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Far upstream element-binding protein 2

Part of a ternary complex that binds to the downstream control sequence (DCS) of the pre-mRNA. Mediates exon inclusion in transcripts that are subject to tissue-specific alternative splicing. May interact with single-stranded DNA from the far-upstream element (FUSE). May activate gene expression. Also involved in degradation of inherently unstable mRNAs that contain AU-rich elements (AREs) in their 3'-UTR, possibly by recruiting degradation machinery to ARE-containing mRNAs (By similarity). Binds to the dendritic targeting element and may play a role in mRNA trafficking.

AlphaFold DB , UniProt , Accession Q99PF5, Species RAT (Rattus norvegicus, Rat), Gene Khsrp, Length 721 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
1M38.3Very low55Low229 Ų229136.3 Ų136.3100%1.12884%0.843SS**  061.10-66.5158.6164.600106
2S41.9Very low56.3Low102 Ų102130.4 Ų130.471%0.71383%0.83SS**  72.612064.6-48.40000108.7
3D57.7Low57.7Low158 Ų158130.2 Ų130.285%0.84583%0.829SS**  cis-133.9153.427.5-70.4-62.6000115.9
4Y47Very low58.7Low225 Ų225129.5 Ų129.588%0.88283%0.826SS**  trans-107.2134.5165-111.3-101.2000107.5
5S54.8Low59.5Low124 Ų124128.7 Ų128.787%0.86782%0.822SS**  trans-153.5144155-158.40000111.4
6T49.6Very low60Low129 Ų129128.8 Ų128.879%0.79182%0.823SS**  trans-115.3157.6-164.542.50000112.5
7G48Very low60Low84 Ų84127.5 Ų127.587%0.86683%0.827SS**  trans123.3133.8147.200000117.8
8G58.1Low59.5Low72 Ų72125.1 Ų125.174%0.74283%0.829SS**  trans121.7106.7156.400000116.5
9P68.5Low59.2Low125 Ų125122.6 Ų122.681%0.81283%0.828SS**PPolyproline II helixtrans-77.3156.7162.133.2-33.5000111.7
10P70.2Confident58.8Low120 Ų120120.9 Ų120.978%0.77983%0.832SS**PPolyproline II helixtrans-76.8151.8-174.630.7-35.8000114
11P71.2Confident58.1Low131 Ų131119.1 Ų119.185%0.85183%0.833SS**PPolyproline II helixtrans-80.415218033-35.6000113.6
12G70.5Confident58.6Low66 Ų66112.3 Ų112.368%0.6882%0.822SS**PPolyproline II helixtrans-84.7168.1176.400000114.9
13P74.2Confident58.8Low127 Ų127112.6 Ų112.683%0.82583%0.831SS**PPolyproline II helixtrans-77154.2-175.531.3-35.8000114.1
14P72Confident58.3Low121 Ų121110.4 Ų110.479%0.78684%0.835SS**PPolyproline II helixtrans-83.8157.7-175.633.9-36.6000114.5
15P70.8Confident58.2Low117 Ų117103.1 Ų103.176%0.7683%0.828SS**PPolyproline II helixtrans-80.5157176.633.6-35.9000113.5
16P67.3Low57.8Low130 Ų130102.7 Ų102.784%0.84483%0.831SS**PPolyproline II helixtrans-75.4144.2177.930.9-34.8000112.9
17A59.7Low57.6Low108 Ų108100.6 Ų100.689%0.89384%0.836SS**PPolyproline II helixtrans-80.8130.6-178.700000112.7
18G51Low57.4Low83 Ų83100.8 Ų100.886%0.85684%0.837SS**PPolyproline II helixtrans-95.9136.9168.800000111.8
19G53.5Low57.2Low79 Ų79100.7 Ų100.781%0.81484%0.836SS**  trans-118.1114172.300000111.6
20G52.8Low57Low87 Ų87100.6 Ų100.690%0.89784%0.836SS**  trans-77.4175.3154.300000110
21G42.6Very low56.6Low84 Ų84100.7 Ų100.787%0.86684%0.836SS**  cis168.5150.80.800000107.8
22G48.8Very low56.6Low87 Ų87100.5 Ų100.590%0.89784%0.836SS**  trans-173.5120.6-178.400000111.8
23A45.8Very low56.1Low108 Ų108100.4 Ų100.489%0.89383%0.834SS**  trans-123.9132.1-169.100000112.7
24A47.3Very low55.5Low112 Ų112100.3 Ų100.393%0.92683%0.833SS**  trans174.2145155.200000107.5
25G45.3Very low55.3Low72 Ų72100.9 Ų100.974%0.74284%0.837SS**  cis166.9119.6-7.700000111.2
26A46.2Very low54.1Low114 Ų11499 Ų9994%0.94284%0.839SS**  trans61.7141162.100000121.8
27G45.7Very low53.2Low86 Ų8698.2 Ų98.289%0.88784%0.844SS**  trans94.6127.5168.500000114.2
28G44Very low52.5Low87 Ų8796.4 Ų96.490%0.89784%0.835SS**  cis137.785.93.100000111
29G53.7Low52.3Low70 Ų7099.9 Ų99.972%0.72283%0.834SS**  trans175.5130.7177.400000113.2
30P63.7Low52.1Low124 Ų124107.5 Ų107.581%0.80584%0.838SS**PPolyproline II helixtrans-78.8161.8178.132.9-34.9000112.6
31P63.2Low51.7Low121 Ų121107.3 Ų107.379%0.78684%0.836SS**PPolyproline II helixtrans-75.2149.8-174.130.7-36.2000113.4
32P71.1Confident51.7Low128 Ų128107.2 Ų107.283%0.83184%0.835SS**PPolyproline II helixtrans-73.3133.4171.230.4-33.3000111.4
33G58.9Low51.4Low63 Ų63107.3 Ų107.365%0.64984%0.836SS**PPolyproline II helixtrans-78.9171.1173.600000113.8
34P62.6Low51.4Low125 Ų125105.7 Ų105.781%0.81283%0.83SS**PPolyproline II helixtrans-74.4148.4-178.431.3-35.3000112.5G36P34-G36 PolarHBondContact O-N 2.92Å
35P67.6Low51.6Low134 Ų134107.2 Ų107.287%0.8783%0.83SS**PPolyproline II helixtrans-73117.9176.128.8-33000111.6
36G45.2Very low51.4Low76 Ų76106.4 Ų106.478%0.78482%0.823SS**PPolyproline II helixtrans-82.1172.817200000113.8P34P34-G36 PolarHBondContact O-N 2.92Å
37A47.6Very low51.1Low115 Ų115103.7 Ų103.795%0.9581%0.805SS**PPolyproline II helixtrans-81.9159.3-169.700000115.8
38G46.3Very low50.9Low69 Ų69101.4 Ų101.471%0.71178%0.782SS**  trans-174.199.7162.800000107.7
39D46.8Very low51Low156 Ų156100.2 Ų100.283%0.83477%0.77SS**  84.4145.783.6-168.9-103.9000113.6
40R48.4Very low50.8Low240 Ų240103.7 Ų103.791%0.90678%0.78SS**  trans92.3120.7-161.4-59.6173.3179.7-166.6-0.1113.9
41G43.8Very low49.7Very low82 Ų82101.8 Ų101.885%0.84578%0.783SS**  cis130.4118.1-6.400000113.5
42G43.5Very low48.4Very low82 Ų82100 Ų10085%0.84579%0.785SS**  trans117.7107.2154.800000119.6
43G42.8Very low46.9Very low90 Ų9098.1 Ų98.193%0.92879%0.79SS**  trans78.7148.4152.300000118.3
44G46Very low45.9Very low74 Ų7498.7 Ų98.776%0.76380%0.795SS**  cis161.9148.2-2.800000110.7
45P50.3Low45.1Very low143 Ų14397.6 Ų97.693%0.92980%0.797SS**  trans-122.9174.5-148.741.4-29.1000118.5
46G41.9Very low44Very low56 Ų5696.9 Ų96.958%0.57780%0.795SS**  trans139.5161.2169.200000113.8
47G40.6Very low43.8Very low56 Ų5697.4 Ų97.458%0.57780%0.801SS**  cis164.8136.3-11.800000112.4N550G47-N550 CarbonylContact C-O 3.17Å; G47-N550 VanDerWaalsContact CA-O 3.26Å; G47-N550 WeakPolarHBondContact CA-O 3.43Å
48G41.3Very low43.4Very low38 Ų3895.4 Ų95.439%0.39279%0.792SS.*  trans76.5157.4177.200000116.3G549 N550 T551G48-G549 CarbonylContact O-C 3.23Å; G48-G549 VanDerWaalsContact O-O 3.07Å; G48-N550 PolarHBondContact N-O 3.05Å; G48-N550 PolarHBondContact O-N 2.82Å; G48-T551 VanDerWaalsContact CA-OG1 3.31Å; G48-T551 WeakPolarHBondContact CA-OG1 3.29Å
49G45.9Very low43.6Very low63 Ų6398.2 Ų98.265%0.64980%0.797SS**  cis-179.5164.9-9.600000111.2T551G49-T551 PolarHBondContact N-OG1 2.95Å
50P49.4Very low43.4Very low143 Ų14396.9 Ų96.993%0.92980%0.8SS**  trans-111.4168.1-162.540.8-35.4000118
51G40.2Very low43Very low84 Ų8494.2 Ų94.287%0.86680%0.798SS**  trans143.2155169.200000112.6
52G36.6Very low43.1Very low82 Ų8295.1 Ų95.185%0.84579%0.789SS**  cis161.9129.8-6.100000111.9
53G38.2Very low43.3Very low90 Ų9096.9 Ų96.993%0.92879%0.786SS**  trans86.4151.4174.700000116.3
54G38.5Very low42.9Very low74 Ų7496.5 Ų96.576%0.76378%0.781SS**  cis172.4169.3-6.100000113
55A46Very low42.4Very low103 Ų10397.2 Ų97.285%0.85179%0.789SS**  trans69.2146.517000000118.6
56S45.8Very low41.4Very low118 Ų11894.5 Ų94.583%0.82579%0.787SS**  cis-172.5149-11.247.80000113.4
57G40.3Very low41Very low87 Ų8795.2 Ų95.290%0.89779%0.794SS**  trans86.9145159.500000116.7
58G39.2Very low40.8Very low74 Ų7499.1 Ų99.176%0.76381%0.81SS**  cis-173.7168.40.900000110.9
59P50.3Low40.4Very low127 Ų12799.8 Ų99.883%0.82582%0.816SS**  trans-121.6160.1-138.640.2-31.6000117.9
60S43Very low40.5Very low129 Ų129104.6 Ų104.690%0.90283%0.825SS**  trans-155.6140149.2-52.80000111.4
