107.6N198N198-S201 PolarHBondContact O-N 3.29Å
202L48.1Very low48.7Very low155 Ų155146 Ų14681%0.81277%0.774SS**  trans-53142.6164.7-69.4166.9000108.6F200 D204F200-L202 PolarHBondContact O-N 3.42Å; L202-D204 PolarHBondContact O-N 2.88Å
203E44.5Very low48.4Very low165 Ų165143 Ų14377%0.77177%0.767SS**  trans-51.4110.9174.3-67.994.5174.900109.9D205E203-D205 PolarHBondContact O-N 2.97Å
204D45.6Very low48Very low145 Ų145142.2 Ų142.278%0.77577%0.77SS**  trans-78.478.2167.8-153.73.7000106.5L202 S206L202-D204 PolarHBondContact O-N 2.88Å; D204-S206 PolarHBondContact O-N 2.98Å
205D51.3Low47.4Very low160 Ų160142.1 Ų142.186%0.85677%0.77SS**  trans-65.485.4167.6-95.4-22000108.1E203E203-D205 PolarHBondContact O-N 2.97Å
206S40.4Very low46.6Very low88 Ų88143.9 Ų143.962%0.61578%0.78SS**  trans-126.394.6164.355.90000110.7D204D204-S206 PolarHBondContact O-N 2.98Å
207Q39.8Very low45.5Very low172 Ų172144.5 Ų144.580%0.80478%0.776SS**  trans-45.9137.1160-148.4172-87.300110.5L209Q207-L209 PolarHBondContact O-N 3.41Å
208P41.4Very low45Very low117 Ų117142.6 Ų142.676%0.7678%0.778SS**  trans-79123.1-17430.5-32.6000111
209L35.8Very low43.6Very low156 Ų156145 Ų14582%0.81779%0.785SS**  trans-134147.1163.4-70.9179.7000111Q207Q207-L209 PolarHBondContact O-N 3.41Å
210P41.8Very low42.6Very low116 Ų116139.5 Ų139.575%0.75378%0.776SS**  trans-92.7157.7-152.936.3-36.3000115.8
211D41.7Very low41.4Very low161 Ų161135.1 Ų135.186%0.86178%0.777SS**  trans25.7104.8151.4-92.7-12.7000118.6
212V37.2Very low40.3Very low142 Ų142135.5 Ų135.586%0.86179%0.785SS**  trans-151.7131.9140.5-175.70000110.5
213V38Very low40.3Very low118 Ų118134 Ų13472%0.71579%0.785SS**  trans-56151.7-179.3-73.30000116.8
214P38.8Very low39.8Very low127 Ų127131.3 Ų131.383%0.82579%0.79SS**  trans-89.3123.817131.6-26000112.1
215I35.3Very low39.4Very low161 Ų161133.1 Ų133.183%0.82679%0.794SS**  trans-102.4109.3164.7-78.3170.8000109.1
216V35Very low39.4Very low130 Ų130130.6 Ų130.679%0.78879%0.786SS**  trans2127.1144-178.70000117.9
217D37.1Very low38.9Very low140 Ų140132.7 Ų132.775%0.74980%0.799SS**  trans-55.8154.8165.9-143.5-3.4000113.6
218P47.8Very low39.1Very low120 Ų120129.8 Ų129.878%0.77980%0.796SS**  -146.9135.4110.932.5-14.5000117.3
219E36.1Very low38.6Very low168 Ų168134.4 Ų134.479%0.78580%0.799SS**  trans-23.3177145.4-130.3-150.6147.200118.4
220P46.7Very low38.3Very low103 Ų103132.3 Ų132.367%0.66979%0.793SS**  -125.7160.6-62.232.6-15.9000113.4
221A29.4Very low38.3Very low105 Ų105131.2 Ų131.287%0.86879%0.794SS**  trans-158.3132.3156.300000112.9
222A33.7Very low38Very low96 Ų96128.4 Ų128.479%0.79379%0.793SS**  trans-109.6-170.2171.300000109.5
223P49.7Very low37.9Very low125 Ų125129 Ų12981%0.81279%0.791SS**  cis-128.6159.1-3432.2-15000112.4
224A33.7Very low38Very low107 Ų107132.1 Ų132.188%0.88480%0.798SS**  trans-158.7128158.100000113.1
225E35.9Very low38.5Very low184 Ų184131.1 Ų131.186%0.8679%0.791SS**  trans-91.5-170.7177.1-133.4-172.7-158.700109.6
226P52.9Low38.4Very low106 Ų106126.9 Ų126.969%0.68879%0.787SS**  -118.4178.8-85.131.2-10.1000112
227C29Very low38.7Very low132 Ų132129.2 Ų129.289%0.89279%0.79SS**  trans-149.9150.4153.4-95.80000112.8
228P43.6Very low39Very low112 Ų112128 Ų12873%0.72779%0.792SS**  trans-115.7-173.9-157.237.2-20.2000113.6
229Y30.7Very low38.7Very low213 Ų213129.8 Ų129.884%0.83580%0.796SS**  trans82.8137156.9-134.1-122.6000113.7
230V30.6Very low39.6Very low112 Ų112126.1 Ų126.168%0.67979%0.794SS**  cis-158.814142.7-160.80000109.9
231A41.4Very low40.1Very low93 Ų93127 Ų12777%0.76980%0.799SS**  trans-85.5141.8163.100000110
232A35.7Very low40.9Very low103 Ų103128.5 Ų128.585%0.85179%0.792SS**  trans-138.2117.9163.100000109.7
233D35.2Very low41.3Very low153 Ų153130.4 Ų130.482%0.81879%0.789SS**  trans-63.2151.6170.8-70.4-53000113
234E40.7Very low40.9Very low184 Ų184133.8 Ų133.886%0.8679%0.791SS**  -179.1159.1119-99.1-93.8121.700112.3
235P47.9Very low41.2Very low106 Ų106132 Ų13269%0.68878%0.783SS**  trans-106.9158.1-141.541.3-37.6000113.8
236G34Very low41.2Very low72 Ų72126.9 Ų126.974%0.74278%0.78SS**  trans-161.269.2-175.800000115.8
237Q41.7Very low40.6Very low179 Ų179127.8 Ų127.884%0.83679%0.789SS**  trans59.9101.2144-57.1-170.3-9.800119.6
238S42Very low41.1Very low115 Ų115128.2 Ų128.280%0.80478%0.782SS**  trans-46.9126.2149.949.40000113.7
239N42.6Very low41Very low158 Ų158131.7 Ų131.785%0.84579%0.789SS**  trans-12777.2154.9-85.4-59.2000108.4
240A53.6Low41.2Very low91 Ų91125 Ų12575%0.75278%0.784SS**  trans-113.1116.1161.600000107.1
241P58.8Low41.4Very low120 Ų120124.3 Ų124.378%0.77979%0.791SS**  trans-76.613117528.1-30.8000111.5
242L46.5Very low41.5Very low137 Ų137125.8 Ų125.872%0.71780%0.795SS**  trans56.496.1151.2-97.558000116.3F244L242-F244 HydrophobicContact CD2-CE2 4.21Å
243D42Very low41.7Very low137 Ų137124.4 Ų124.473%0.73378%0.784SS**  32.99777.3-164.120.2000115.4G245D243-G245 PolarHBondContact OD1-N 3.19Å
244F40Very low41.8Very low195 Ų195127.8 Ų127.886%0.85579%0.786SS**  trans-133.176.7141.7-78.6-80.8000107.8L242L242-F244 HydrophobicContact CD2-CE2 4.21Å
245G40.6Very low41.5Very low70 Ų70126.3 Ų126.372%0.72278%0.784SS**  trans-68.5125.5149.600000109.6D243D243-G245 PolarHBondContact OD1-N 3.19Å
246G35.5Very low40.8Very low76 Ų76123.8 Ų123.878%0.78478%0.776SS**  trans-165.766.9-179.500000112.5
247S40.6Very low40.8Very low126 Ų126128.2 Ų128.288%0.88178%0.778SS**  trans-61.4130.7170.6-44.50000112.1
248N39.4Very low40.5Very low140 Ų140129.7 Ų129.775%0.74978%0.777SS**  trans-167.4101.4147.1-143-8.3000106.2
249E40.8Very low40.3Very low185 Ų185129.5 Ų129.586%0.86477%0.767SS**  52.1124.689.5-139.3167.5-165.600113.3
250G34.8Very low39.7Very low72 Ų72129.2 Ų129.274%0.74276%0.761SS**  trans115.287.2172.800000112.7
251A34.7Very low39Very low99 Ų99135.2 Ų135.282%0.81877%0.766SS**  88.911986.200000112.8
252S45.3Very low38.2Very low123 Ų123137.1 Ų137.186%0.8676%0.764SS**  trans-7.8145.7149.4-49.60000118.5
253A38.3Very low37.8Very low74 Ų74139 Ų13961%0.61277%0.769SS**  trans140.4126.5144.500000106.6
254W38.1Very low38.1Very low225 Ų225137.8 Ų137.885%0.85277%0.769SS**  cis-157.9134.844.4-6980.6000105.5
255D33.6Very low38Very low153 Ų153137.2 Ų137.282%0.81877%0.771SS**  50.3134.675.8-162.537.4000114
256G34.7Very low37.7Very low52 Ų52138.5 Ų138.554%0.53677%0.774SS.*  trans111.990.9163.400000117.8
257Q33Very low37.5Very low166 Ų166138.2 Ų138.278%0.77677%0.772SS**  29.4119.1115-167.3169.2-15.100118.1D259Q257-D259 PolarHBondContact NE2-OD2 3.28Å
258Y36.2Very low37.6Very low210 Ų210138.7 Ų138.782%0.82477%0.772SS**  trans-119.392.6160-104.8-89.7000110.4Y261Y258-Y261 HydrophobicContact CE1-CE2 4.45Å
259D36.4Very low37.3Very low111 Ų111140.4 Ų140.459%0.59478%0.775SS**  trans-82.2153.5151.3-89.7-59.2000109.2Q257Q257-D259 PolarHBondContact NE2-OD2 3.28Å
260Q31.3Very low36.9Very low152 Ų152136.3 Ų136.371%0.7176%0.763SS**  trans76.699.5140.6-162.8153.241.900120
261Y37.8Very low36.9Very low217 Ų217141.9 Ų141.985%0.85177%0.767SS**  trans-13493.2131.8-73.5-76.7000110.3Y258Y258-Y261 HydrophobicContact CE1-CE2 4.45Å