61Q39.2Very low40.6Very low184 Ų184108.8 Ų108.886%0.8682%0.823SS**  trans-146.9-174.9-176.3-130.2-16728.900106.9
62P46.9Very low41.1Very low100 Ų100113.2 Ų113.265%0.64982%0.818SS**  cis-132.2-142.4-21.643.1-23.8000109.1
63P47.2Very low41.9Very low120 Ų120115.2 Ų115.278%0.77981%0.809SS**  cis-129.2163.6-28.434.7-17.6000115.6
64G33.8Very low42.8Very low81 Ų81114.3 Ų114.384%0.83579%0.793SS**  trans102.4145.6134.900000120.3
65G35.4Very low43.9Very low89 Ų89117.7 Ų117.792%0.91879%0.787SS**  trans107103.5162.900000115.9
66G30Very low44.9Very low86 Ų86115.1 Ų115.189%0.88777%0.765SS**  trans-109.5170.1172.400000113.2
67G33.1Very low46Very low72 Ų72113 Ų11374%0.74275%0.745SS**  trans139.8144.2170.500000114.4
68P37.1Very low47.2Very low138 Ų138111.4 Ų111.490%0.89672%0.723SS**  trans-91113.9-169.233.7-33.4000113.9
69G33.3Very low48.9Very low51 Ų51110.6 Ų110.653%0.52670%0.703SS.*  trans-103.7-28.3-17300000118.6R71G69-R71 PolarHBondContact O-N 3.49Å
70I47.1Very low50.1Low164 Ų164110.7 Ų110.784%0.84169%0.693SS**THydrogen-bonded Turntrans-70.5-5.2-152.5-56.2174.2000115.7
71R51.5Low51.4Low232 Ų232111.9 Ų111.988%0.87568%0.678SS**THydrogen-bonded Turntrans-98.5-9.1-172.7-80.2-171.7-82.5177.6-6.2116.8G69G69-R71 PolarHBondContact O-N 3.49Å
72K50.1Low52.7Low176 Ų176106 Ų10677%0.76566%0.66SS**SBendtrans-92.7-38.6-172.7-109.6170.5177.5175.40114.7F75 A76K72-F75 PolarHBondContact O-N 2.72Å; K72-A76 PolarHBondContact O-N 2.58Å
73D55.1Low53.8Low125 Ų125110.3 Ų110.367%0.66866%0.663SS**Hα-helixtrans-75.2-35.9-174-49.2-54.9000112.5F75 A76 D77D73-F75 PolarHBondContact O-N 3.2Å; D73-A76 PolarHBondContact O-N 3.23Å; D73-D77 PolarHBondContact O-N 2.79Å; D73-D77 VanDerWaalsContact O-N 3.13Å
74A56.4Low55.1Low71 Ų71111.6 Ų111.659%0.58766%0.659SS**Hα-helixtrans-62.9-27.8174.200000113.1A78A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 2.77Å
75F61.4Low56.4Low145 Ų145112.7 Ų112.764%0.63665%0.645SS**Hα-helixtrans-77.9-37.4175.6-172.5-100.1000111.7K72 D73 A78 V79K72-F75 PolarHBondContact O-N 2.72Å; D73-F75 PolarHBondContact O-N 3.2Å; F75-A78 PolarHBondContact O-N 2.75Å; F75-V79 HydrophobicContact CD1-CG2 4.11Å; F75-V79 HydrophobicContact CE1-CG2 3.77Å; F75-V79 HydrophobicContact CE2-CG2 4.37Å; F75-V79 HydrophobicContact CZ-CG2 3.91Å; F75-V79 WeakPolarHBondContact O-CB 3.33Å; F75-V79 VanDerWaalsContact O-CG2 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.1Å; F75-V79 PolarHBondContact O-N 3.07Å
76A67.4Low57.5Low48 Ų48111.5 Ų111.540%0.39763%0.626SS.*Hα-helixtrans-62.1-47.8175.700000111.9K72 D73 A78 V79 Q80K72-A76 PolarHBondContact O-N 2.58Å; D73-A76 PolarHBondContact O-N 3.23Å; A76-A78 PolarHBondContact O-N 3.49Å; A76-V79 PolarHBondContact O-N 3.04Å; A76-Q80 PolarHBondContact O-N 3.04Å
77D68.3Low58.8Low74 Ų74111.3 Ų111.340%0.39662%0.616SS.*Hα-helixtrans-64.9-39.2178.6-166.368.9000112D73 Q80 R81D73-D77 PolarHBondContact O-N 2.79Å; D73-D77 VanDerWaalsContact O-N 3.13Å; D77-Q80 PolarHBondContact O-N 2.87Å; D77-R81 WeakPolarHBondContact O-CG 2.95Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.66Å; D77-R81 PolarHBondContact OD2-NE 2.95Å; D77-R81 IonicContact OD2-NH2 3.59Å; D77-R81 PolarHBondContact OD2-NH2 2.78Å
78A64.6Low60Low54 Ų54116.9 Ų116.945%0.44662%0.62SS.*Hα-helixtrans-63.1-42.5174.600000112.7A74 F75 A76 R81 A82A74-A78 WeakPolarHBondContact O-CB 3.47Å; A74-A78 PolarHBondContact O-N 2.77Å; F75-A78 PolarHBondContact O-N 2.75Å; A76-A78 PolarHBondContact O-N 3.49Å; A78-R81 PolarHBondContact O-N 3.3Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.21Å
79V75Confident60.9Low56 Ų56116.8 Ų116.834%0.33961%0.611SS.*Hα-helixtrans-69.4-35.7177.4170.90000111.7F75 A76 A82 R83F75-V79 HydrophobicContact CD1-CG2 4.11Å; F75-V79 HydrophobicContact CE1-CG2 3.77Å; F75-V79 HydrophobicContact CE2-CG2 4.37Å; F75-V79 HydrophobicContact CZ-CG2 3.91Å; F75-V79 WeakPolarHBondContact O-CB 3.33Å; F75-V79 VanDerWaalsContact O-CG2 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.1Å; F75-V79 PolarHBondContact O-N 3.07Å; A76-V79 PolarHBondContact O-N 3.04Å; V79-A82 PolarHBondContact O-N 2.84Å; V79-R83 WeakPolarHBondContact O-CG 3.29Å; V79-R83 PolarHBondContact O-N 2.94Å
80Q76Confident61.4Low129 Ų129118.1 Ų118.160%0.60362%0.624SS**Hα-helixtrans-67.3-41.6174.3-77.4177.9-69.900112.3A76 D77 R83 Q84A76-Q80 PolarHBondContact O-N 3.04Å; D77-Q80 PolarHBondContact O-N 2.87Å; Q80-R83 PolarHBondContact O-N 2.88Å; Q80-Q84 PolarHBondContact O-N 3.43Å
81R70.4Confident60.8Low155 Ų155113.3 Ų113.359%0.58562%0.615SS**Hα-helixtrans-64-42.9172.4-68.5-175.4-151.7-151.94.5112.2D77 A78 R83 Q84 I85D77-R81 WeakPolarHBondContact O-CG 2.95Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.68Å; D77-R81 IonicContact OD2-NE 3.66Å; D77-R81 PolarHBondContact OD2-NE 2.95Å; D77-R81 IonicContact OD2-NH2 3.59Å; D77-R81 PolarHBondContact OD2-NH2 2.78Å; A78-R81 PolarHBondContact O-N 3.3Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.03Å; R81-Q84 PolarHBondContact O-N 3Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 2.76Å
82A67.4Low60.2Low59 Ų59110 Ų11049%0.48862%0.615SS.*Hα-helixtrans-59.7-41.7176.400000111.9A78 V79 I85 A86A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 3.21Å; V79-A82 PolarHBondContact O-N 2.84Å; A82-I85 PolarHBondContact O-N 2.84Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.89Å
83R69.8Low59.5Low191 Ų191106.5 Ų106.572%0.72162%0.619SS**Hα-helixtrans-65.7-39.8173.5-77.1-175.2174-161.6-1.6113.1V79 Q80 R81 A87V79-R83 WeakPolarHBondContact O-CG 3.29Å; V79-R83 PolarHBondContact O-N 2.94Å; Q80-R83 PolarHBondContact O-N 2.88Å; R81-R83 VanDerWaalsContact C-N 3.32Å; R81-R83 PolarHBondContact O-N 3.03Å; R83-A87 VanDerWaalsContact O-CB 3.28Å; R83-A87 WeakPolarHBondContact O-CB 3.35Å; R83-A87 PolarHBondContact O-N 2.98Å
84Q74.8Confident58.4Low147 Ų147105.1 Ų105.169%0.68762%0.624SS**Hα-helixtrans-64.7-37.7175-85.3-174.2-8.900112.8Q80 R81 K88Q80-Q84 PolarHBondContact O-N 3.43Å; R81-Q84 PolarHBondContact O-N 3Å; Q84-K88 WeakPolarHBondContact O-CB 3.5Å; Q84-K88 PolarHBondContact O-N 3.3Å
85I60.2Low57.5Low104 Ų104108.1 Ų108.153%0.53364%0.635SS.*Hα-helixtrans-70.6-43.6177.7-66.2164.9000110.4R81 A82 A87 K88 I89R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 2.76Å; A82-I85 PolarHBondContact O-N 2.84Å; I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.4Å; I85-K88 PolarHBondContact O-N 3.21Å; I85-K88 VanDerWaalsContact O-N 3.08Å; I85-I89 HydrophobicContact CG2-CD1 3.74Å; I85-I89 WeakPolarHBondContact O-CG1 3.36Å; I85-I89 PolarHBondContact O-N 3.05Å
86A58.1Low56.4Low64 Ų64106.7 Ų106.753%0.52964%0.639SS.*Hα-helixtrans-60.1-42.1174.100000112.4A82 K88 I89 G90A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.89Å; A86-K88 PolarHBondContact O-N 2.92Å; A86-I89 PolarHBondContact O-N 2.89Å; A86-G90 PolarHBondContact O-N 2.91Å; A86-G90 VanDerWaalsContact O-N 3.13Å
87A58.7Low55.1Low82 Ų82110.7 Ų110.768%0.67866%0.658SS**Hα-helixtrans-67.1-16.6175.800000114.1R83 I85R83-A87 VanDerWaalsContact O-CB 3.28Å; R83-A87 WeakPolarHBondContact O-CB 3.35Å; R83-A87 PolarHBondContact O-N 2.98Å; I85-A87 VanDerWaalsContact C-N 3.34Å; I85-A87 PolarHBondContact O-N 3.4Å
88K57.5Low53.6Low189 Ų189113.4 Ų113.482%0.82267%0.673SS**Hα-helixtrans-97.7-11178.9-122.8178179.6-177.70114.6Q84 I85 A86Q84-K88 WeakPolarHBondContact O-CB 3.5Å; Q84-K88 PolarHBondContact O-N 3.3Å; I85-K88 PolarHBondContact O-N 3.21Å; I85-K88 VanDerWaalsContact O-N 3.08Å; A86-K88 PolarHBondContact O-N 2.92Å
89I56.3Low52.1Low137 Ų137117.2 Ų117.270%0.70369%0.686SS**Hα-helixtrans-111.7-28.4-177.3-63.2172.7000111.2I85 A86 G91I85-I89 HydrophobicContact CG2-CD1 3.74Å; I85-I89 WeakPolarHBondContact O-CG1 3.36Å; I85-I89 PolarHBondContact O-N 3.05Å; A86-I89 PolarHBondContact O-N 2.89Å; I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.2Å
90G42.9Very low50.3Low78 Ų78121.9 Ų121.980%0.80471%0.709SS**SBendtrans-84.427.1-17900000116.1A86A86-G90 PolarHBondContact O-N 2.91Å; A86-G90 VanDerWaalsContact O-N 3.13Å
91G35.1Very low48.7Very low63 Ų63121.3 Ų121.365%0.64971%0.714SS**  trans-145.742.3-16200000116.8I89I89-G91 VanDerWaalsContact C-N 3.29Å; I89-G91 PolarHBondContact O-N 3.2Å
92D37.8Very low47.3Very low163 Ų163119.6 Ų119.687%0.87272%0.723SS**  trans-151.469.2170.7-142.3-29.7000112.9
93A35.3Very low45.8Very low103 Ų103123.1 Ų123.185%0.85173%0.734SS**SBendtrans-161.234.7174.700000114.8
94A31.9Very low44.3Very low95 Ų95124 Ų12479%0.78574%0.743SS**  trans-161.4107.4170.200000114.1
95T37.9Very low42.4Very low134 Ų134120.1 Ų120.182%0.82274%0.742SS**  trans-159.8135159.9-10.60000105.2
96T38Very low41.4Very low115 Ų115125.5 Ų125.571%0.70676%0.762SS**  cis-159.216627.4-46.40000110.6
97V41.6Very low40.4Very low132 Ų132125.8 Ų125.880%0.877%0.771SS**  trans69.9100.4159-83.70000123.2
98N35.5Very low39.4Very low131 Ų131125.5 Ų125.570%0.70178%0.776SS**  97.2108106.5-161.553.5000121.8
99N34.8Very low38.5Very low135 Ų135126.4 Ų126.472%0.72278%0.784SS**  trans34.2144.1136.6-58.7-34.4000121
100N36.4Very low37.4Very low154 Ų154127.8 Ų127.882%0.82478%0.784SS**  cis-161.215719.1-148.810.3000111.9
101T41.8Very low36.9Very low117 Ų117133.2 Ų133.272%0.71878%0.781SS**  trans-98.2168.9171.6-20.50000111.3
102P42.1Very low36.9Very low119 Ų119138.1 Ų138.177%0.77379%0.787SS**  -140.1142.178.833.1-14.1000113.9
103D35.3Very low37.4Very low133 Ų133136 Ų13671%0.71177%0.774SS**  58.3113.781.5-159.772.9000116.7
104F38.4Very low37.6Very low209 Ų209138.4 Ų138.492%0.91777%0.768SS**  trans-169.4130.7145.2-101-69.7000107.8
105G35.6Very low37.9Very low65 Ų65141.1 Ų141.167%0.6777%0.77SS**  trans-137.2174.3178.800000113.4
106F37.7Very low37.9Very low218 Ų218137.5 Ų137.596%0.95676%0.759SS**  trans-158.2152.1156.4-141.8-101.5000112.9
107G37.6Very low38Very low69 Ų69140 Ų14071%0.71177%0.768SS**  trans-85.6167.1-177.800000114.6
108G36.9Very low38.2Very low76 Ų76141.8 Ų141.878%0.78477%0.768SS**  trans-112.6-176.9-175.500000115.4
109Q39.3Very low39.1Very low209 Ų209139.9 Ų139.998%0.97776%0.762SS**  trans-157.4154.9171.2-113.7164.9-14.500114.8
110K33.6Very low39.3Very low165 Ų165140.3 Ų140.372%0.71776%0.764SS**  trans-56.8143.3-170-83.7168.7160.3170.70120.6
111R33.1Very low39.6Very low193 Ų193137.7 Ų137.773%0.72876%0.759SS**  81.9145.7125.7-80.6-168.8-60.9-165.74.2124
112Q33.3Very low39.8Very low166 Ų166140.9 Ų140.978%0.77676%0.762SS**  trans75145.9160.1-70.3170.4120.400115.5
113L48.6Very low39.6Very low117 Ų117144 Ų14461%0.61376%0.764SS**  cis-153.9168.95.2-15571.3000110
114E39Very low40Very low154 Ų154144.6 Ų144.672%0.7277%0.766SS**  trans15.2150.4147.4-73.2148.946.500121.1
115D38.5Very low40Very low153 Ų153138.7 Ų138.782%0.81876%0.756SS**  cis-164.3179.78-142-60.8000110.2
116G39.2Very low40.4Very low58 Ų58140.8 Ų140.860%0.59876%0.761SS**  trans101.384144.900000121.6
117D39.8Very low40.6Very low168 Ų168139.9 Ų139.990%0.89876%0.759SS**  trans65158.2131-111.2-82000126.2
118Q44.6Very low40.8Very low169 Ų169139.1 Ų139.179%0.7975%0.751SS**  trans-103.3-168.1-169.1-104.2-172.19.500112.1
119P54.8Low41Very low91 Ų91142.6 Ų142.659%0.59175%0.752SS**  cis-132.7-166.2-45.537.8-20.1000112.7
120D39.8Very low41.4Very low143 Ų143137.3 Ų137.377%0.76574%0.738SS**  trans57.7115.4152.1-77.8-63.1000122
121S42.9Very low41.9Very low100 Ų100137.6 Ų137.670%0.69975%0.746SS**  162.9129.8111.2-79.70000116.7
122K45.1Very low42.2Very low184 Ų184131.6 Ų131.680%0.874%0.743SS**  trans51.1119.9135.1-65.4170.7179.3161.20122.2
123K39.1Very low42.9Very low183 Ų183129.2 Ų129.280%0.79675%0.745SS**  82.4152.4124.3-86.2178.2169.1-79.40121.5
124L43.1Very low42.7Very low146 Ų146132.9 Ų132.976%0.76476%0.759SS**  trans70.1116.1172.1-85.364.4000114
125A38.4Very low42.7Very low85 Ų85134 Ų13470%0.70277%0.769SS**  64.6136.557.400000111.7
126S43Very low42.9Very low110 Ų110129.4 Ų129.477%0.76976%0.758SS**  cis170.3117.2-4.544.60000105.6
127Q42.5Very low43.1Very low199 Ų199132.2 Ų132.293%0.9377%0.765SS**  trans-172.4143.1168.5-151.1167.83.900107.3
128G41.3Very low43.2Very low52 Ų52132 Ų13254%0.53676%0.763SS.*  cis178.6151.4-10.100000108.9
129D42.5Very low43.4Very low149 Ų149131.5 Ų131.580%0.79776%0.76SS**  trans60.9143.4131.9-61.5-65.2000120.9
130S46.2Very low43.3Very low98 Ų98132.7 Ų132.769%0.68577%0.768SS**  cis-167.7-172.53.5-122.60000110.9
131I45.1Very low43.7Very low172 Ų172131 Ų13188%0.88276%0.764SS**  trans87.3116.1174.4-51162.2000114.8
132G40.2Very low43.7Very low66 Ų66131.5 Ų131.568%0.6877%0.765SS**  cis126.285.1-11.500000115.4
133S46.7Very low44.1Very low117 Ų117134.1 Ų134.182%0.81877%0.77SS**  trans-169130.2154-87.30000113.7
134Q44Very low45.3Very low194 Ų194130.7 Ų130.791%0.90777%0.765SS**  trans62.891.3162-57.8-172.67.600118.5
135L39.7Very low46.8Very low177 Ų177127.6 Ų127.693%0.92776%0.756SS**  trans-113.3128165.8-76.3166.8000110.6
136G42.7Very low49.1Very low56 Ų56128 Ų12858%0.57774%0.744SS**  trans-97.9144.2149.700000108.8I138G136-I138 PolarHBondContact O-N 2.79Å
137P43.2Very low51.3Low117 Ų117126.9 Ų126.976%0.7673%0.732SS**  trans-74.397.1-177.830.1-33.4000110.3H139P137-H139 PolarHBondContact O-CD2 2.65Å; P137-H139 PolarHBondContact O-N 3.45Å
138I43.3Very low53.6Low165 Ų165119.8 Ų119.885%0.84670%0.699SS**  trans-73.9106.1161.9-62.1-179.5000106.6G136G136-I138 PolarHBondContact O-N 2.79Å
139H47.3Very low55.9Low157 Ų157123.3 Ų123.373%0.72770%0.702SS**PPolyproline II helixtrans-55.3127.3176.3-69.6-131000109.2P137P137-H139 PolarHBondContact O-CD2 2.65Å; P137-H139 PolarHBondContact O-N 3.45Å
140P53.2Low58.2Low117 Ų117118.4 Ų118.476%0.7667%0.672SS**PPolyproline II helixtrans-61.6131.8159.827.8-31.4000107.1
141P47.9Very low60.2Low106 Ų106121 Ų12169%0.68867%0.667SS**PPolyproline II helixtrans-57.9146.6174.725.8-33.7000108.8R143P141-R143 PolarHBondContact O-N 2.99Å
142P43.6Very low62.3Low111 Ų111112.9 Ų112.972%0.72163%0.626SS**PPolyproline II helixtrans-55.6121.3177.825-33.4000107.7T144P142-T144 PolarHBondContact O-N 2.85Å
143R53.6Low64.5Low240 Ų240110.7 Ų110.791%0.90660%0.599SS**  trans-58.2110.5174.4-68.4-175.7-179.9-169.7-0.2106.2P141 S145P141-R143 PolarHBondContact O-N 2.99Å; R143-S145 PolarHBondContact O-N 3.08Å
144T63.1Low66.4Low110 Ų110108.3 Ų108.368%0.67558%0.578SS**  trans-75.166.4-172.941.90000110.5P142 M146P142-T144 PolarHBondContact O-N 2.85Å; T144-M146 PolarHBondContact O-N 2.76Å; T144-M146 VanDerWaalsContact O-N 3.08Å
145S75.9Confident68.3Low82 Ų82102.3 Ų102.357%0.57357%0.567SS**  trans-65.7104.2165.4540000108.3R143 G197R143-S145 PolarHBondContact O-N 3.08Å; S145-G197 CarbonylContact C-O 3.59Å; S145-G197 VanDerWaalsContact CA-O 3.32Å; S145-G197 WeakPolarHBondContact CA-O 3.49Å