262Q42.3Very low37.5Very low160 Ų160141.7 Ų141.775%0.74876%0.758SS**  trans-94.9142.3144.2-74.7178.45.800107.3
263Q39.4Very low36.9Very low175 Ų175144.4 Ų144.482%0.81876%0.757SS**  trans-178.8159.6145.2-85.4-39.4-24.900108
264P48.3Very low36.6Very low112 Ų112144.2 Ų144.273%0.72776%0.762SS**  -130.1174.7-7226.9-3.7000113.8
265M37.3Very low36.4Very low184 Ų184143.1 Ų143.191%0.90676%0.759SS**  trans-53.5149.4168.7-83.9-93.2173.400115.7
266A33.3Very low36.7Very low96 Ų96145 Ų14579%0.79376%0.756SS**  167.8131.3120.200000111.5
267G32.3Very low36.7Very low71 Ų71149.9 Ų149.973%0.73277%0.77SS**  trans-77.2-177.8166.500000112.8
268P41.9Very low36.9Very low136 Ų136145.9 Ų145.988%0.88377%0.766SS**  -138.5159.4126.333-17.8000115
269E34.3Very low37.4Very low175 Ų175141.3 Ų141.382%0.81876%0.761SS**  trans-66.9150.8171.9-77.1-163.4141.400115.1
270T32.6Very low37.3Very low99 Ų99146.8 Ų146.861%0.60778%0.775SS**  trans27.1145.2135.466.60000124.4
271F33.8Very low38Very low189 Ų189149.3 Ų149.383%0.82978%0.78SS**  trans96.1154.4154.9-65.8-73000119.7
272P46.4Very low37.9Very low96 Ų96146.6 Ų146.662%0.62378%0.775SS**  cis-138.7-171.1-35.539.7-22.3000113.6
273E33.3Very low37.7Very low180 Ų180144.8 Ų144.884%0.84177%0.77SS**  trans64.7116.2162.2-10980.4-163.600117
274G33Very low38.2Very low70 Ų70142.5 Ų142.572%0.72277%0.771SS**  91134.46400000110.5
275Y33.7Very low37.4Very low201 Ų201144.6 Ų144.679%0.78878%0.776SS**  trans92.782.5155.4-130.2-106.4000119.3
276Y38.8Very low38.1Very low193 Ų193141.5 Ų141.576%0.75777%0.769SS**  -171.8104.7103.6-115.9-79.8000110.8
277D35.9Very low38.3Very low155 Ų155145.5 Ų145.583%0.82977%0.772SS**  trans-72.5124.1160-156.1-0.7000107.6
278A36.4Very low38.7Very low82 Ų82150 Ų15068%0.67878%0.778SS**  trans-156.7113163.700000110.8
279P47.3Very low38.4Very low113 Ų113148.7 Ų148.773%0.73478%0.778SS**  trans-85.6130.9178.933.5-29.9000109.9
280Y34.8Very low38.6Very low227 Ų227148.8 Ų148.889%0.8978%0.779SS**  trans-112.9100.8158.3-116.7-89000109.1Q282Y280-Q282 PolarHBondContact O-N 2.95Å
281Y44.5Very low39.2Very low205 Ų205149.1 Ų149.180%0.80479%0.792SS**  trans-57.7124.4160-117.5-97.3000108.6
282Q36.8Very low39.7Very low160 Ų160147.5 Ų147.575%0.74879%0.787SS**  trans-148.492.3153.8-160.578.315.700108.9Y280Y280-Q282 PolarHBondContact O-N 2.95Å
283N37.9Very low39.9Very low122 Ų122147.8 Ų147.865%0.65279%0.788SS**  trans27.5136.2156.2-59-51.2000121.7
284P50Low40.8Very low127 Ų127144.5 Ų144.583%0.82578%0.783SS**  trans-77.1132.3171.333.5-31.2000110.7
285D31.8Very low41.5Very low156 Ų156146.3 Ų146.383%0.83478%0.776SS**  trans-131.2118.9162.9-153.14.5000108.6
286P52.3Low42.6Very low118 Ų118140.6 Ų140.677%0.76677%0.766SS**  trans-100.286.3-166.537-30.5000111.8
287E37.1Very low43.5Very low181 Ų181134.8 Ų134.885%0.84675%0.753SS**  trans-164.299.9165.7-133.9174.7172.800111.5
288L40.7Very low44.6Very low165 Ų165131.4 Ų131.486%0.86474%0.738SS**  trans149.877.1156.2-85.7148.5000110.1E290L288-E290 PolarHBondContact O-N 2.68Å
289A34.3Very low45.7Very low108 Ų108134.6 Ų134.689%0.89374%0.741SS**  trans-77.794163.900000108.7
290E39.8Very low46.3Very low178 Ų178133.6 Ų133.683%0.83273%0.725SS**  trans-79.5129.1156.6-72.4-141.415900108.7L288 E292L288-E290 PolarHBondContact O-N 2.68Å; E290-E292 PolarHBondContact O-N 3.38Å
291A44.7Very low47.7Very low106 Ų106128.9 Ų128.988%0.87672%0.715SS**  trans-68.599.6-17700000110.8
292E43.8Very low49.2Very low155 Ų155123.5 Ų123.572%0.72470%0.701SS**  trans-62.4144.9156.2-116.2-147.5144.300109.8E290E290-E292 PolarHBondContact O-N 3.38Å
293P51.2Low50.9Low101 Ų101122.3 Ų122.366%0.65670%0.695SS**  trans-59.8139.3174.127.8-33.1000109D295P293-D295 PolarHBondContact O-N 3.38Å
294P50.9Low52.5Low112 Ų112118.6 Ų118.673%0.72769%0.685SS**  trans-59.3109.4-175.824.9-33.4000108.9S296P294-S296 PolarHBondContact O-N 3.38Å
295D49.5Very low53.7Low108 Ų108117.1 Ų117.158%0.57867%0.666SS**  trans-52.8130177.3-142.4-6.4000107.8P293 S297 T298P293-D295 PolarHBondContact O-N 3.38Å; D295-S297 PolarHBondContact O-N 2.86Å; D295-T298 WeakPolarHBondContact O-CB 3.44Å; D295-T298 PolarHBondContact O-N 2.87Å; D295-T298 PolarHBondContact O-OG1 3.37Å
296S55.5Low55.6Low81 Ų81112 Ų11257%0.56664%0.637SS**THydrogen-bonded Turntrans-49.5-25.5-172.359.80000114P294 T298 M299 F300P294-S296 PolarHBondContact O-N 3.38Å; S296-T298 VanDerWaalsContact C-N 3.27Å; S296-T298 PolarHBondContact O-N 3.3Å; S296-M299 PolarHBondContact O-N 2.94Å; S296-F300 WeakPolarHBondContact O-CD2 3.43Å; S296-F300 WeakPolarHBondContact O-CE2 3.33Å
297S57.1Low56.5Low70 Ų70115.5 Ų115.549%0.4964%0.636SS.*Hα-helixtrans-51.5-39.1171.2-169.30000113.8D295 M299 F300 D301D295-S297 PolarHBondContact O-N 2.86Å; S297-M299 PolarHBondContact O-N 2.84Å; S297-F300 PolarHBondContact O-N 3.31Å; S297-D301 PolarHBondContact O-N 2.9Å
298T60.1Low58.3Low85 Ų85113.9 Ų113.952%0.52163%0.632SS.*Hα-helixtrans-65.7-23.3-178.7600000113.5D295 S296D295-T298 WeakPolarHBondContact O-CB 3.44Å; D295-T298 PolarHBondContact O-N 2.87Å; D295-T298 PolarHBondContact O-OG1 3.37Å; S296-T298 VanDerWaalsContact C-N 3.27Å; S296-T298 PolarHBondContact O-N 3.3Å
299M59.5Low59.8Low149 Ų149107.4 Ų107.473%0.73460%0.597SS**Hα-helixtrans-85.4-23.7-178.2-130.7156.9177.400112.6S296 S297S296-M299 PolarHBondContact O-N 2.94Å; S297-M299 PolarHBondContact O-N 2.84Å
300F59.2Low61.5Low91 Ų91103.7 Ų103.740%0.39957%0.569SS.*Hα-helixtrans-80.3-26.4175.3-65.7-79.2000113S296 S297 F321S296-F300 WeakPolarHBondContact O-CD2 3.43Å; S296-F300 WeakPolarHBondContact O-CE2 3.33Å; S297-F300 PolarHBondContact O-N 3.31Å; F300-F321 HydrophobicContact CE1-CE1 4.49Å; F300-F321 AromaticContact CE1-CE2 3.96Å; F300-F321 HydrophobicContact CE1-CE2 3.96Å; F300-F321 AromaticContact CE1-CZ 3.43Å; F300-F321 HydrophobicContact CE1-CZ 3.43Å; F300-F321 VanDerWaalsContact CE1-CZ 3.43Å; F300-F321 HydrophobicContact CE2-CZ 4.45Å; F300-F321 HydrophobicContact CZ-CE1 4.19Å; F300-F321 AromaticContact CZ-CE2 3.61Å; F300-F321 HydrophobicContact CZ-CE2 3.61Å; F300-F321 AromaticContact CZ-CZ 3.24Å; F300-F321 HydrophobicContact CZ-CZ 3.24Å
301D64.9Low63Low129 Ų129105.4 Ų105.469%0.6957%0.574SS**SBendtrans-89.8-2.5176.6-81.2-19.6000113.6S297 E303S297-D301 PolarHBondContact O-N 2.9Å; D301-E303 PolarHBondContact O-N 3.36Å
302D75Confident64.1Low92 Ų92110.6 Ų110.649%0.49257%0.571SS.*  trans-63113.4178.7-169.415.8000110.5G304 F305 M306D302-G304 PolarHBondContact O-N 3.39Å; D302-F305 HydrophobicContact CB-CB 4.48Å; D302-F305 PolarHBondContact O-N 3.02Å; D302-M306 PolarHBondContact O-N 3.25Å; D302-M306 VanDerWaalsContact O-N 3.12Å
303E73.1Confident65Low135 Ų135106.5 Ų106.563%0.63155%0.554SS**Hα-helixtrans-55.1-30.4-177.3-165.8-165.6147.400111D301 M306 R307D301-E303 PolarHBondContact O-N 3.36Å; E303-M306 PolarHBondContact O-N 3.5Å; E303-R307 WeakPolarHBondContact O-CB 3.21Å; E303-R307 PolarHBondContact O-N 3.3Å; E303-R307 IonicContact OE1-NH1 4Å
304G72.9Confident65.7Low43 Ų43108.9 Ų108.944%0.44355%0.55SS..Hα-helixtrans-61.7-47.9174.900000113.3D302 R307 L308D302-G304 PolarHBondContact O-N 3.39Å; G304-R307 PolarHBondContact O-N 3.45Å; G304-L308 PolarHBondContact O-N 2.86Å; G304-L308 VanDerWaalsContact O-N 3.13Å
305F73.6Confident66.3Low96 Ų96107.2 Ų107.242%0.42155%0.553SS.*Hα-helixtrans-66.2-42177.7-173.1-102000111.1D302 R307 L308 Q309D302-F305 HydrophobicContact CB-CB 4.48Å; D302-F305 PolarHBondContact O-N 3.02Å; F305-R307 VanDerWaalsContact C-N 3.25Å; F305-R307 PolarHBondContact O-N 2.87Å; F305-L308 PolarHBondContact O-N 2.77Å; F305-L308 VanDerWaalsContact O-N 3.14Å; F305-Q309 PolarHBondContact O-N 2.83Å
306M71.4Confident67.1Low48 Ų48110.5 Ų110.524%0.23656%0.562CS.*Hα-helixtrans-61.8-31176-78.7-69.3-139.400113.4D302 E303 Q309 R314D302-M306 PolarHBondContact O-N 3.25Å; D302-M306 VanDerWaalsContact O-N 3.12Å; E303-M306 PolarHBondContact O-N 3.5Å; M306-Q309 PolarHBondContact O-NE2 3.06Å; M306-Q309 PolarHBondContact SD-NE2 3.38Å; M306-R314 HydrophobicContact CE-CG 4.25Å; M306-R314 VanDerWaalsContact CE-NE 3.26Å; M306-R314 HydrophobicContact SD-CG 3.91Å; M306-R314 PolarHBondContact SD-NE 2.77Å
307R73Confident67.6Low193 Ų193111.5 Ų111.573%0.72856%0.558SS**Hα-helixtrans-79.7-28.9177.2-155.6150.684.3-169.89.4112.4E303 G304 F305E303-R307 WeakPolarHBondContact O-CB 3.21Å; E303-R307 PolarHBondContact O-N 3.3Å; E303-R307 IonicContact OE1-NH1 4Å; G304-R307 PolarHBondContact O-N 3.45Å; F305-R307 VanDerWaalsContact C-N 3.25Å; F305-R307 PolarHBondContact O-N 2.87Å
308L75.1Confident68.2Low147 Ų147117.7 Ų117.777%0.7758%0.579SS**Hα-helixtrans-73.6-38179.3-17264.7000113.2G304 F305 G310G304-L308 PolarHBondContact O-N 2.86Å; G304-L308 VanDerWaalsContact O-N 3.13Å; F305-L308 PolarHBondContact O-N 2.77Å; F305-L308 VanDerWaalsContact O-N 3.14Å; L308-G310 PolarHBondContact O-N 3.29Å; L308-G310 VanDerWaalsContact O-N 3.13Å
309Q70.3Confident68.8Low28 Ų28116.9 Ų116.913%0.13157%0.574CS.*SBendtrans-65.8-15.3177.786.8-162.8-44.300113F305 M306 N313 R314F305-Q309 PolarHBondContact O-N 2.83Å; M306-Q309 PolarHBondContact O-NE2 3.06Å; M306-Q309 PolarHBondContact SD-NE2 3.38Å; Q309-N313 WeakPolarHBondContact O-CB 3.4Å; Q309-N313 PolarHBondContact O-ND2 3Å; Q309-N313 VanDerWaalsContact O-ND2 3.14Å; Q309-R314 VanDerWaalsContact CD-CA 3.49Å; Q309-R314 HydrophobicContact CG-CB 4.48Å
310G70.6Confident69.8Low30 Ų30117.9 Ų117.931%0.30957%0.574SS.*  trans74.2159.5-177.600000114L308 R312 N313L308-G310 PolarHBondContact O-N 3.29Å; L308-G310 VanDerWaalsContact O-N 3.13Å; G310-R312 PolarHBondContact O-N 3.05Å; G310-N313 PolarHBondContact O-N 3.12Å
311K72.2Confident70.5Confident215 Ų215120.5 Ų120.594%0.93559%0.586SS**THydrogen-bonded Turntrans-62.1-15.6-171.5-163.3162.4-178.11760114.7
312R67.9Low71.2Confident215 Ų215120.6 Ų120.681%0.81159%0.585SS**THydrogen-bonded Turntrans-101-15.4-173.7-166.8162.962.996.31.1114.5G310G310-R312 PolarHBondContact O-N 3.05Å
313N62.6Low71.4Confident69 Ų69124.1 Ų124.137%0.36960%0.599SS.*THydrogen-bonded Turntrans-109.60.7-175.9-53.5-26.8000114Q309 G310 G315 K316 E317Q309-N313 WeakPolarHBondContact O-CB 3.4Å; Q309-N313 PolarHBondContact O-ND2 3Å; Q309-N313 VanDerWaalsContact O-ND2 3.14Å; G310-N313 PolarHBondContact O-N 3.12Å; N313-G315 PolarHBondContact O-N 2.98Å; N313-G315 VanDerWaalsContact O-N 3.08Å; N313-K316 PolarHBondContact O-N 3.07Å; N313-E317 VanDerWaalsContact CB-OE1 3.31Å; N313-E317 WeakPolarHBondContact CB-OE1 3.11Å
314R64.9Low71.6Confident150 Ų150123 Ų12357%0.56660%0.596SS**THydrogen-bonded Turntrans-58.2112.3176.7-159.8152.6-168.6177.85.4110.8M306 Q309M306-R314 HydrophobicContact CE-CG 4.25Å; M306-R314 VanDerWaalsContact CE-NE 3.26Å; M306-R314 HydrophobicContact SD-CG 3.91Å; M306-R314 PolarHBondContact SD-NE 2.77Å; Q309-R314 VanDerWaalsContact CD-CA 3.49Å; Q309-R314 HydrophobicContact CG-CB 4.48Å
315G65.1Low72.1Confident77 Ų77127.6 Ų127.679%0.79460%0.604SS**THydrogen-bonded Turntrans88.614.5172.100000117.2N313N313-G315 PolarHBondContact O-N 2.98Å; N313-G315 VanDerWaalsContact O-N 3.08Å
316K65.2Low72.1Confident177 Ų177125.4 Ų125.477%0.7761%0.608SS**  trans-115.41.6178.4-63.4-177.4-178.3-179.50114.4N313N313-K316 PolarHBondContact O-N 3.07Å
317E66.3Low72.2Confident103 Ų103129.6 Ų129.648%0.48163%0.632SS.*  trans-101.6104.8-174.3-55-173.2-165.600108.6N313 V319N313-E317 VanDerWaalsContact CB-OE1 3.31Å; N313-E317 WeakPolarHBondContact CB-OE1 3.11Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 HydrophobicContact CB-CG2 4.41Å; E317-V319 PolarHBondContact O-N 3.36Å
318E70.4Confident72.2Confident199 Ų199126 Ų12693%0.9363%0.627SS**  trans-72.593.6166.8-170.2176.3-177.700107.3K320E318-K320 PolarHBondContact O-N 3.47Å; E318-K320 VanDerWaalsContact O-N 3.07Å
319V72.6Confident72Confident68 Ų68125.6 Ų125.641%0.41262%0.621SS.*  trans-74.7101.3-176.2-173.10000108.9E317 F321E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 HydrophobicContact CB-CG2 4.41Å; E317-V319 PolarHBondContact O-N 3.36Å; V319-F321 HydrophobicContact CB-CD2 4.48Å; V319-F321 HydrophobicContact CB-CE2 3.75Å; V319-F321 HydrophobicContact CB-CZ 3.77Å; V319-F321 HydrophobicContact CG1-CD1 4.17Å; V319-F321 HydrophobicContact CG1-CD2 4.2Å; V319-F321 HydrophobicContact CG1-CE1 3.65Å; V319-F321 HydrophobicContact CG1-CE2 3.68Å; V319-F321 HydrophobicContact CG1-CG 4.4Å; V319-F321 HydrophobicContact CG1-CZ 3.35Å; V319-F321 WeakPolarHBondContact O-CD2 3.46Å; V319-F321 WeakPolarHBondContact O-CE2 3.48Å; V319-F321 PolarHBondContact O-N 3.41Å; V319-F321 VanDerWaalsContact O-N 3.17Å
320K79.9Confident71.6Confident171 Ų171129.1 Ų129.174%0.74364%0.64SS**  trans-76.797.5169.6-173.7176.6-179175.80109.1E318 L322E318-K320 PolarHBondContact O-N 3.47Å; E318-K320 VanDerWaalsContact O-N 3.07Å; K320-L322 PolarHBondContact O-N 3.08Å; K320-L322 VanDerWaalsContact O-N 3.11Å
321F73.7Confident71.4Confident146 Ų146129.7 Ų129.764%0.6464%0.639SS**  trans-66.1108.9173.7-63.9-82.3000109.8F300 V319F300-F321 HydrophobicContact CE1-CE1 4.49Å; F300-F321 AromaticContact CE1-CE2 3.96Å; F300-F321 HydrophobicContact CE1-CE2 3.96Å; F300-F321 AromaticContact CE1-CZ 3.43Å; F300-F321 HydrophobicContact CE1-CZ 3.43Å; F300-F321 VanDerWaalsContact CE1-CZ 3.43Å; F300-F321 HydrophobicContact CE2-CZ 4.45Å; F300-F321 HydrophobicContact CZ-CE1 4.19Å; F300-F321 AromaticContact CZ-CE2 3.61Å; F300-F321 HydrophobicContact CZ-CE2 3.61Å; F300-F321 AromaticContact CZ-CZ 3.24Å; F300-F321 HydrophobicContact CZ-CZ 3.24Å; V319-F321 HydrophobicContact CB-CD2 4.48Å; V319-F321 HydrophobicContact CB-CE2 3.75Å; V319-F321 HydrophobicContact CB-CZ 3.77Å; V319-F321 HydrophobicContact CG1-CD1 4.17Å; V319-F321 HydrophobicContact CG1-CD2 4.2Å; V319-F321 HydrophobicContact CG1-CE1 3.65Å; V319-F321 HydrophobicContact CG1-CE2 3.68Å; V319-F321 HydrophobicContact CG1-CG 4.4Å; V319-F321 HydrophobicContact CG1-CZ 3.35Å; V319-F321 WeakPolarHBondContact O-CD2 3.46Å; V319-F321 WeakPolarHBondContact O-CE2 3.48Å; V319-F321 PolarHBondContact O-N 3.41Å; V319-F321 VanDerWaalsContact O-N 3.17Å
322L79.6Confident71.6Confident130 Ų130121.1 Ų121.168%0.68161%0.613SS**  trans-95.6113.5168.6-74.1141.1000107.2K320 I324K320-L322 PolarHBondContact O-N 3.08Å; K320-L322 VanDerWaalsContact O-N 3.11Å; L322-I324 HydrophobicContact CB-CG1 4.38Å; L322-I324 PolarHBondContact O-N 3.19Å