146M86Confident70.4Confident93 Ų9395.2 Ų95.246%0.45853%0.53SS..EExtended strand (participates in β ladder)trans-84.3139173.5-167.6168.2-179.600108.2T144 E148 T196 G197T144-M146 PolarHBondContact O-N 2.76Å; T144-M146 VanDerWaalsContact O-N 3.08Å; M146-E148 HydrophobicContact CE-CG 3.77Å; M146-E148 HydrophobicContact CG-CG 4.04Å; M146-E148 HydrophobicContact SD-CG 4.24Å; M146-T196 WeakPolarHBondContact O-CA 3.36Å; M146-G197 PolarHBondContact N-O 2.96Å; M146-G197 PolarHBondContact O-N 2.89Å
147T89.6Confident72.6Confident86 Ų8692.9 Ų92.953%0.52850%0.504SS..EExtended strand (participates in β ladder)trans-110.8120.9166.1-61.20000107.8L195 T196T147-L195 CarbonylContact C-O 3.57Å; T147-L195 VanDerWaalsContact CA-O 3.28Å; T147-L195 WeakPolarHBondContact CA-O 3.46Å; T147-T196 WeakPolarHBondContact CG2-OG1 3.32Å; T147-T196 WeakPolarHBondContact OG1-CG2 3.4Å; T147-T196 PolarHBondContact OG1-OG1 3.31Å
148E91.3Very high74.7Confident50 Ų5089.9 Ų89.923%0.23450%0.495CS..EExtended strand (participates in β ladder)trans-115.6140.7173-65.9-168.392.100110.3M146 L195 V202 K206M146-E148 HydrophobicContact CE-CG 3.77Å; M146-E148 HydrophobicContact CG-CG 4.04Å; M146-E148 HydrophobicContact SD-CG 4.24Å; E148-L195 PolarHBondContact N-O 2.91Å; E148-L195 PolarHBondContact O-N 3.04Å; E148-V202 HydrophobicContact CB-CG1 4.04Å; E148-V202 HydrophobicContact CG-CG1 4.11Å; E148-V202 WeakPolarHBondContact OE2-CG1 3.2Å; E148-K206 IonicContact OE1-NZ 3.23Å; E148-K206 PolarHBondContact OE1-NZ 3.22Å; E148-K206 VanDerWaalsContact OE2-CE 3.29Å; E148-K206 WeakPolarHBondContact OE2-CE 3.48Å; E148-K206 IonicContact OE2-NZ 3.64Å; E148-K206 PolarHBondContact OE2-NZ 3.14Å
149E89.4Confident76.9Confident127 Ų12785.8 Ų85.859%0.59347%0.474SS*.EExtended strand (participates in β ladder)trans-89.5122.5170.6-169.6179.7-172.300109S192E149-S192 WeakPolarHBondContact OE1-CB 3.36Å; E149-S192 PolarHBondContact OE1-OG 3.33Å
150Y89.5Confident79Confident45 Ų4578.3 Ų78.318%0.17644%0.439CS..EExtended strand (participates in β ladder)trans-116.1144176.3-175.7-103.5000109.3V152 V193 L195 K206 L209 D210Y150-V152 HydrophobicContact CD1-CG1 3.7Å; Y150-V152 HydrophobicContact CE1-CG1 3.61Å; Y150-V193 PolarHBondContact N-O 2.82Å; Y150-V193 WeakPolarHBondContact O-CA 3.46Å; Y150-V193 PolarHBondContact O-N 2.76Å; Y150-L195 HydrophobicContact CG-CD1 4.43Å; Y150-K206 HydrophobicContact CD2-CD 4.46Å; Y150-K206 HydrophobicContact CD2-CG 4.01Å; Y150-K206 HydrophobicContact CE2-CG 4.4Å; Y150-K206 HydrophobicContact CG-CG 4.4Å; Y150-L209 HydrophobicContact CD1-CB 4.24Å; Y150-L209 HydrophobicContact CD1-CD1 3.72Å; Y150-L209 HydrophobicContact CE1-CB 3.73Å; Y150-L209 HydrophobicContact CE1-CD1 4.1Å; Y150-D210 PolarHBondContact OH-OD1 3.37Å
151R88.7Confident80.7Confident154 Ų15475.6 Ų75.658%0.58142%0.418SS*.EExtended strand (participates in β ladder)trans-110.8127.9-174.7-66.9-170.1-172.6173.51.4110.5E190R151-E190 HydrophobicContact CB-CB 4.21Å; R151-E190 WeakPolarHBondContact CD-OE2 3.39Å; R151-E190 IonicContact NH1-OE2 3.41Å
152V89.3Confident82.6Confident1 Ų171.7 Ų71.71%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-120.8143.9178.5-58.50000110Y150 D154 V157 I160 E190 R191 V193 V213Y150-V152 HydrophobicContact CD1-CG1 3.7Å; Y150-V152 HydrophobicContact CE1-CG1 3.61Å; V152-D154 PolarHBondContact O-N 3.18Å; V152-V157 HydrophobicContact CG2-CG2 3.72Å; V152-I160 HydrophobicContact CB-CD1 3.7Å; V152-I160 HydrophobicContact CG1-CD1 3.72Å; V152-I160 HydrophobicContact CG2-CD1 3.75Å; V152-E190 CarbonylContact O-C 3.54Å; V152-E190 WeakPolarHBondContact O-CA 3.28Å; V152-R191 HydrophobicContact CG2-CB 4.38Å; V152-R191 PolarHBondContact N-O 2.97Å; V152-R191 PolarHBondContact O-N 2.89Å; V152-V193 HydrophobicContact CB-CG2 4.41Å; V152-V193 HydrophobicContact CG1-CG2 3.94Å; V152-V193 HydrophobicContact CG2-CG2 3.63Å; V152-V213 HydrophobicContact CB-CG2 4.17Å; V152-V213 HydrophobicContact CG1-CG2 4.17Å
153P87.5Confident84.7Confident19 Ų1976.9 Ų76.912%0.12340%0.402CS..EExtended strand (participates in β ladder)trans-62.3135.5176.5-17.930.4000110.3G155 M156 P189 V213P153-G155 VanDerWaalsContact C-N 3.29Å; P153-G155 PolarHBondContact O-N 3.15Å; P153-M156 HydrophobicContact CB-CG 4.08Å; P153-M156 HydrophobicContact CG-CG 4.22Å; P153-M156 WeakPolarHBondContact O-CB 3.23Å; P153-M156 PolarHBondContact O-N 3.2Å; P153-P189 WeakPolarHBondContact CA-O 3.26Å; P153-V213 HydrophobicContact CG-CG1 3.87Å
154D85.1Confident86.2Confident68 Ų6869.7 Ų69.736%0.36440%0.402SS..G310 helixtrans-56.5-41.5-171.7-174.169.3000112.9V152 M156 V157 S185 P189 R191V152-D154 PolarHBondContact O-N 3.18Å; D154-M156 PolarHBondContact O-N 3.3Å; D154-V157 VanDerWaalsContact O-CB 3.25Å; D154-V157 WeakPolarHBondContact O-CB 3.34Å; D154-V157 VanDerWaalsContact O-CG2 3.23Å; D154-V157 WeakPolarHBondContact O-CG2 3.34Å; D154-V157 PolarHBondContact O-N 3.25Å; D154-S185 PolarHBondContact OD1-OG 3.18Å; D154-P189 PolarHBondContact N-O 2.95Å; D154-R191 IonicContact OD1-NH1 2.7Å; D154-R191 PolarHBondContact OD1-NH1 3.25Å
155G84.4Confident87.4Confident67 Ų6765.1 Ų65.169%0.69138%0.377SS*.G310 helixtrans-61.7-15.6175.700000115.6P153P153-G155 VanDerWaalsContact C-N 3.29Å; P153-G155 PolarHBondContact O-N 3.15Å
156M84.8Confident88.2Confident29 Ų2968.1 Ų68.114%0.14338%0.382CS..G310 helixtrans-94.6-11177.2-55.5-53.7155.400113P153 D154 G158 L159 I160 V213 G216 R217P153-M156 HydrophobicContact CB-CG 4.08Å; P153-M156 HydrophobicContact CG-CG 4.22Å; P153-M156 WeakPolarHBondContact O-CB 3.23Å; P153-M156 PolarHBondContact O-N 3.2Å; D154-M156 PolarHBondContact O-N 3.3Å; M156-G158 VanDerWaalsContact C-N 3.27Å; M156-G158 PolarHBondContact O-N 3.11Å; M156-L159 WeakPolarHBondContact O-CB 3.29Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; M156-I160 WeakPolarHBondContact O-CG1 3.09Å; M156-I160 PolarHBondContact O-N 3.43Å; M156-V213 HydrophobicContact CB-CG2 4.12Å; M156-V213 HydrophobicContact CG-CG1 4.37Å; M156-G216 VanDerWaalsContact CE-C 3.46Å; M156-G216 VanDerWaalsContact CE-O 3.23Å; M156-G216 WeakPolarHBondContact CE-O 3.45Å; M156-G216 VanDerWaalsContact SD-CA 3.59Å; M156-R217 HydrophobicContact CE-CB 4.35Å; M156-R217 HydrophobicContact CE-CG 4.08Å
157V88.7Confident88.5Confident6 Ų665.3 Ų65.34%0.03637%0.368CS..Hα-helixtrans-60.6-37.9-177.4174.70000111.4V152 D154 L159 I160 I161 I181 R191V152-V157 HydrophobicContact CG2-CG2 3.72Å; D154-V157 VanDerWaalsContact O-CB 3.25Å; D154-V157 WeakPolarHBondContact O-CB 3.34Å; D154-V157 VanDerWaalsContact O-CG2 3.23Å; D154-V157 WeakPolarHBondContact O-CG2 3.34Å; D154-V157 PolarHBondContact O-N 3.25Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 3.13Å; V157-I160 PolarHBondContact O-N 3.1Å; V157-I161 HydrophobicContact CG1-CD1 3.72Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 3.25Å; V157-I181 HydrophobicContact CG1-CD1 4.24Å; V157-I181 HydrophobicContact CG1-CG2 4.04Å; V157-R191 HydrophobicContact CG2-CB 3.98Å; V157-R191 VanDerWaalsContact CG2-CD 3.4Å; V157-R191 HydrophobicContact CG2-CG 4.33Å
158G86.8Confident88.7Confident54 Ų5462.3 Ų62.356%0.55735%0.348SS*.Hα-helixtrans-61.5-3617500000113.5M156 G162M156-G158 VanDerWaalsContact C-N 3.27Å; M156-G158 PolarHBondContact O-N 3.11Å; G158-G162 PolarHBondContact O-N 3.28Å
159L89.3Confident88.8Confident79 Ų7964.4 Ų64.441%0.41436%0.361SS..Hα-helixtrans-73.1-35.5175.5-62.7175.3000111.8M156 V157 I212M156-L159 WeakPolarHBondContact O-CB 3.29Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD1 4.04Å; V157-L159 VanDerWaalsContact C-N 3.31Å; V157-L159 PolarHBondContact O-N 3.13Å; L159-I212 HydrophobicContact CB-CG2 3.87Å