323E79.6Confident72Confident166 Ų166115.2 Ų115.278%0.77660%0.597SS**  trans-71.992.3173.5-169.8-171.516300109.1K325E323-K325 PolarHBondContact O-N 3.21Å
324I77.8Confident72.7Confident113 Ų113118.4 Ų118.458%0.57961%0.61SS**  trans-88.3105176.6-60.2170.2000107.8L322 G326 Q329L322-I324 HydrophobicContact CB-CG1 4.38Å; L322-I324 PolarHBondContact O-N 3.19Å; I324-G326 PolarHBondContact O-N 3.13Å; I324-Q329 HydrophobicContact CG2-CG 4.01Å
325K82.6Confident73.2Confident139 Ų139117.3 Ų117.360%0.60461%0.611SS**  trans-68.9128170.2-68.5-177-179.51730109.1E323 D327 D328E323-K325 PolarHBondContact O-N 3.21Å; K325-D327 PolarHBondContact O-N 3.46Å; K325-D327 VanDerWaalsContact O-N 3.14Å; K325-D328 WeakPolarHBondContact O-CB 3.33Å; K325-D328 PolarHBondContact O-N 3.26Å
326G74.1Confident73.6Confident49 Ų49122.7 Ų122.751%0.50561%0.607SS.*Hα-helixtrans-58.9-26.6-179.500000114.1I324 Q329 L330I324-G326 PolarHBondContact O-N 3.13Å; G326-Q329 PolarHBondContact O-N 2.8Å; G326-L330 PolarHBondContact O-N 3.33Å
327D72.8Confident74.2Confident137 Ų137119 Ų11973%0.73359%0.594SS**Hα-helixtrans-68.5-33.1176.3-159.239.7000112.5K325 L330 S331K325-D327 PolarHBondContact O-N 3.46Å; K325-D327 VanDerWaalsContact O-N 3.14Å; D327-L330 PolarHBondContact O-N 3.04Å; D327-S331 PolarHBondContact O-N 3.47Å
328D73.9Confident74.7Confident117 Ų117117.4 Ų117.463%0.62659%0.591SS**Hα-helixtrans-72.5-32178.6-168.440.9000112K325 L330 S331K325-D328 WeakPolarHBondContact O-CB 3.33Å; K325-D328 PolarHBondContact O-N 3.26Å; D328-L330 VanDerWaalsContact C-N 3.34Å; D328-L330 PolarHBondContact O-N 3.37Å; D328-S331 PolarHBondContact O-N 3.49Å; D328-S331 PolarHBondContact O-OG 3.27Å
329Q69.4Low75.1Confident139 Ų139114.6 Ų114.665%0.6558%0.576SS**Hα-helixtrans-66.3-34.1172.5-92.7-166.2-18.300113.1I324 G326I324-Q329 HydrophobicContact CG2-CG 4.01Å; G326-Q329 PolarHBondContact O-N 2.8Å
330L63.3Low75.3Confident101 Ų101113 Ų11353%0.52957%0.568SS.*Hα-helixtrans-79.1-24-179.2-70.8163.5000112.1G326 D327 D328 G332 N333 Q334G326-L330 PolarHBondContact O-N 3.33Å; D327-L330 PolarHBondContact O-N 3.04Å; D328-L330 VanDerWaalsContact C-N 3.34Å; D328-L330 PolarHBondContact O-N 3.37Å; L330-G332 VanDerWaalsContact C-N 3.31Å; L330-G332 PolarHBondContact O-N 2.82Å; L330-N333 PolarHBondContact O-N 3.26Å; L330-Q334 VanDerWaalsContact O-CB 3.29Å; L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 3.06Å
331S65.9Low75.2Confident42 Ų42111 Ų11129%0.29456%0.564SS.*Hα-helixtrans-57.7-44.3176.680.90000111.6D327 D328 Q335D327-S331 PolarHBondContact O-N 3.47Å; D328-S331 PolarHBondContact O-N 3.49Å; D328-S331 PolarHBondContact O-OG 3.27Å; S331-Q335 WeakPolarHBondContact O-CB 3.39Å; S331-Q335 WeakPolarHBondContact O-CG 3.05Å; S331-Q335 PolarHBondContact O-N 2.94Å
332G75.8Confident75Confident36 Ų36107.4 Ų107.437%0.37156%0.557SS.*Hα-helixtrans-67.1-42.4177.500000112.6L330 Q335 W336L330-G332 VanDerWaalsContact C-N 3.31Å; L330-G332 PolarHBondContact O-N 2.82Å; G332-Q335 PolarHBondContact O-N 2.92Å; G332-W336 WeakPolarHBondContact O-CB 3.24Å; G332-W336 PolarHBondContact O-N 3.11Å
333N77.5Confident74.7Confident91 Ų91105.3 Ų105.349%0.48754%0.544SS..Hα-helixtrans-68.7-41.1178.5-16911.9000111.7L330 Q335 W336 M337L330-N333 PolarHBondContact O-N 3.26Å; N333-Q335 VanDerWaalsContact C-N 3.34Å; N333-Q335 PolarHBondContact O-N 2.87Å; N333-W336 PolarHBondContact O-N 3.14Å; N333-M337 WeakPolarHBondContact O-CB 3.4Å; N333-M337 WeakPolarHBondContact O-CG 3.22Å; N333-M337 PolarHBondContact O-N 3.13Å
334Q76Confident74.2Confident135 Ų135101.6 Ų101.663%0.63153%0.527SS*.Hα-helixtrans-64.5-39.9175.7-171.21769.700111.3L330 T338L330-Q334 VanDerWaalsContact O-CB 3.29Å; L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 3.06Å; Q334-T338 VanDerWaalsContact O-CB 3.24Å; Q334-T338 WeakPolarHBondContact O-CB 3.24Å; Q334-T338 PolarHBondContact O-N 3.5Å; Q334-T338 PolarHBondContact O-OG1 3.14Å
335Q75.8Confident73.7Confident128 Ų128102.2 Ų102.260%0.59853%0.525SS*.Hα-helixtrans-63.3-41.8172.1-72.316924.800111.5S331 G332 N333 T338 K339S331-Q335 WeakPolarHBondContact O-CB 3.39Å; S331-Q335 WeakPolarHBondContact O-CG 3.05Å; S331-Q335 PolarHBondContact O-N 2.94Å; G332-Q335 PolarHBondContact O-N 2.92Å; N333-Q335 VanDerWaalsContact C-N 3.34Å; N333-Q335 PolarHBondContact O-N 2.87Å; Q335-T338 PolarHBondContact O-N 3.24Å; Q335-K339 WeakPolarHBondContact O-CB 3.32Å; Q335-K339 PolarHBondContact O-N 2.98Å
336W73.6Confident72.8Confident189 Ų18999 Ų9972%0.71651%0.512SS*.Hα-helixtrans-68.1-40.2179.1-144.479.9000112.4G332 N333 S340G332-W336 WeakPolarHBondContact O-CB 3.24Å; G332-W336 PolarHBondContact O-N 3.11Å; N333-W336 PolarHBondContact O-N 3.14Å; W336-S340 VanDerWaalsContact O-CB 3.24Å; W336-S340 WeakPolarHBondContact O-CB 3.37Å; W336-S340 PolarHBondContact O-N 3.33Å; W336-S340 PolarHBondContact O-OG 3.17Å
337M77.1Confident72.2Confident99 Ų99100.8 Ų100.849%0.48851%0.513SS..Hα-helixtrans-63.7-50172.2-72.7-69.4-72.800110.6N333 K339 S340 I341N333-M337 WeakPolarHBondContact O-CB 3.4Å; N333-M337 WeakPolarHBondContact O-CG 3.22Å; N333-M337 PolarHBondContact O-N 3.13Å; M337-K339 VanDerWaalsContact C-N 3.31Å; M337-K339 PolarHBondContact O-N 3.28Å; M337-S340 WeakPolarHBondContact CA-OG 3.35Å; M337-S340 PolarHBondContact O-N 3.3Å; M337-S340 PolarHBondContact O-OG 2.99Å; M337-I341 HydrophobicContact CB-CD1 4.48Å; M337-I341 HydrophobicContact CE-CD1 4.49Å; M337-I341 WeakPolarHBondContact O-CB 3.18Å; M337-I341 VanDerWaalsContact O-CD1 3.3Å; M337-I341 WeakPolarHBondContact O-CD1 3.29Å; M337-I341 WeakPolarHBondContact O-CG1 3.36Å; M337-I341 PolarHBondContact O-N 3Å
338T77.8Confident71.4Confident70 Ų70105.8 Ų105.843%0.42952%0.522SS..Hα-helixtrans-60.7-42.3179-55.60000111.2Q334 Q335 S342Q334-T338 VanDerWaalsContact O-CB 3.24Å; Q334-T338 WeakPolarHBondContact O-CB 3.24Å; Q334-T338 PolarHBondContact O-N 3.5Å; Q334-T338 PolarHBondContact O-OG1 3.14Å; Q335-T338 PolarHBondContact O-N 3.24Å; T338-S342 WeakPolarHBondContact O-CB 3.43Å; T338-S342 PolarHBondContact O-N 3.45Å; T338-S342 PolarHBondContact O-OG 2.85Å
339K79.3Confident70.8Confident140 Ų140104.9 Ų104.961%0.60951%0.514SS*.Hα-helixtrans-66-45.9176.8-170.4174.8179.2-177.60111.6Q335 M337 I341 S342 E343Q335-K339 WeakPolarHBondContact O-CB 3.32Å; Q335-K339 PolarHBondContact O-N 2.98Å; M337-K339 VanDerWaalsContact C-N 3.31Å; M337-K339 PolarHBondContact O-N 3.28Å; K339-I341 VanDerWaalsContact C-N 3.31Å; K339-I341 PolarHBondContact O-N 3.27Å; K339-S342 PolarHBondContact O-N 3.07Å; K339-E343 WeakPolarHBondContact O-CB 3.19Å; K339-E343 PolarHBondContact O-N 2.91Å
340S75.6Confident70.2Confident35 Ų35101.9 Ų101.925%0.24551%0.509CS..Hα-helixtrans-70.8-23.5-179.862.50000114.5W336 M337W336-S340 VanDerWaalsContact O-CB 3.24Å; W336-S340 WeakPolarHBondContact O-CB 3.37Å; W336-S340 PolarHBondContact O-N 3.33Å; W336-S340 PolarHBondContact O-OG 3.17Å; M337-S340 WeakPolarHBondContact CA-OG 3.35Å; M337-S340 PolarHBondContact O-N 3.3Å; M337-S340 PolarHBondContact O-OG 2.99Å
341I77.3Confident69.9Low129 Ų129104.8 Ų104.866%0.66251%0.514SS*.Hα-helixtrans-81.8-36.6173.2-67.1162.7000111M337 K339M337-I341 HydrophobicContact CB-CD1 4.48Å; M337-I341 HydrophobicContact CE-CD1 4.49Å; M337-I341 WeakPolarHBondContact O-CB 3.18Å; M337-I341 VanDerWaalsContact O-CD1 3.3Å; M337-I341 WeakPolarHBondContact O-CD1 3.29Å; M337-I341 WeakPolarHBondContact O-CG1 3.36Å; M337-I341 PolarHBondContact O-N 3Å; K339-I341 VanDerWaalsContact C-N 3.31Å; K339-I341 PolarHBondContact O-N 3.27Å
342S71.4Confident69.8Low70 Ų70107.2 Ų107.249%0.4953%0.53SS..Hα-helixtrans-85.8-28.5-176.4-53.10000113.3T338 K339 E344T338-S342 WeakPolarHBondContact O-CB 3.43Å; T338-S342 PolarHBondContact O-N 3.45Å; T338-S342 PolarHBondContact O-OG 2.85Å; K339-S342 PolarHBondContact O-N 3.07Å; S342-E344 PolarHBondContact O-N 2.62Å
343E72.2Confident69.1Low87 Ų87112.6 Ų112.641%0.40754%0.544SS..SBendtrans-70.6115.9176.4-171.4-178.2172.600109.6K339 K345 N385K339-E343 WeakPolarHBondContact O-CB 3.19Å; K339-E343 PolarHBondContact O-N 2.91Å; E343-K345 PolarHBondContact O-N 2.76Å; E343-N385 WeakPolarHBondContact CG-ND2 3.45Å
344E69.8Low68.4Low88 Ų88113.1 Ų113.141%0.41154%0.539SS..  trans-69.797.4174.1-171.2-176.7166.400108S342 Q346 N385S342-E344 PolarHBondContact O-N 2.62Å; E344-Q346 PolarHBondContact O-N 3.13Å; E344-N385 WeakPolarHBondContact CB-OD1 3.32Å; E344-N385 PolarHBondContact N-OD1 2.89Å; E344-N385 PolarHBondContact O-ND2 3.11Å
345K67.4Low67.9Low126 Ų126115 Ų11555%0.54854%0.54SS..  trans-73.4129173.3-65.3-178.5-175.7177.60108.1E343 T347E343-K345 PolarHBondContact O-N 2.76Å; K345-T347 PolarHBondContact O-N 2.82Å
346Q63.9Low67.5Low72 Ų72112.5 Ų112.534%0.33655%0.549SS..  trans-35.6116.2171.9-166.6160.575.300109.1E344 R348 I381E344-Q346 PolarHBondContact O-N 3.13Å; Q346-R348 PolarHBondContact O-N 2.85Å; Q346-R348 VanDerWaalsContact O-N 3.11Å; Q346-I381 HydrophobicContact CB-CD1 3.76Å; Q346-I381 HydrophobicContact CG-CD1 3.38Å
347T60.2Low67.5Low85 Ų85107.6 Ų107.652%0.52154%0.536SS..  trans-42.8125.3-173.158.90000108.2K345 Q349K345-T347 PolarHBondContact O-N 2.82Å; T347-Q349 PolarHBondContact O-N 3.03Å; T347-Q349 PolarHBondContact OG1-NE2 3.33Å
348R56.9Low68Low243 Ų243106.3 Ų106.392%0.91753%0.529SS*.  trans-65.674.5-174.9-77.2-179.8162.4-100.21.4109.3Q346 S350Q346-R348 PolarHBondContact O-N 2.85Å; Q346-R348 VanDerWaalsContact O-N 3.11Å; R348-S350 PolarHBondContact O-N 3.13Å
349Q60Low68.5Low97 Ų97103.1 Ų103.145%0.45351%0.51SS..  trans-68.1121170.6-61.5-54.7-39.500105.8T347 Y351 R354T347-Q349 PolarHBondContact O-N 3.03Å; T347-Q349 PolarHBondContact OG1-NE2 3.33Å; Q349-Y351 PolarHBondContact O-N 3.07Å; Q349-R354 HydrophobicContact CB-CG 4.35Å
350S56.5Low69.1Low77 Ų77100.6 Ų100.654%0.53851%0.506SS..  trans-47.2135.1178.6-64.80000110.2R348 S352 K353 R354R348-S350 PolarHBondContact O-N 3.13Å; S350-S352 PolarHBondContact O-N 3.45Å; S350-K353 PolarHBondContact O-N 2.84Å; S350-R354 PolarHBondContact O-N 3.33Å
351Y57.5Low69.8Low162 Ų162100.8 Ų100.864%0.63551%0.514SS*.Hα-helixtrans-49.3-31.3-174.2-175-96.9000113.5Q349 K353 R354 R355Q349-Y351 PolarHBondContact O-N 3.07Å; Y351-K353 PolarHBondContact O-N 3.33Å; Y351-R354 PolarHBondContact O-N 2.81Å; Y351-R355 VanDerWaalsContact CZ-NH1 3.3Å; Y351-R355 PolarHBondContact OH-NH1 3.21Å
352S63.8Low70.5Confident92 Ų92100.6 Ų100.664%0.64351%0.51SS*.Hα-helixtrans-61.6-37.3174.7550000114S350 R354S350-S352 PolarHBondContact O-N 3.45Å; S352-R354 VanDerWaalsContact C-N 3.34Å
353K60.8Low71.5Confident150 Ų15099.3 Ų99.365%0.65250%0.496SS*.Hα-helixtrans-79.4-17.6177.2-64.1-174.4177.8-176.80112.7S350 Y351S350-K353 PolarHBondContact O-N 2.84Å; Y351-K353 PolarHBondContact O-N 3.33Å
354R63.9Low72.5Confident101 Ų101100.6 Ų100.638%0.38150%0.497SS..Hα-helixtrans-76.2-21.1179.6-52.3-161.488.4-1707.5113.3Q349 S350 Y351 S352 G356 Q358Q349-R354 HydrophobicContact CB-CG 4.35Å; S350-R354 PolarHBondContact O-N 3.33Å; Y351-R354 PolarHBondContact O-N 2.81Å; S352-R354 VanDerWaalsContact C-N 3.34Å; R354-G356 VanDerWaalsContact C-N 3.35Å; R354-Q358 WeakPolarHBondContact O-CG 3.29Å
355R64.6Low73.7Confident176 Ų176106.6 Ų106.666%0.66452%0.516SS*.THydrogen-bonded Turntrans-67.7-32.5178.7-79.3-70.5-150.9-100.7-2113Y351Y351-R355 VanDerWaalsContact CZ-NH1 3.3Å; Y351-R355 PolarHBondContact OH-NH1 3.21Å
356G67.8Low75.1Confident75 Ų75107.3 Ų107.377%0.77352%0.519SS*.THydrogen-bonded Turntrans-84.1-23.3178.300000114.5R354R354-G356 VanDerWaalsContact C-N 3.35Å
357D73.8Confident76.6Confident85 Ų85109.6 Ų109.646%0.45553%0.53SS..SBendtrans-91.40.1-176.5-155.533.9000112.8K377D357-K377 IonicContact OD2-NZ 3.56Å; D357-K377 PolarHBondContact OD2-NZ 3.43Å
358Q88.2Confident78.3Confident72 Ų72109 Ų10934%0.33652%0.521SS..SBendtrans-90.3124.5179.4-80.5-70-2500110.8R354 T360 H374R354-Q358 WeakPolarHBondContact O-CG 3.29Å; Q358-T360 PolarHBondContact O-N 2.96Å; Q358-H374 PolarHBondContact NE2-NE2 3.38Å
359P87.4Confident80Confident4 Ų4103.7 Ų103.73%0.02651%0.509CS..PPolyproline II helixtrans-65.2135.3-179.121.7-30.4000111.4Q363 R364 Y371 H374P359-Q363 HydrophobicContact CB-CB 4.21Å; P359-R364 HydrophobicContact CB-CG 4.3Å; P359-R364 HydrophobicContact CG-CG 4.33Å; P359-R364 PolarHBondContact O-NE 3.42Å; P359-Y371 HydrophobicContact CB-CD2 4.18Å; P359-Y371 HydrophobicContact CG-CD2 3.77Å; P359-H374 HydrophobicContact CG-CB 3.84Å; P359-H374 WeakPolarHBondContact CG-ND1 3.31Å
360T91.8Very high81.6Confident86 Ų86102.3 Ų102.353%0.52851%0.508SS..PPolyproline II helixtrans-60.8153.3177.1-65.50000111.5Q358 Q362 Q363 R364Q358-T360 PolarHBondContact O-N 2.96Å; T360-Q362 VanDerWaalsContact C-N 3.29Å; T360-Q362 PolarHBondContact O-N 3.14Å; T360-Q363 WeakPolarHBondContact O-CA 3.4Å; T360-Q363 VanDerWaalsContact O-CB 3.31Å; T360-Q363 WeakPolarHBondContact O-CB 3.42Å; T360-Q363 PolarHBondContact O-N 3.36Å; T360-R364 WeakPolarHBondContact O-CG 3.4Å; T360-R364 PolarHBondContact O-N 2.87Å
361G91.3Very high83.5Confident40 Ų40101.1 Ų101.141%0.41249%0.492SS..Hα-helixtrans-53.8-39179.300000114.6R364 R365G361-R364 PolarHBondContact O-N 3.4Å; G361-R365 VanDerWaalsContact O-CG 3.3Å; G361-R365 WeakPolarHBondContact O-CG 3.3Å; G361-R365 PolarHBondContact O-N 2.87Å
362Q91.1Very high85.3Confident124 Ų12497.2 Ų97.258%0.57948%0.482SS*.Hα-helixtrans-66.2-38.2173.1-68.7-164.312.400112.9T360 R364 R365 K366T360-Q362 VanDerWaalsContact C-N 3.29Å; T360-Q362 PolarHBondContact O-N 3.14Å; Q362-R364 VanDerWaalsContact C-N 3.31Å; Q362-R364 PolarHBondContact O-N 3.13Å; Q362-R365 PolarHBondContact O-N 3.32Å; Q362-K366 WeakPolarHBondContact O-CB 3.13Å; Q362-K366 PolarHBondContact O-N 3.28Å
363Q93.1Very high86.7Confident43 Ų4397.8 Ų97.820%0.20148%0.476CS..Hα-helixtrans-63.9-39.7177.5-70.7169.2-2400110.9P359 T360 H367 Q368 Y371P359-Q363 HydrophobicContact CB-CB 4.21Å; T360-Q363 WeakPolarHBondContact O-CA 3.4Å; T360-Q363 VanDerWaalsContact O-CB 3.31Å; T360-Q363 WeakPolarHBondContact O-CB 3.42Å; T360-Q363 PolarHBondContact O-N 3.36Å; Q363-H367 PolarHBondContact O-N 3.14Å; Q363-H367 VanDerWaalsContact O-N 3.14Å; Q363-Q368 HydrophobicContact CB-CB 4.18Å; Q363-Q368 HydrophobicContact CG-CB 4.23Å; Q363-Q368 PolarHBondContact O-N 3.28Å; Q363-Y371 WeakPolarHBondContact O-CB 3.44Å