160I90.4Very high89Confident0 Ų062.6 Ų62.60%035%0.351CS..Hα-helixtrans-68-41.7176.7-67.2161.7000111.4V152 M156 V157 I168 I171 I181 L209 I212 V213V152-I160 HydrophobicContact CB-CD1 3.7Å; V152-I160 HydrophobicContact CG1-CD1 3.72Å; V152-I160 HydrophobicContact CG2-CD1 3.75Å; M156-I160 WeakPolarHBondContact O-CG1 3.09Å; M156-I160 PolarHBondContact O-N 3.43Å; V157-I160 PolarHBondContact O-N 3.1Å; I160-I168 PolarHBondContact O-N 2.8Å; I160-I171 HydrophobicContact CG2-CD1 4.2Å; I160-I181 HydrophobicContact CG2-CD1 3.86Å; I160-L209 HydrophobicContact CB-CD2 4.31Å; I160-L209 HydrophobicContact CD1-CD2 4.11Å; I160-L209 HydrophobicContact CG1-CD2 4.03Å; I160-L209 HydrophobicContact CG2-CD2 3.32Å; I160-I212 HydrophobicContact CG1-CB 4.34Å; I160-I212 HydrophobicContact CG1-CG2 3.74Å; I160-V213 HydrophobicContact CD1-CG2 3.96Å
161I90.3Very high89.1Confident61 Ų6160.5 Ų60.531%0.31334%0.343SS..Hα-helixtrans-70.6-44.3177-64.7171.2000110.3V157 G165 Q167 I168 I181V157-I161 HydrophobicContact CG1-CD1 3.72Å; V157-I161 HydrophobicContact CG1-CG1 4.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.46Å; V157-I161 PolarHBondContact O-N 3.25Å; I161-G165 CarbonylContact O-C 3.59Å; I161-G165 VanDerWaalsContact O-C 3.26Å; I161-G165 VanDerWaalsContact O-CA 3.24Å; I161-G165 WeakPolarHBondContact O-CA 3.36Å; I161-Q167 PolarHBondContact O-N 3.4Å; I161-I168 HydrophobicContact CG2-CG2 4.22Å; I161-I168 PolarHBondContact O-N 2.88Å; I161-I168 VanDerWaalsContact O-N 3.15Å; I161-I181 HydrophobicContact CD1-CD1 4.2Å; I161-I181 HydrophobicContact CG1-CD1 3.7Å
162G87.2Confident89.3Confident23 Ų2355.6 Ų55.624%0.23733%0.327CS..  trans73.6170.8-174.400000113G158 G164 G165G158-G162 PolarHBondContact O-N 3.28Å; G162-G164 PolarHBondContact O-N 3.2Å; G162-G165 PolarHBondContact O-N 3.26Å
163R87.1Confident89.5Confident220 Ų22063.3 Ų63.383%0.8336%0.363SS*.G310 helixtrans-63.9127176.8-76.2-179.6-85.6179-4.9109.2G165 E166R163-G165 PolarHBondContact O-N 3.18Å; R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 3Å
164G87Confident89.8Confident89 Ų8965.4 Ų65.492%0.91837%0.373SS*.G310 helixtrans66.610.9-178.700000116G162 E166G162-G164 PolarHBondContact O-N 3.2Å; G164-E166 VanDerWaalsContact C-N 3.28Å
165G88.2Confident90.1Very high14 Ų1462.5 Ų62.514%0.14436%0.358CS..G310 helixtrans77.99.9-173.900000114.4I161 G162 R163 Q167 I168 N169I161-G165 CarbonylContact O-C 3.59Å; I161-G165 VanDerWaalsContact O-C 3.26Å; I161-G165 VanDerWaalsContact O-CA 3.24Å; I161-G165 WeakPolarHBondContact O-CA 3.36Å; G162-G165 PolarHBondContact O-N 3.26Å; R163-G165 PolarHBondContact O-N 3.18Å; G165-Q167 VanDerWaalsContact C-N 3.34Å; G165-Q167 PolarHBondContact O-N 3.39Å; G165-I168 VanDerWaalsContact O-CG2 3.24Å; G165-I168 WeakPolarHBondContact O-CG2 3.39Å; G165-I168 PolarHBondContact O-N 2.87Å; G165-N169 WeakPolarHBondContact O-CB 3.32Å; G165-N169 PolarHBondContact O-N 3.16Å; G165-N169 PolarHBondContact O-ND2 3.46Å; G165-N169 VanDerWaalsContact O-ND2 3.16Å
166E91.3Very high90.5Very high146 Ų14661.9 Ų61.968%0.68235%0.352SS*.Hα-helixtrans-57.8-44.1-178.7-174.9174.2-167.800112.2R163 G164 N169 K170R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 3Å; G164-E166 VanDerWaalsContact C-N 3.28Å; E166-N169 PolarHBondContact O-N 2.82Å; E166-K170 WeakPolarHBondContact O-CB 3.4Å; E166-K170 PolarHBondContact O-N 3.45Å
167Q92.8Very high90.8Very high34 Ų3460.6 Ų60.616%0.15935%0.346CS..Hα-helixtrans-70.2-43.7-176.6-168.671.1-13.300112I161 G165 N169 K170 I171 I212I161-Q167 PolarHBondContact O-N 3.4Å; G165-Q167 VanDerWaalsContact C-N 3.34Å; G165-Q167 PolarHBondContact O-N 3.39Å; Q167-N169 VanDerWaalsContact C-N 3.33Å; Q167-N169 PolarHBondContact O-N 3.05Å; Q167-K170 WeakPolarHBondContact O-CB 3.45Å; Q167-K170 PolarHBondContact O-N 3.5Å; Q167-I171 HydrophobicContact CG-CD1 4.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.26Å; Q167-I171 WeakPolarHBondContact O-CG1 3.24Å; Q167-I171 PolarHBondContact O-N 3.23Å; Q167-I212 HydrophobicContact CG-CD1 3.95Å
168I92.8Very high91Very high22 Ų2265.4 Ų65.411%0.11337%0.366CS..Hα-helixtrans-67.1-33.7175.5-173172.4000112.2I160 I161 G165 Q172 V179 I181I160-I168 PolarHBondContact O-N 2.8Å; I161-I168 HydrophobicContact CG2-CG2 4.22Å; I161-I168 PolarHBondContact O-N 2.88Å; I161-I168 VanDerWaalsContact O-N 3.15Å; G165-I168 VanDerWaalsContact O-CG2 3.24Å; G165-I168 WeakPolarHBondContact O-CG2 3.39Å; G165-I168 PolarHBondContact O-N 2.87Å; I168-Q172 WeakPolarHBondContact O-CB 3.26Å; I168-Q172 VanDerWaalsContact O-CG 3.27Å; I168-Q172 WeakPolarHBondContact O-CG 3.17Å; I168-Q172 PolarHBondContact O-N 2.94Å; I168-Q172 PolarHBondContact O-NE2 3.4Å; I168-V179 HydrophobicContact CD1-CB 4.38Å; I168-V179 HydrophobicContact CD1-CG1 4.03Å; I168-V179 HydrophobicContact CG1-CB 4.2Å; I168-V179 HydrophobicContact CG1-CG1 4.12Å; I168-I181 HydrophobicContact CD1-CD1 3.86Å; I168-I181 HydrophobicContact CD1-CG1 3.96Å
169N93.9Very high91.3Very high94 Ų9463.1 Ų63.150%0.50334%0.341SS..Hα-helixtrans-66-42.1172.2-73-26000111.3G165 E166 Q167 Q172 Q173G165-N169 WeakPolarHBondContact O-CB 3.32Å; G165-N169 PolarHBondContact O-N 3.16Å; G165-N169 PolarHBondContact O-ND2 3.46Å; G165-N169 VanDerWaalsContact O-ND2 3.16Å; E166-N169 PolarHBondContact O-N 2.82Å; Q167-N169 VanDerWaalsContact C-N 3.33Å; Q167-N169 PolarHBondContact O-N 3.05Å; N169-Q172 PolarHBondContact O-N 3.03Å; N169-Q173 WeakPolarHBondContact O-CB 3.29Å; N169-Q173 PolarHBondContact O-N 3.28Å
170K93.1Very high91.4Very high89 Ų8964 Ų6439%0.38734%0.343SS..Hα-helixtrans-62-44.7174.5-172.5-179.4-173.9-58.80112.2E166 Q167 Q172 Q173 D174E166-K170 WeakPolarHBondContact O-CB 3.4Å; E166-K170 PolarHBondContact O-N 3.45Å; Q167-K170 WeakPolarHBondContact O-CB 3.45Å; Q167-K170 PolarHBondContact O-N 3.5Å; K170-Q172 VanDerWaalsContact C-N 3.33Å; K170-Q172 PolarHBondContact O-N 3.43Å; K170-Q173 PolarHBondContact O-N 3.28Å; K170-D174 IonicContact NZ-OD2 2.76Å; K170-D174 PolarHBondContact NZ-OD2 3.47Å; K170-D174 VanDerWaalsContact O-CB 3.31Å; K170-D174 WeakPolarHBondContact O-CB 3.35Å; K170-D174 PolarHBondContact O-N 3.03Å
171I92.9Very high91.4Very high1 Ų165.6 Ų65.61%0.00535%0.351CS..Hα-helixtrans-59.2-45174.7-62.9161.7000110.3I160 Q167 S175 V179 A205 M208 L209 I212I160-I171 HydrophobicContact CG2-CD1 4.2Å; Q167-I171 HydrophobicContact CG-CD1 4.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.26Å; Q167-I171 WeakPolarHBondContact O-CG1 3.24Å; Q167-I171 PolarHBondContact O-N 3.23Å; I171-S175 WeakPolarHBondContact O-CB 3.24Å; I171-S175 PolarHBondContact O-N 2.92Å; I171-S175 PolarHBondContact O-OG 3.28Å; I171-V179 HydrophobicContact CG2-CG2 4.03Å; I171-A205 HydrophobicContact CG2-CB 4.49Å; I171-M208 HydrophobicContact CB-CE 4.43Å; I171-M208 HydrophobicContact CG1-CB 4.4Å; I171-M208 HydrophobicContact CG1-CE 4.13Å; I171-M208 HydrophobicContact CG2-CB 4.18Å; I171-M208 HydrophobicContact CG2-SD 4.35Å; I171-L209 HydrophobicContact CD1-CD2 4.12Å; I171-I212 HydrophobicContact CD1-CD1 3.52Å; I171-I212 HydrophobicContact CG1-CD1 4.17Å