364R93.6Very high88.2Confident114 Ų11491.5 Ų91.543%0.4345%0.449SS..Hα-helixtrans-63-51.4173.8-61.8177.5-177.1-150.6-7.2111.5P359 T360 G361 Q362 K366 H367 Y371P359-R364 HydrophobicContact CB-CG 4.3Å; P359-R364 HydrophobicContact CG-CG 4.33Å; P359-R364 PolarHBondContact O-NE 3.42Å; T360-R364 WeakPolarHBondContact O-CG 3.4Å; T360-R364 PolarHBondContact O-N 2.87Å; G361-R364 PolarHBondContact O-N 3.4Å; Q362-R364 VanDerWaalsContact C-N 3.31Å; Q362-R364 PolarHBondContact O-N 3.13Å; R364-K366 VanDerWaalsContact C-N 3.34Å; R364-K366 PolarHBondContact O-N 3.15Å; R364-H367 PolarHBondContact O-N 3.21Å; R364-Y371 HydrophobicContact CB-CD2 4.11Å; R364-Y371 HydrophobicContact CB-CE2 4.26Å; R364-Y371 HydrophobicContact CG-CD2 3.62Å; R364-Y371 HydrophobicContact CG-CE2 3.9Å; R364-Y371 HydrophobicContact CG-CG 4.36Å
365R94.6Very high89.6Confident214 Ų21489.2 Ų89.281%0.80844%0.443SS*.Hα-helixtrans-64.3-34.4-177.8-70.3173.7-173.8-177.22.2113.6G361 Q362G361-R365 VanDerWaalsContact O-CG 3.3Å; G361-R365 WeakPolarHBondContact O-CG 3.3Å; G361-R365 PolarHBondContact O-N 2.87Å; Q362-R365 PolarHBondContact O-N 3.32Å
366K96.6Very high90.9Very high141 Ų14183.3 Ų83.361%0.61343%0.432SS*.THydrogen-bonded Turntrans-96.14.7-178.6-68.7-177.3175.8179.10113.5Q362 R364 Q368Q362-K366 WeakPolarHBondContact O-CB 3.13Å; Q362-K366 PolarHBondContact O-N 3.28Å; R364-K366 VanDerWaalsContact C-N 3.34Å; R364-K366 PolarHBondContact O-N 3.15Å; K366-Q368 HydrophobicContact CB-CG 3.93Å; K366-Q368 PolarHBondContact O-N 3.33Å
367H94.3Very high91.9Very high120 Ų12084.1 Ų84.156%0.55641%0.414SS*.THydrogen-bonded Turntrans47.545.4-174.3-57.9-63.1000113.2Q363 R364 Y371Q363-H367 PolarHBondContact O-N 3.14Å; Q363-H367 VanDerWaalsContact O-N 3.14Å; R364-H367 PolarHBondContact O-N 3.21Å; H367-Y371 AromaticContact ND1-CD1 3.86Å; H367-Y371 AromaticContact ND1-CE1 3.59Å
368Q96.1Very high92.4Very high74 Ų7483.5 Ų83.535%0.34641%0.408SS..  trans-67.5158.5179.8-66.7-174.41.200110.9Q363 K366 T370 Y371 L372Q363-Q368 HydrophobicContact CB-CB 4.18Å; Q363-Q368 HydrophobicContact CG-CB 4.23Å; Q363-Q368 PolarHBondContact O-N 3.28Å; K366-Q368 HydrophobicContact CB-CG 3.93Å; K366-Q368 PolarHBondContact O-N 3.33Å; Q368-T370 PolarHBondContact O-N 2.68Å; Q368-T370 VanDerWaalsContact O-N 3.13Å; Q368-Y371 WeakPolarHBondContact O-CA 3.49Å; Q368-Y371 WeakPolarHBondContact O-CB 3.33Å; Q368-Y371 PolarHBondContact O-N 3.35Å; Q368-L372 PolarHBondContact O-N 3.45Å
369I93.6Very high92.6Very high130 Ų13085.6 Ų85.667%0.66741%0.413SS*.Hα-helixtrans-51.1-42.5-176.7-63.5167.9000111.5Y371 L372 I373I369-Y371 VanDerWaalsContact C-N 3.31Å; I369-Y371 PolarHBondContact O-N 3Å; I369-L372 PolarHBondContact O-N 3.5Å; I369-L372 VanDerWaalsContact O-N 3.13Å; I369-I373 HydrophobicContact CG2-CD1 3.6Å; I369-I373 HydrophobicContact CG2-CG1 4.1Å; I369-I373 WeakPolarHBondContact O-CB 3.24Å; I369-I373 VanDerWaalsContact O-CG1 3.26Å; I369-I373 WeakPolarHBondContact O-CG1 3.33Å; I369-I373 PolarHBondContact O-N 2.9Å
370T94.2Very high92.7Very high69 Ų6989.7 Ų89.742%0.42343%0.432SS..Hα-helixtrans-57.1-41.5175.9-47.80000113Q368 H374Q368-T370 PolarHBondContact O-N 2.68Å; Q368-T370 VanDerWaalsContact O-N 3.13Å; T370-H374 WeakPolarHBondContact O-CB 3.33Å; T370-H374 PolarHBondContact O-N 3.29Å
371Y94.9Very high92.4Very high51 Ų5187 Ų8720%0.241%0.414CS..Hα-helixtrans-69.3-40.9175.8173.1-108.7000111.8P359 Q363 R364 H367 Q368 I369 H374 Q375P359-Y371 HydrophobicContact CB-CD2 4.18Å; P359-Y371 HydrophobicContact CG-CD2 3.77Å; Q363-Y371 WeakPolarHBondContact O-CB 3.44Å; R364-Y371 HydrophobicContact CB-CD2 4.11Å; R364-Y371 HydrophobicContact CB-CE2 4.26Å; R364-Y371 HydrophobicContact CG-CD2 3.62Å; R364-Y371 HydrophobicContact CG-CE2 3.9Å; R364-Y371 HydrophobicContact CG-CG 4.36Å; H367-Y371 AromaticContact ND1-CD1 3.86Å; H367-Y371 AromaticContact ND1-CE1 3.59Å; Q368-Y371 WeakPolarHBondContact O-CA 3.49Å; Q368-Y371 WeakPolarHBondContact O-CB 3.33Å; Q368-Y371 PolarHBondContact O-N 3.35Å; I369-Y371 VanDerWaalsContact C-N 3.31Å; I369-Y371 PolarHBondContact O-N 3Å; Y371-H374 PolarHBondContact O-N 2.96Å; Y371-Q375 WeakPolarHBondContact O-CB 3.18Å; Y371-Q375 PolarHBondContact O-N 2.74Å
372L95.7Very high92.2Very high80 Ų8090.7 Ų90.742%0.41942%0.421SS..Hα-helixtrans-65.7-40177.9-64.4176.3000112.1Q368 I369 Q375 A376Q368-L372 PolarHBondContact O-N 3.45Å; I369-L372 PolarHBondContact O-N 3.5Å; I369-L372 VanDerWaalsContact O-N 3.13Å; L372-Q375 PolarHBondContact O-N 2.91Å; L372-A376 VanDerWaalsContact O-CB 3.27Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.2Å
373I93.2Very high92.1Very high104 Ų10490.2 Ų90.253%0.53342%0.422SS..Hα-helixtrans-60.7-48.7173.6-70.5167.9000109.8I369 Q375 A376 K377I369-I373 HydrophobicContact CG2-CD1 3.6Å; I369-I373 HydrophobicContact CG2-CG1 4.1Å; I369-I373 WeakPolarHBondContact O-CB 3.24Å; I369-I373 VanDerWaalsContact O-CG1 3.26Å; I369-I373 WeakPolarHBondContact O-CG1 3.33Å; I369-I373 PolarHBondContact O-N 2.9Å; I373-Q375 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 3.18Å; I373-A376 PolarHBondContact O-N 3.26Å; I373-K377 VanDerWaalsContact O-CB 3.23Å; I373-K377 WeakPolarHBondContact O-CB 3.27Å; I373-K377 PolarHBondContact O-N 3.47Å
374H92.1Very high91.9Very high19 Ų1992 Ų929%0.08843%0.428CS..Hα-helixtrans-59.9-44.2177.7174-100.4000111.5Q358 P359 T370 Y371 A376 K377 E378Q358-H374 PolarHBondContact NE2-NE2 3.38Å; P359-H374 HydrophobicContact CG-CB 3.84Å; P359-H374 WeakPolarHBondContact CG-ND1 3.31Å; T370-H374 WeakPolarHBondContact O-CB 3.33Å; T370-H374 PolarHBondContact O-N 3.29Å; Y371-H374 PolarHBondContact O-N 2.96Å; H374-A376 PolarHBondContact O-N 3.49Å; H374-K377 PolarHBondContact O-N 2.94Å; H374-E378 IonicContact CD2-OE1 2.81Å; H374-E378 IonicContact CE1-OE1 2.87Å; H374-E378 PolarHBondContact CE1-OE1 3.28Å; H374-E378 IonicContact CE1-OE2 3.36Å; H374-E378 PolarHBondContact CE1-OE2 3.44Å; H374-E378 IonicContact ND1-OE2 3.98Å; H374-E378 IonicContact NE2-OE1 3.98Å; H374-E378 PolarHBondContact NE2-OE1 3.04Å; H374-E378 IonicContact NE2-OE2 2.76Å; H374-E378 WeakPolarHBondContact O-CG 3.21Å; H374-E378 PolarHBondContact O-N 2.81Å
375Q93.6Very high91.7Very high52 Ų5287.8 Ų87.824%0.24342%0.415CS..Hα-helixtrans-65.4-39176.7-159.1-169.541.600112.7Y371 L372 I373 R379Y371-Q375 WeakPolarHBondContact O-CB 3.18Å; Y371-Q375 PolarHBondContact O-N 2.74Å; L372-Q375 PolarHBondContact O-N 2.91Å; I373-Q375 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 3.18Å; Q375-R379 VanDerWaalsContact CD-CZ 3.47Å; Q375-R379 VanDerWaalsContact CD-NH1 3.26Å; Q375-R379 VanDerWaalsContact CG-NH1 3.35Å; Q375-R379 WeakPolarHBondContact O-CG 3.23Å; Q375-R379 PolarHBondContact O-N 3.48Å; Q375-R379 VanDerWaalsContact OE1-NH1 3.09Å