172Q92.8Very high91.3Very high51 Ų5164.1 Ų64.124%0.23835%0.347CS..Hα-helixtrans-63.4-43.1178.3-73.6178.8100.800112.5I168 N169 K170 G176 C177 V179I168-Q172 WeakPolarHBondContact O-CB 3.26Å; I168-Q172 VanDerWaalsContact O-CG 3.27Å; I168-Q172 WeakPolarHBondContact O-CG 3.17Å; I168-Q172 PolarHBondContact O-N 2.94Å; I168-Q172 PolarHBondContact O-NE2 3.4Å; N169-Q172 PolarHBondContact O-N 3.03Å; K170-Q172 VanDerWaalsContact C-N 3.33Å; K170-Q172 PolarHBondContact O-N 3.43Å; Q172-G176 WeakPolarHBondContact O-CA 3.49Å; Q172-G176 PolarHBondContact O-N 3.46Å; Q172-C177 VanDerWaalsContact CA-O 3.29Å; Q172-C177 WeakPolarHBondContact CA-O 3.49Å; Q172-C177 WeakPolarHBondContact CB-O 3.35Å; Q172-C177 WeakPolarHBondContact CG-O 3.42Å; Q172-V179 HydrophobicContact CG-CB 3.69Å; Q172-V179 HydrophobicContact CG-CG2 3.64Å
173Q93.7Very high91Very high163 Ų16368.2 Ų68.276%0.76237%0.369SS*.Hα-helixtrans-66.5-48.3178.4-174.5175.11300112.2N169 K170N169-Q173 WeakPolarHBondContact O-CB 3.29Å; N169-Q173 PolarHBondContact O-N 3.28Å; K170-Q173 PolarHBondContact O-N 3.28Å
174D93.3Very high90.4Very high63 Ų6363.8 Ų63.834%0.33736%0.362SS..Hα-helixtrans-69.7-38.6-177.4-74-18.8000112K170 K204 M208K170-D174 IonicContact NZ-OD2 2.76Å; K170-D174 PolarHBondContact NZ-OD2 3.47Å; K170-D174 VanDerWaalsContact O-CB 3.31Å; K170-D174 WeakPolarHBondContact O-CB 3.35Å; K170-D174 PolarHBondContact O-N 3.03Å; D174-K204 WeakPolarHBondContact O-CE 3.42Å; D174-K204 PolarHBondContact O-NZ 3.38Å; D174-M208 HydrophobicContact CB-CE 3.76Å; D174-M208 HydrophobicContact CB-SD 3.88Å; D174-M208 WeakPolarHBondContact OD2-CE 3.5Å
175S92.3Very high89.5Confident7 Ų760.7 Ų60.75%0.04933%0.326CS..Hα-helixtrans-81-27-179.765.70000113.7I171 C177 S201I171-S175 WeakPolarHBondContact O-CB 3.24Å; I171-S175 PolarHBondContact O-N 2.92Å; I171-S175 PolarHBondContact O-OG 3.28Å; S175-C177 PolarHBondContact O-N 2.88Å; S175-C177 VanDerWaalsContact OG-CB 3.26Å; S175-C177 WeakPolarHBondContact OG-CB 3.5Å; S175-C177 PolarHBondContact OG-N 3.34Å; S175-S201 VanDerWaalsContact O-CA 3.3Å; S175-S201 WeakPolarHBondContact O-CA 3.27Å; S175-S201 WeakPolarHBondContact O-CB 3.4Å; S175-S201 PolarHBondContact O-OG 3.45Å
176G91.2Very high88.6Confident54 Ų5463.5 Ų63.556%0.55736%0.355SS*.  trans67.812.8-16500000113.3Q172Q172-G176 WeakPolarHBondContact O-CA 3.49Å; Q172-G176 PolarHBondContact O-N 3.46Å
177C91.4Very high87.6Confident3 Ų360.5 Ų60.52%0.0236%0.364CS..  trans-100.3140.9176.9-170.70000109.9Q172 S175 T196 A205Q172-C177 VanDerWaalsContact CA-O 3.29Å; Q172-C177 WeakPolarHBondContact CA-O 3.49Å; Q172-C177 WeakPolarHBondContact CB-O 3.35Å; Q172-C177 WeakPolarHBondContact CG-O 3.42Å; S175-C177 PolarHBondContact O-N 2.88Å; S175-C177 VanDerWaalsContact OG-CB 3.26Å; S175-C177 WeakPolarHBondContact OG-CB 3.5Å; S175-C177 PolarHBondContact OG-N 3.34Å; C177-T196 VanDerWaalsContact SG-C 3.57Å; C177-T196 PolarHBondContact SG-N 2.87Å; C177-T196 PolarHBondContact SG-O 3.25Å; C177-T196 VanDerWaalsContact SG-O 3.41Å; C177-A205 HydrophobicContact CB-CB 3.77Å
178K93.6Very high86.7Confident107 Ų10764.3 Ų64.347%0.46538%0.384SS..EExtended strand (participates in β ladder)trans-80.8122168.5-173.5-173.6-178.9-161.80108.9Q180 T196K178-Q180 HydrophobicContact CD-CG 4.47Å; K178-Q180 HydrophobicContact CG-CG 4.32Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.14Å; K178-T196 PolarHBondContact N-O 3.24Å; K178-T196 PolarHBondContact O-N 2.83Å
179V93.5Very high86.1Confident5 Ų568.3 Ų68.33%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-109.1117.8-177.5-176.50000108.4I168 I171 Q172 V193 L195I168-V179 HydrophobicContact CD1-CB 4.38Å; I168-V179 HydrophobicContact CD1-CG1 4.03Å; I168-V179 HydrophobicContact CG1-CB 4.2Å; I168-V179 HydrophobicContact CG1-CG1 4.12Å; I171-V179 HydrophobicContact CG2-CG2 4.03Å; Q172-V179 HydrophobicContact CG-CB 3.69Å; Q172-V179 HydrophobicContact CG-CG2 3.64Å; V179-V193 HydrophobicContact CG1-CG1 3.56Å; V179-L195 HydrophobicContact CB-CD2 4.21Å; V179-L195 HydrophobicContact CG1-CD2 3.96Å; V179-L195 HydrophobicContact CG2-CD2 3.72Å
180Q91.8Very high85.7Confident98 Ų9867.5 Ų67.546%0.45841%0.405SS..EExtended strand (participates in β ladder)trans-122.2118.3176.1-60.3-167.3-92.600109.9K178 V193 S194K178-Q180 HydrophobicContact CD-CG 4.47Å; K178-Q180 HydrophobicContact CG-CG 4.32Å; K178-Q180 VanDerWaalsContact NZ-OE1 3.14Å; Q180-V193 CarbonylContact O-C 3.49Å; Q180-V193 WeakPolarHBondContact O-CA 3.44Å; Q180-S194 PolarHBondContact N-O 2.9Å; Q180-S194 PolarHBondContact O-N 2.83Å
181I90.4Very high85.4Confident33 Ų3365.6 Ų65.617%0.16940%0.395CS..EExtended strand (participates in β ladder)trans-94.1131.4177-53.1-178000108.2V157 I160 I161 I168 R191 V193V157-I181 HydrophobicContact CG1-CD1 4.24Å; V157-I181 HydrophobicContact CG1-CG2 4.04Å; I160-I181 HydrophobicContact CG2-CD1 3.86Å; I161-I181 HydrophobicContact CD1-CD1 4.2Å; I161-I181 HydrophobicContact CG1-CD1 3.7Å; I168-I181 HydrophobicContact CD1-CD1 3.86Å; I168-I181 HydrophobicContact CD1-CG1 3.96Å; I181-R191 HydrophobicContact CG2-CG 4.06Å; I181-V193 HydrophobicContact CG1-CG1 4.11Å; I181-V193 HydrophobicContact CG1-CG2 4.06Å; I181-V193 HydrophobicContact CG2-CG2 4.33Å
182S86.9Confident85.2Confident31 Ų3166.9 Ų66.922%0.21741%0.405CS..  trans-56.2141.4176.5-66.40000111.3D184 R191 S192S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; S182-R191 VanDerWaalsContact O-CZ 3.25Å; S182-R191 PolarHBondContact O-NE 3.41Å; S182-R191 PolarHBondContact O-NH2 3.2Å; S182-S192 PolarHBondContact N-O 2.99Å; S182-S192 PolarHBondContact OG-O 3.04Å; S182-S192 PolarHBondContact OG-OG 2.69Å
183P80.8Confident85.2Confident109 Ų10964.5 Ų64.571%0.70839%0.393SS*.SBendtrans-68.5-27.7-177.927.5-34.7000113R191P183-R191 PolarHBondContact O-NH2 3.38Å
184D75.8Confident85.2Confident127 Ų12758.6 Ų58.668%0.67937%0.37SS*.  trans-127.5143.8178.8-62.2-62.9000110.5S182 G186S182-D184 VanDerWaalsContact C-N 3.28Å; S182-D184 PolarHBondContact O-N 3.47Å; D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.36Å
185S68.1Low85.2Confident23 Ų2355.6 Ų55.616%0.16135%0.354CS..  trans-87.45178.1-49.10000112.5D154 G187 L188 R191D154-S185 PolarHBondContact OD1-OG 3.18Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-L188 WeakPolarHBondContact O-CB 3.29Å; S185-L188 PolarHBondContact O-N 3.45Å; S185-R191 WeakPolarHBondContact OG-CD 3.46Å; S185-R191 VanDerWaalsContact OG-CG 3.29Å; S185-R191 WeakPolarHBondContact OG-CG 3.5Å
186G68.6Low85.2Confident74 Ų7457.1 Ų57.176%0.76336%0.363SS*.THydrogen-bonded Turntrans61.815.1175.900000115.6D184 L188D184-G186 VanDerWaalsContact C-N 3.27Å; D184-G186 PolarHBondContact O-N 3.36Å; G186-L188 VanDerWaalsContact C-N 3.29Å
187G69.8Low85.2Confident83 Ų8355 Ų5586%0.85634%0.342SS*.THydrogen-bonded Turntrans79.83.6-170.900000114.7S185S185-G187 PolarHBondContact O-N 2.93Å
188L74.6Confident85.2Confident114 Ų11457.1 Ų57.160%0.59736%0.359SS*.SBendtrans-84150.4174.3-66.4166.3000110.6S185 G186 E190S185-L188 WeakPolarHBondContact O-CB 3.29Å; S185-L188 PolarHBondContact O-N 3.45Å; G186-L188 VanDerWaalsContact C-N 3.29Å; L188-E190 PolarHBondContact O-N 3.45Å
189P80Confident85.1Confident105 Ų10555.3 Ų55.368%0.68236%0.358SS*.SBendtrans-69.3-9.717430.6-36.5000113.1P153 D154P153-P189 WeakPolarHBondContact CA-O 3.26Å; D154-P189 PolarHBondContact N-O 2.95Å
190E85.1Confident85Confident78 Ų7863 Ų6336%0.36439%0.394SS..EExtended strand (participates in β ladder)trans-118.3134.3179.7-65.4178.9166.700109.8R151 V152 L188R151-E190 HydrophobicContact CB-CB 4.21Å; R151-E190 WeakPolarHBondContact CD-OE2 3.39Å; R151-E190 IonicContact NH1-OE2 3.41Å; V152-E190 CarbonylContact O-C 3.54Å; V152-E190 WeakPolarHBondContact O-CA 3.28Å; L188-E190 PolarHBondContact O-N 3.45Å