376A91.2Very high91.5Very high53 Ų5381.9 Ų81.944%0.43840%0.399SS..Hα-helixtrans-67.7-42.3175.900000111L372 I373 H374 E378 R379 E380L372-A376 VanDerWaalsContact O-CB 3.27Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.2Å; I373-A376 PolarHBondContact O-N 3.26Å; H374-A376 PolarHBondContact O-N 3.49Å; A376-E378 VanDerWaalsContact C-N 3.33Å; A376-E378 PolarHBondContact O-N 3.22Å; A376-R379 CarbonylContact O-C 3.58Å; A376-R379 PolarHBondContact O-N 2.81Å; A376-E380 WeakPolarHBondContact O-CB 3.42Å; A376-E380 PolarHBondContact O-N 3.15Å
377K89.1Confident91.1Very high91 Ų9183.8 Ų83.840%0.39640%0.403SS..Hα-helixtrans-62.8-38.1176.6-175.7178-176.4177.10112.2D357 I373 H374D357-K377 IonicContact OD2-NZ 3.56Å; D357-K377 PolarHBondContact OD2-NZ 3.43Å; I373-K377 VanDerWaalsContact O-CB 3.23Å; I373-K377 WeakPolarHBondContact O-CB 3.27Å; I373-K377 PolarHBondContact O-N 3.47Å; H374-K377 PolarHBondContact O-N 2.94Å
378E85.6Confident90.8Very high72 Ų7280 Ų8034%0.33639%0.392SS..Hα-helixtrans-67.4-46.8173.2-74-177.6163.800111.5H374 A376 E380 I381H374-E378 IonicContact CD2-OE1 2.81Å; H374-E378 IonicContact CE1-OE1 2.87Å; H374-E378 PolarHBondContact CE1-OE1 3.28Å; H374-E378 IonicContact CE1-OE2 3.36Å; H374-E378 PolarHBondContact CE1-OE2 3.44Å; H374-E378 IonicContact ND1-OE2 3.98Å; H374-E378 IonicContact NE2-OE1 3.98Å; H374-E378 PolarHBondContact NE2-OE1 3.04Å; H374-E378 IonicContact NE2-OE2 2.76Å; H374-E378 WeakPolarHBondContact O-CG 3.21Å; H374-E378 PolarHBondContact O-N 2.81Å; A376-E378 VanDerWaalsContact C-N 3.33Å; A376-E378 PolarHBondContact O-N 3.22Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.45Å; E378-I381 PolarHBondContact O-N 3.38Å
379R91.9Very high90.5Very high116 Ų11682.2 Ų82.244%0.43840%0.402SS..Hα-helixtrans-65.7-29.2176-72.6-165.8-161.497.7-5.5113.9Q375 A376 I381 E382 L383Q375-R379 VanDerWaalsContact CD-CZ 3.47Å; Q375-R379 VanDerWaalsContact CD-NH1 3.26Å; Q375-R379 VanDerWaalsContact CG-NH1 3.35Å; Q375-R379 WeakPolarHBondContact O-CG 3.23Å; Q375-R379 PolarHBondContact O-N 3.48Å; Q375-R379 VanDerWaalsContact OE1-NH1 3.09Å; A376-R379 CarbonylContact O-C 3.58Å; A376-R379 PolarHBondContact O-N 2.81Å; R379-I381 VanDerWaalsContact C-N 3.26Å; R379-I381 PolarHBondContact O-N 3.37Å; R379-E382 PolarHBondContact O-N 3Å; R379-L383 WeakPolarHBondContact O-CB 3.26Å; R379-L383 VanDerWaalsContact O-CG 3.32Å; R379-L383 WeakPolarHBondContact O-CG 3.47Å; R379-L383 PolarHBondContact O-N 2.95Å
380E88.9Confident90.5Very high91 Ų9180.8 Ų80.843%0.42540%0.396SS..Hα-helixtrans-58.8-41.5178.9-173.4-167.3159.800110.8A376 E378 L383 K384A376-E380 WeakPolarHBondContact O-CB 3.42Å; A376-E380 PolarHBondContact O-N 3.15Å; E378-E380 VanDerWaalsContact C-N 3.3Å; E378-E380 PolarHBondContact O-N 3.45Å; E380-L383 PolarHBondContact O-N 2.92Å; E380-K384 HydrophobicContact CG-CD 4.23Å; E380-K384 WeakPolarHBondContact O-CB 3.35Å; E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.36Å; E380-K384 PolarHBondContact O-N 3.13Å; E380-K384 WeakPolarHBondContact OE1-CE 3.38Å; E380-K384 IonicContact OE1-NZ 2.68Å; E380-K384 PolarHBondContact OE1-NZ 3.1Å
381I85.4Confident90.4Very high28 Ų2885.3 Ų85.314%0.14441%0.405CS..Hα-helixtrans-69.3-42179.8-70.7153000110.9Q346 E378 R379 L383 K384 N385Q346-I381 HydrophobicContact CB-CD1 3.76Å; Q346-I381 HydrophobicContact CG-CD1 3.38Å; E378-I381 PolarHBondContact O-N 3.38Å; R379-I381 VanDerWaalsContact C-N 3.26Å; R379-I381 PolarHBondContact O-N 3.37Å; I381-L383 VanDerWaalsContact C-N 3.35Å; I381-L383 PolarHBondContact O-N 3.43Å; I381-K384 PolarHBondContact O-N 3.24Å; I381-N385 WeakPolarHBondContact O-CB 3.39Å; I381-N385 PolarHBondContact O-N 3.49Å; I381-N385 PolarHBondContact O-ND2 3.44Å
382E87.4Confident90.1Very high119 Ų11986.8 Ų86.856%0.55642%0.415SS*.Hα-helixtrans-61.4-44173.5-65175.8-176.700111.4R379 N385 N386R379-E382 PolarHBondContact O-N 3Å; E382-N385 PolarHBondContact O-N 2.94Å; E382-N386 WeakPolarHBondContact O-CB 3.44Å; E382-N386 PolarHBondContact O-N 3.3Å; E382-N386 PolarHBondContact O-ND2 3.49Å
383L89Confident89.9Confident114 Ų11485.9 Ų85.960%0.59741%0.413SS*.Hα-helixtrans-64.8-39.8177.8-76.4170.4000112.1R379 E380 I381 N386 W387R379-L383 WeakPolarHBondContact O-CB 3.26Å; R379-L383 VanDerWaalsContact O-CG 3.32Å; R379-L383 WeakPolarHBondContact O-CG 3.47Å; R379-L383 PolarHBondContact O-N 2.95Å; E380-L383 PolarHBondContact O-N 2.92Å; I381-L383 VanDerWaalsContact C-N 3.35Å; I381-L383 PolarHBondContact O-N 3.43Å; L383-N386 PolarHBondContact O-N 2.92Å; L383-W387 VanDerWaalsContact O-CB 3.24Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 3.43Å
384K88.8Confident89.9Confident79 Ų7989.4 Ų89.434%0.34342%0.42SS..Hα-helixtrans-62.8-46174.7-79.5171.9167.7174.60111.6E380 I381 W387 A388E380-K384 HydrophobicContact CG-CD 4.23Å; E380-K384 WeakPolarHBondContact O-CB 3.35Å; E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.36Å; E380-K384 PolarHBondContact O-N 3.13Å; E380-K384 WeakPolarHBondContact OE1-CE 3.38Å; E380-K384 IonicContact OE1-NZ 2.68Å; E380-K384 PolarHBondContact OE1-NZ 3.1Å; I381-K384 PolarHBondContact O-N 3.24Å; K384-W387 PolarHBondContact O-N 3.3Å; K384-A388 WeakPolarHBondContact O-CB 3.43Å; K384-A388 PolarHBondContact O-N 2.74Å
385N88.7Confident89.8Confident26 Ų2696.9 Ų96.914%0.13945%0.447CS..Hα-helixtrans-63.4-45.2176.7-72.4-21000111.6E343 E344 I381 E382 W387 A388 E389E343-N385 WeakPolarHBondContact CG-ND2 3.45Å; E344-N385 WeakPolarHBondContact CB-OD1 3.32Å; E344-N385 PolarHBondContact N-OD1 2.89Å; E344-N385 PolarHBondContact O-ND2 3.11Å; I381-N385 WeakPolarHBondContact O-CB 3.39Å; I381-N385 PolarHBondContact O-N 3.49Å; I381-N385 PolarHBondContact O-ND2 3.44Å; E382-N385 PolarHBondContact O-N 2.94Å; N385-W387 VanDerWaalsContact C-N 3.31Å; N385-W387 PolarHBondContact O-N 2.76Å; N385-A388 PolarHBondContact O-N 3.34Å; N385-E389 WeakPolarHBondContact O-CB 3.43Å; N385-E389 PolarHBondContact O-N 3.02Å
386N90.3Very high89.7Confident91 Ų91100.1 Ų100.149%0.48746%0.462SS..Hα-helixtrans-62.3-38.4175.3-71-25.2000112E382 L383 N390E382-N386 WeakPolarHBondContact O-CB 3.44Å; E382-N386 PolarHBondContact O-N 3.3Å; E382-N386 PolarHBondContact O-ND2 3.49Å; L383-N386 PolarHBondContact O-N 2.92Å; N386-N390 WeakPolarHBondContact O-CB 3.49Å; N386-N390 PolarHBondContact O-N 2.96Å
387W89.9Confident89.9Confident180 Ų180100.3 Ų100.368%0.68246%0.458SS*.Hα-helixtrans-68.1-42.4177.1-173.861.9000111.6L383 K384 N385 R391L383-W387 VanDerWaalsContact O-CB 3.24Å; L383-W387 WeakPolarHBondContact O-CB 3.47Å; L383-W387 PolarHBondContact O-N 3.43Å; K384-W387 PolarHBondContact O-N 3.3Å; N385-W387 VanDerWaalsContact C-N 3.31Å; N385-W387 PolarHBondContact O-N 2.76Å; W387-R391 WeakPolarHBondContact O-CB 3.32Å; W387-R391 PolarHBondContact O-N 2.93Å
388A87.9Confident90.1Very high40 Ų40100.8 Ų100.833%0.33146%0.462SS..Hα-helixtrans-62.1-44.217400000111.5K384 N385 R391 M392K384-A388 WeakPolarHBondContact O-CB 3.43Å; K384-A388 PolarHBondContact O-N 2.74Å; N385-A388 PolarHBondContact O-N 3.34Å; A388-R391 PolarHBondContact O-N 2.92Å; A388-M392 WeakPolarHBondContact O-CB 3.38Å; A388-M392 WeakPolarHBondContact O-CG 3.31Å; A388-M392 PolarHBondContact O-N 3.25Å