191R87.1Confident85.1Confident48 Ų4859.5 Ų59.518%0.18138%0.38CS..EExtended strand (participates in β ladder)trans-104.7136.4177.1-166.9176.9-170136.3-6.7109.5V152 D154 V157 I181 S182 P183 S185V152-R191 HydrophobicContact CG2-CB 4.38Å; V152-R191 PolarHBondContact N-O 2.97Å; V152-R191 PolarHBondContact O-N 2.89Å; D154-R191 IonicContact OD1-NH1 2.7Å; D154-R191 PolarHBondContact OD1-NH1 3.25Å; V157-R191 HydrophobicContact CG2-CB 3.98Å; V157-R191 VanDerWaalsContact CG2-CD 3.4Å; V157-R191 HydrophobicContact CG2-CG 4.33Å; I181-R191 HydrophobicContact CG2-CG 4.06Å; S182-R191 VanDerWaalsContact O-CZ 3.25Å; S182-R191 PolarHBondContact O-NE 3.41Å; S182-R191 PolarHBondContact O-NH2 3.2Å; P183-R191 PolarHBondContact O-NH2 3.38Å; S185-R191 WeakPolarHBondContact OG-CD 3.46Å; S185-R191 VanDerWaalsContact OG-CG 3.29Å; S185-R191 WeakPolarHBondContact OG-CG 3.5Å
192S89Confident85.3Confident29 Ų2958 Ų5820%0.20337%0.372CS..EExtended strand (participates in β ladder)trans-80.4139.8179.550.50000112.6E149 S182E149-S192 WeakPolarHBondContact OE1-CB 3.36Å; E149-S192 PolarHBondContact OE1-OG 3.33Å; S182-S192 PolarHBondContact N-O 2.99Å; S182-S192 PolarHBondContact OG-O 3.04Å; S182-S192 PolarHBondContact OG-OG 2.69Å
193V92.1Very high85.5Confident0 Ų061.5 Ų61.50%039%0.385CS..EExtended strand (participates in β ladder)trans-127.9109.8179.1-1750000107.8Y150 V152 V179 Q180 I181 L195 L209Y150-V193 PolarHBondContact N-O 2.82Å; Y150-V193 WeakPolarHBondContact O-CA 3.46Å; Y150-V193 PolarHBondContact O-N 2.76Å; V152-V193 HydrophobicContact CB-CG2 4.41Å; V152-V193 HydrophobicContact CG1-CG2 3.94Å; V152-V193 HydrophobicContact CG2-CG2 3.63Å; V179-V193 HydrophobicContact CG1-CG1 3.56Å; Q180-V193 CarbonylContact O-C 3.49Å; Q180-V193 WeakPolarHBondContact O-CA 3.44Å; I181-V193 HydrophobicContact CG1-CG1 4.11Å; I181-V193 HydrophobicContact CG1-CG2 4.06Å; I181-V193 HydrophobicContact CG2-CG2 4.33Å; V193-L195 HydrophobicContact CG1-CD2 4.07Å; V193-L209 HydrophobicContact CG1-CD1 4.06Å
194S93.1Very high86.1Confident40 Ų4061.3 Ų61.328%0.2837%0.374SS..EExtended strand (participates in β ladder)trans-80.5124.1173.8-550000110.2Q180Q180-S194 PolarHBondContact N-O 2.9Å; Q180-S194 PolarHBondContact O-N 2.83Å
195L94.1Very high87Confident0 Ų055.3 Ų55.30%034%0.341CS..EExtended strand (participates in β ladder)trans-111.5106.6179-62.6179.1000109.2T147 E148 Y150 V179 V193 V202 A205 K206 L209T147-L195 CarbonylContact C-O 3.57Å; T147-L195 VanDerWaalsContact CA-O 3.28Å; T147-L195 WeakPolarHBondContact CA-O 3.46Å; E148-L195 PolarHBondContact N-O 2.91Å; E148-L195 PolarHBondContact O-N 3.04Å; Y150-L195 HydrophobicContact CG-CD1 4.43Å; V179-L195 HydrophobicContact CB-CD2 4.21Å; V179-L195 HydrophobicContact CG1-CD2 3.96Å; V179-L195 HydrophobicContact CG2-CD2 3.72Å; V193-L195 HydrophobicContact CG1-CD2 4.07Å; L195-V202 HydrophobicContact CB-CG1 3.84Å; L195-V202 HydrophobicContact CB-CG2 4.46Å; L195-V202 HydrophobicContact CD1-CG1 4.24Å; L195-A205 HydrophobicContact CD1-CB 4.32Å; L195-A205 HydrophobicContact CD2-CB 3.95Å; L195-K206 HydrophobicContact CD1-CB 4.5Å; L195-K206 HydrophobicContact CD1-CG 3.51Å; L195-L209 HydrophobicContact CD1-CD1 4.16Å; L195-L209 HydrophobicContact CD2-CD1 3.94Å
196T93Very high88.2Confident39 Ų3956.1 Ų56.124%0.23934%0.342CS..EExtended strand (participates in β ladder)trans-110.3117.9-180-56.50000111.2M146 T147 C177 K178M146-T196 WeakPolarHBondContact O-CA 3.36Å; T147-T196 WeakPolarHBondContact CG2-OG1 3.32Å; T147-T196 WeakPolarHBondContact OG1-CG2 3.4Å; T147-T196 PolarHBondContact OG1-OG1 3.31Å; C177-T196 VanDerWaalsContact SG-C 3.57Å; C177-T196 PolarHBondContact SG-N 2.87Å; C177-T196 PolarHBondContact SG-O 3.25Å; C177-T196 VanDerWaalsContact SG-O 3.41Å; K178-T196 PolarHBondContact N-O 3.24Å; K178-T196 PolarHBondContact O-N 2.83Å
197G91.3Very high89.3Confident10 Ų1058.8 Ų58.810%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-177.5-168.8178.300000113.5S145 M146S145-G197 CarbonylContact C-O 3.59Å; S145-G197 VanDerWaalsContact CA-O 3.32Å; S145-G197 WeakPolarHBondContact CA-O 3.49Å; M146-G197 PolarHBondContact N-O 2.96Å; M146-G197 PolarHBondContact O-N 2.89Å
198A91.7Very high90.4Very high47 Ų4756.6 Ų56.639%0.38830%0.304SS..  trans-61.5151.916300000109.6E200 S201 V202A198-E200 PolarHBondContact O-N 2.61Å; A198-S201 WeakPolarHBondContact O-CA 3.38Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 3.08Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 3Å
199P90.8Very high91.3Very high69 Ų6951.1 Ų51.145%0.44828%0.275SS..Hα-helixtrans-56.2-37.3-179.121.2-33.2000112.8V202 Q203P199-V202 PolarHBondContact O-N 3.03Å; P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 2.69Å
200E91.4Very high91.8Very high167 Ų16750.1 Ų50.178%0.7826%0.264SS*.Hα-helixtrans-64-42.7174-62.4176.6177.600112.3A198 Q203 K204A198-E200 PolarHBondContact O-N 2.61Å; E200-Q203 PolarHBondContact O-N 3.39Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 PolarHBondContact O-N 3.49Å
201S93.8Very high92Very high24 Ų2450.2 Ų50.217%0.16827%0.267CS..Hα-helixtrans-64.6-43.2175.8-630000112.3S175 A198 K204 A205S175-S201 VanDerWaalsContact O-CA 3.3Å; S175-S201 WeakPolarHBondContact O-CA 3.27Å; S175-S201 WeakPolarHBondContact O-CB 3.4Å; S175-S201 PolarHBondContact O-OG 3.45Å; A198-S201 WeakPolarHBondContact O-CA 3.38Å; A198-S201 WeakPolarHBondContact O-CB 3.31Å; A198-S201 PolarHBondContact O-N 3.08Å; S201-K204 PolarHBondContact O-N 3.16Å; S201-A205 WeakPolarHBondContact O-CB 3.09Å; S201-A205 PolarHBondContact O-N 2.68Å
202V93.8Very high92.1Very high0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-63.9-44.3177.1174.90000110.3E148 L195 A198 P199 K204 A205 K206E148-V202 HydrophobicContact CB-CG1 4.04Å; E148-V202 HydrophobicContact CG-CG1 4.11Å; E148-V202 WeakPolarHBondContact OE2-CG1 3.2Å; L195-V202 HydrophobicContact CB-CG1 3.84Å; L195-V202 HydrophobicContact CB-CG2 4.46Å; L195-V202 HydrophobicContact CD1-CG1 4.24Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 3Å; P199-V202 PolarHBondContact O-N 3.03Å; V202-K204 PolarHBondContact O-N 2.89Å; V202-A205 PolarHBondContact O-N 2.91Å; V202-K206 WeakPolarHBondContact O-CG 3.4Å; V202-K206 PolarHBondContact O-N 3.06Å
203Q92.4Very high92Very high105 Ų10547.6 Ų47.649%0.49126%0.255SS..Hα-helixtrans-63.1-41176.3-17166.51.600112P199 E200 K206 M207P199-Q203 WeakPolarHBondContact O-CB 3.4Å; P199-Q203 PolarHBondContact O-N 2.69Å; E200-Q203 PolarHBondContact O-N 3.39Å; Q203-K206 WeakPolarHBondContact O-CB 3.3Å; Q203-K206 PolarHBondContact O-N 3.04Å; Q203-M207 WeakPolarHBondContact O-CG 3.33Å; Q203-M207 PolarHBondContact O-N 3.13Å
204K93.6Very high91.7Very high106 Ų10651.1 Ų51.146%0.46128%0.28SS..Hα-helixtrans-63-41.3174.1-173.3169.6176.3-168.80111.9D174 E200 S201 V202 M207 M208D174-K204 WeakPolarHBondContact O-CE 3.42Å; D174-K204 PolarHBondContact O-NZ 3.38Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.16Å; V202-K204 PolarHBondContact O-N 2.89Å; K204-M207 PolarHBondContact O-N 3.46Å; K204-M208 WeakPolarHBondContact O-CG 3.32Å; K204-M208 PolarHBondContact O-N 3.17Å; K204-M208 VanDerWaalsContact O-N 3.08Å