389E89.6Confident90.4Very high121 Ų121101.5 Ų101.557%0.56548%0.48SS*.Hα-helixtrans-62.9-51176.2-175.9169.8-156.600111.1N385 R391 M392 T393N385-E389 WeakPolarHBondContact O-CB 3.43Å; N385-E389 PolarHBondContact O-N 3.02Å; E389-R391 VanDerWaalsContact C-N 3.26Å; E389-R391 PolarHBondContact O-N 3.25Å; E389-M392 CarbonylContact O-C 3.53Å; E389-M392 WeakPolarHBondContact O-CA 3.3Å; E389-M392 WeakPolarHBondContact O-CB 3.42Å; E389-M392 PolarHBondContact O-N 3.26Å; E389-T393 PolarHBondContact O-N 3.34Å; E389-T393 PolarHBondContact O-OG1 3.1Å; E389-T393 VanDerWaalsContact O-OG1 3.05Å
390N93.3Very high90.6Very high100 Ų100103.1 Ų103.154%0.53549%0.49SS..Hα-helixtrans-60.7-38.2178.5-164.4-21.2000111.4N386 T393 R394N386-N390 WeakPolarHBondContact O-CB 3.49Å; N386-N390 PolarHBondContact O-N 2.96Å; N390-T393 PolarHBondContact O-N 3.29Å; N390-R394 VanDerWaalsContact O-CB 3.3Å; N390-R394 WeakPolarHBondContact O-CB 3.42Å; N390-R394 PolarHBondContact O-N 3.33Å
391R92.5Very high90.9Very high164 Ų164105 Ų10562%0.61949%0.494SS*.Hα-helixtrans-64-42173-170.4174.3-173.789.92.4111.8W387 A388 E389 R394 R395W387-R391 WeakPolarHBondContact O-CB 3.32Å; W387-R391 PolarHBondContact O-N 2.93Å; A388-R391 PolarHBondContact O-N 2.92Å; E389-R391 VanDerWaalsContact C-N 3.26Å; E389-R391 PolarHBondContact O-N 3.25Å; R391-R394 PolarHBondContact O-N 3.37Å; R391-R395 WeakPolarHBondContact O-CB 3.41Å; R391-R395 PolarHBondContact O-N 2.98Å
392M88Confident91.3Very high82 Ų82106.9 Ų106.940%0.40452%0.521SS..Hα-helixtrans-65.4-45.3175.2-78.9-63.7-70.300111.9A388 E389 R394 R395 Q396A388-M392 WeakPolarHBondContact O-CB 3.38Å; A388-M392 WeakPolarHBondContact O-CG 3.31Å; A388-M392 PolarHBondContact O-N 3.25Å; E389-M392 CarbonylContact O-C 3.53Å; E389-M392 WeakPolarHBondContact O-CA 3.3Å; E389-M392 WeakPolarHBondContact O-CB 3.42Å; E389-M392 PolarHBondContact O-N 3.26Å; M392-R394 VanDerWaalsContact C-N 3.33Å; M392-R394 PolarHBondContact O-N 3.22Å; M392-R395 CarbonylContact O-C 3.57Å; M392-R395 WeakPolarHBondContact O-CB 3.45Å; M392-R395 PolarHBondContact O-N 2.96Å; M392-R395 VanDerWaalsContact O-N 3.16Å; M392-Q396 WeakPolarHBondContact O-CB 3.35Å; M392-Q396 VanDerWaalsContact O-CG 3.3Å; M392-Q396 WeakPolarHBondContact O-CG 3.36Å; M392-Q396 PolarHBondContact O-N 2.91Å
393T90.8Very high90.3Very high62 Ų62110.2 Ų110.238%0.3853%0.534SS..Hα-helixtrans-61.9-40.8175.7-54.50000111.2E389 N390 Q396 T397E389-T393 PolarHBondContact O-N 3.34Å; E389-T393 PolarHBondContact O-OG1 3.1Å; E389-T393 VanDerWaalsContact O-OG1 3.05Å; N390-T393 PolarHBondContact O-N 3.29Å; T393-Q396 PolarHBondContact O-N 3.06Å; T393-T397 WeakPolarHBondContact O-CB 3.42Å; T393-T397 PolarHBondContact O-N 3.14Å; T393-T397 PolarHBondContact O-OG1 3.08Å
394R93Very high90.4Very high178 Ų178110 Ų11067%0.67253%0.531SS*.Hα-helixtrans-61.1-45.8173.2-175.2179.7-73.7179.9-4.4110.8N390 R391 M392 Q396 T397 Q398N390-R394 VanDerWaalsContact O-CB 3.3Å; N390-R394 WeakPolarHBondContact O-CB 3.42Å; N390-R394 PolarHBondContact O-N 3.33Å; R391-R394 PolarHBondContact O-N 3.37Å; M392-R394 VanDerWaalsContact C-N 3.33Å; M392-R394 PolarHBondContact O-N 3.22Å; R394-Q396 PolarHBondContact O-N 3.01Å; R394-T397 PolarHBondContact O-N 3.24Å; R394-Q398 WeakPolarHBondContact O-CB 3.35Å; R394-Q398 PolarHBondContact O-N 3.02Å
395R91.6Very high90.5Very high175 Ų175111.6 Ų111.666%0.6654%0.54SS*.Hα-helixtrans-63.7-39.6176.2-171.1-178.7-180-172.80.5112.4R391 M392 A399R391-R395 WeakPolarHBondContact O-CB 3.41Å; R391-R395 PolarHBondContact O-N 2.98Å; M392-R395 CarbonylContact O-C 3.57Å; M392-R395 WeakPolarHBondContact O-CB 3.45Å; M392-R395 PolarHBondContact O-N 2.96Å; M392-R395 VanDerWaalsContact O-N 3.16Å; R395-A399 VanDerWaalsContact O-CB 3.28Å; R395-A399 WeakPolarHBondContact O-CB 3.49Å; R395-A399 PolarHBondContact O-N 2.95Å
396Q91.6Very high90.6Very high121 Ų121116.4 Ų116.457%0.56556%0.563SS**Hα-helixtrans-64.8-42175.2-74.1173.76.600111.3M392 T393 R394 A399 K400M392-Q396 WeakPolarHBondContact O-CB 3.35Å; M392-Q396 VanDerWaalsContact O-CG 3.3Å; M392-Q396 WeakPolarHBondContact O-CG 3.36Å; M392-Q396 PolarHBondContact O-N 2.91Å; T393-Q396 PolarHBondContact O-N 3.06Å; R394-Q396 PolarHBondContact O-N 3.01Å; Q396-A399 PolarHBondContact O-N 3.45Å; Q396-K400 VanDerWaalsContact O-CB 3.27Å; Q396-K400 WeakPolarHBondContact O-CB 3.38Å; Q396-K400 PolarHBondContact O-N 3.26Å
397T93.9Very high90.6Very high57 Ų57117.9 Ų117.935%0.3557%0.567SS.*Hα-helixtrans-64.4-47.2176.6-56.80000110.3T393 R394 A399 K400 Y401T393-T397 WeakPolarHBondContact O-CB 3.42Å; T393-T397 PolarHBondContact O-N 3.14Å; T393-T397 PolarHBondContact O-OG1 3.08Å; R394-T397 PolarHBondContact O-N 3.24Å; T397-A399 VanDerWaalsContact C-N 3.33Å; T397-A399 PolarHBondContact O-N 3.36Å; T397-K400 PolarHBondContact O-N 3.14Å; T397-K400 VanDerWaalsContact O-N 3.14Å; T397-Y401 HydrophobicContact CG2-CD2 3.67Å; T397-Y401 HydrophobicContact CG2-CE2 4.04Å; T397-Y401 VanDerWaalsContact O-CD2 3.26Å; T397-Y401 WeakPolarHBondContact O-CD2 3.27Å; T397-Y401 PolarHBondContact O-N 3.41Å
398Q94.9Very high90.6Very high100 Ų100114 Ų11447%0.46756%0.56SS.*Hα-helixtrans-61.2-40174.8-175.4177.525.500111.7R394 K400 G402 F403R394-Q398 WeakPolarHBondContact O-CB 3.35Å; R394-Q398 PolarHBondContact O-N 3.02Å; Q398-K400 VanDerWaalsContact C-N 3.33Å; Q398-G402 WeakPolarHBondContact O-CA 3.43Å; Q398-G402 PolarHBondContact O-N 3.08Å; Q398-F403 WeakPolarHBondContact CG-O 3.3Å
399A92Very high90.8Very high87 Ų87118.9 Ų118.972%0.71958%0.575SS**Hα-helixtrans-67.4-35175.300000112.3R395 Q396 T397R395-A399 VanDerWaalsContact O-CB 3.28Å; R395-A399 WeakPolarHBondContact O-CB 3.49Å; R395-A399 PolarHBondContact O-N 2.95Å; Q396-A399 PolarHBondContact O-N 3.45Å; T397-A399 VanDerWaalsContact C-N 3.33Å; T397-A399 PolarHBondContact O-N 3.36Å
400K95.8Very high90.9Very high150 Ų150118.8 Ų118.865%0.65258%0.576SS**Hα-helixtrans-75.8-36.8-179.3-174.6172.1179-174.70112.7Q396 T397 Q398Q396-K400 VanDerWaalsContact O-CB 3.27Å; Q396-K400 WeakPolarHBondContact O-CB 3.38Å; Q396-K400 PolarHBondContact O-N 3.26Å; T397-K400 PolarHBondContact O-N 3.14Å; T397-K400 VanDerWaalsContact O-N 3.14Å; Q398-K400 VanDerWaalsContact C-N 3.33Å
401Y95.5Very high90.7Very high130 Ų130120.2 Ų120.251%0.5158%0.579SS.*Hα-helixtrans-119.9-6.2-171.1-54.1-70.2000114.6T397 F403T397-Y401 HydrophobicContact CG2-CD2 3.67Å; T397-Y401 HydrophobicContact CG2-CE2 4.04Å; T397-Y401 VanDerWaalsContact O-CD2 3.26Å; T397-Y401 WeakPolarHBondContact O-CD2 3.27Å; T397-Y401 PolarHBondContact O-N 3.41Å; Y401-F403 VanDerWaalsContact C-N 3.31Å; Y401-F403 HydrophobicContact CG-CE1 4.12Å; Y401-F403 WeakPolarHBondContact O-CD1 3.27Å; Y401-F403 PolarHBondContact O-N 3.22Å
402G91.8Very high90.6Very high68 Ų68116.6 Ų116.670%0.70158%0.576SS**  trans76.24.1170.100000116.6Q398Q398-G402 WeakPolarHBondContact O-CA 3.43Å; Q398-G402 PolarHBondContact O-N 3.08Å
403F67.9Low90.8Very high189 Ų189119.7 Ų119.783%0.82959%0.591SS**  trans-114017961.6-102.4000113.1Q398 Y401Q398-F403 WeakPolarHBondContact CG-O 3.3Å; Y401-F403 VanDerWaalsContact C-N 3.31Å; Y401-F403 HydrophobicContact CG-CE1 4.12Å; Y401-F403 WeakPolarHBondContact O-CD1 3.27Å; Y401-F403 PolarHBondContact O-N 3.22Å

Retrieved 403 of 403 residues in 107.1 ms (Link to these results)