205A94.2Very high91Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-64.2-42.7174.700000112.3I171 C177 L195 S201 V202 M207 M208 L209I171-A205 HydrophobicContact CG2-CB 4.49Å; C177-A205 HydrophobicContact CB-CB 3.77Å; L195-A205 HydrophobicContact CD1-CB 4.32Å; L195-A205 HydrophobicContact CD2-CB 3.95Å; S201-A205 WeakPolarHBondContact O-CB 3.09Å; S201-A205 PolarHBondContact O-N 2.68Å; V202-A205 PolarHBondContact O-N 2.91Å; A205-M207 PolarHBondContact O-N 3.12Å; A205-M208 PolarHBondContact O-N 3.09Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.42Å
206K92.9Very high89.8Confident41 Ų4157.8 Ų57.818%0.17831%0.307CS..Hα-helixtrans-55.6-47.5172.9-76176169.1172.20111.6E148 Y150 L195 V202 Q203 M208 L209 D210E148-K206 IonicContact OE1-NZ 3.23Å; E148-K206 PolarHBondContact OE1-NZ 3.22Å; E148-K206 VanDerWaalsContact OE2-CE 3.29Å; E148-K206 WeakPolarHBondContact OE2-CE 3.48Å; E148-K206 IonicContact OE2-NZ 3.64Å; E148-K206 PolarHBondContact OE2-NZ 3.14Å; Y150-K206 HydrophobicContact CD2-CD 4.46Å; Y150-K206 HydrophobicContact CD2-CG 4.01Å; Y150-K206 HydrophobicContact CE2-CG 4.4Å; Y150-K206 HydrophobicContact CG-CG 4.4Å; L195-K206 HydrophobicContact CD1-CB 4.5Å; L195-K206 HydrophobicContact CD1-CG 3.51Å; V202-K206 WeakPolarHBondContact O-CG 3.4Å; V202-K206 PolarHBondContact O-N 3.06Å; Q203-K206 WeakPolarHBondContact O-CB 3.3Å; Q203-K206 PolarHBondContact O-N 3.04Å; K206-M208 PolarHBondContact O-N 2.79Å; K206-L209 PolarHBondContact O-N 3.34Å; K206-D210 WeakPolarHBondContact O-CB 3.47Å; K206-D210 PolarHBondContact O-N 3.42Å
207M92.3Very high88.4Confident129 Ų12964.2 Ų64.264%0.63533%0.327SS*.Hα-helixtrans-61.4-41.8177.8-69.2175.467.900112.6Q203 K204 A205 D210 D211Q203-M207 WeakPolarHBondContact O-CG 3.33Å; Q203-M207 PolarHBondContact O-N 3.13Å; K204-M207 PolarHBondContact O-N 3.46Å; A205-M207 PolarHBondContact O-N 3.12Å; M207-D210 PolarHBondContact O-N 2.78Å; M207-D211 WeakPolarHBondContact O-CB 3.18Å; M207-D211 PolarHBondContact O-N 2.96Å
208M91.9Very high86.2Confident37 Ų3767.2 Ų67.218%0.18236%0.358CS..Hα-helixtrans-67.7-35.2177.3-67.6-179.876.900112.6I171 D174 K204 A205 K206 I212I171-M208 HydrophobicContact CB-CE 4.43Å; I171-M208 HydrophobicContact CG1-CB 4.4Å; I171-M208 HydrophobicContact CG1-CE 4.13Å; I171-M208 HydrophobicContact CG2-CB 4.18Å; I171-M208 HydrophobicContact CG2-SD 4.35Å; D174-M208 HydrophobicContact CB-CE 3.76Å; D174-M208 HydrophobicContact CB-SD 3.88Å; D174-M208 WeakPolarHBondContact OD2-CE 3.5Å; K204-M208 WeakPolarHBondContact O-CG 3.32Å; K204-M208 PolarHBondContact O-N 3.17Å; K204-M208 VanDerWaalsContact O-N 3.08Å; A205-M208 PolarHBondContact O-N 3.09Å; K206-M208 PolarHBondContact O-N 2.79Å; M208-I212 WeakPolarHBondContact O-CD1 3.49Å; M208-I212 VanDerWaalsContact O-CG1 3.29Å; M208-I212 WeakPolarHBondContact O-CG1 3.35Å; M208-I212 PolarHBondContact O-N 2.91Å
209L92.9Very high83.5Confident0 Ų068.2 Ų68.20%037%0.373CS..Hα-helixtrans-68.3-45.4174.1-71.1172.3000111.6Y150 I160 I171 V193 L195 A205 K206 D211 I212 V213Y150-L209 HydrophobicContact CD1-CB 4.24Å; Y150-L209 HydrophobicContact CD1-CD1 3.72Å; Y150-L209 HydrophobicContact CE1-CB 3.73Å; Y150-L209 HydrophobicContact CE1-CD1 4.1Å; I160-L209 HydrophobicContact CB-CD2 4.31Å; I160-L209 HydrophobicContact CD1-CD2 4.11Å; I160-L209 HydrophobicContact CG1-CD2 4.03Å; I160-L209 HydrophobicContact CG2-CD2 3.32Å; I171-L209 HydrophobicContact CD1-CD2 4.12Å; V193-L209 HydrophobicContact CG1-CD1 4.06Å; L195-L209 HydrophobicContact CD1-CD1 4.16Å; L195-L209 HydrophobicContact CD2-CD1 3.94Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.42Å; K206-L209 PolarHBondContact O-N 3.34Å; L209-D211 VanDerWaalsContact C-N 3.34Å; L209-D211 PolarHBondContact O-N 2.79Å; L209-I212 PolarHBondContact O-N 3.36Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.82Å
210D90.6Very high81.1Confident84 Ų8471 Ų7145%0.44939%0.391SS..Hα-helixtrans-62.6-39.4179.8-163.172.2000112.2Y150 K206 M207 V213 S214Y150-D210 PolarHBondContact OH-OD1 3.37Å; K206-D210 WeakPolarHBondContact O-CB 3.47Å; K206-D210 PolarHBondContact O-N 3.42Å; M207-D210 PolarHBondContact O-N 2.78Å; D210-V213 PolarHBondContact O-N 2.9Å; D210-S214 WeakPolarHBondContact O-CB 3.5Å; D210-S214 PolarHBondContact O-N 3.11Å; D210-S214 PolarHBondContact O-OG 2.87Å
211D89.3Confident78.6Confident79 Ų7969.5 Ų69.542%0.42240%0.395SS..Hα-helixtrans-62.3-41173.5176.745.3000112.4M207 L209 R215M207-D211 WeakPolarHBondContact O-CB 3.18Å; M207-D211 PolarHBondContact O-N 2.96Å; L209-D211 VanDerWaalsContact C-N 3.34Å; L209-D211 PolarHBondContact O-N 2.79Å; D211-R215 VanDerWaalsContact CG-CZ 3.44Å; D211-R215 VanDerWaalsContact CG-NH2 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.36Å; D211-R215 PolarHBondContact O-N 2.84Å; D211-R215 VanDerWaalsContact O-N 3.13Å; D211-R215 IonicContact OD1-CZ 2.65Å; D211-R215 IonicContact OD1-NH1 3.68Å; D211-R215 PolarHBondContact OD1-NH1 2.83Å; D211-R215 IonicContact OD1-NH2 3.38Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NH1 2.69Å; D211-R215 PolarHBondContact OD2-NH1 3.11Å; D211-R215 IonicContact OD2-NH2 3.1Å; D211-R215 PolarHBondContact OD2-NH2 3.46Å
212I89.6Confident75.8Confident9 Ų971.5 Ų71.55%0.04642%0.42CS..Hα-helixtrans-69.9-43.5174.9-65.8164.7000111.5L159 I160 Q167 I171 M208 L209 R215 G216L159-I212 HydrophobicContact CB-CG2 3.87Å; I160-I212 HydrophobicContact CG1-CB 4.34Å; I160-I212 HydrophobicContact CG1-CG2 3.74Å; Q167-I212 HydrophobicContact CG-CD1 3.95Å; I171-I212 HydrophobicContact CD1-CD1 3.52Å; I171-I212 HydrophobicContact CG1-CD1 4.17Å; M208-I212 WeakPolarHBondContact O-CD1 3.49Å; M208-I212 VanDerWaalsContact O-CG1 3.29Å; M208-I212 WeakPolarHBondContact O-CG1 3.35Å; M208-I212 PolarHBondContact O-N 2.91Å; L209-I212 PolarHBondContact O-N 3.36Å; I212-R215 PolarHBondContact O-N 2.77Å; I212-G216 PolarHBondContact O-N 3.45Å
213V87.7Confident73.1Confident14 Ų1479.6 Ų79.69%0.08546%0.458CS..Hα-helixtrans-63.9-43.5177.9169.90000110.9V152 P153 M156 I160 L209 D210 G216 R217V152-V213 HydrophobicContact CB-CG2 4.17Å; V152-V213 HydrophobicContact CG1-CG2 4.17Å; P153-V213 HydrophobicContact CG-CG1 3.87Å; M156-V213 HydrophobicContact CB-CG2 4.12Å; M156-V213 HydrophobicContact CG-CG1 4.37Å; I160-V213 HydrophobicContact CD1-CG2 3.96Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.82Å; D210-V213 PolarHBondContact O-N 2.9Å; V213-G216 PolarHBondContact O-N 3.02Å; V213-G216 VanDerWaalsContact O-N 3.11Å; V213-R217 PolarHBondContact O-N 2.84Å; V213-R217 VanDerWaalsContact O-N 3.1Å
214S84.8Confident70.4Confident74 Ų7481.7 Ų81.752%0.51747%0.466SS..Hα-helixtrans-63-43.5179-67.30000111.9D210 G216 R217D210-S214 WeakPolarHBondContact O-CB 3.5Å; D210-S214 PolarHBondContact O-N 3.11Å; D210-S214 PolarHBondContact O-OG 2.87Å; S214-G216 PolarHBondContact O-N 2.67Å; S214-R217 PolarHBondContact O-N 3.16Å
215R79.3Confident67.9Low152 Ų15282.9 Ų82.957%0.57447%0.473SS*.Hα-helixtrans-61-25.9173.3-79.6-169-69.2-101.1-7113.8D211 I212D211-R215 VanDerWaalsContact CG-CZ 3.44Å; D211-R215 VanDerWaalsContact CG-NH2 3.28Å; D211-R215 WeakPolarHBondContact O-CG 3.36Å; D211-R215 PolarHBondContact O-N 2.84Å; D211-R215 VanDerWaalsContact O-N 3.13Å; D211-R215 IonicContact OD1-CZ 2.65Å; D211-R215 IonicContact OD1-NH1 3.68Å; D211-R215 PolarHBondContact OD1-NH1 2.83Å; D211-R215 IonicContact OD1-NH2 3.38Å; D211-R215 IonicContact OD2-CZ 2.79Å; D211-R215 IonicContact OD2-NH1 2.69Å; D211-R215 PolarHBondContact OD2-NH1 3.11Å; D211-R215 IonicContact OD2-NH2 3.1Å; D211-R215 PolarHBondContact OD2-NH2 3.46Å; I212-R215 PolarHBondContact O-N 2.77Å
216G68.9Low65.3Low28 Ų2888.1 Ų88.129%0.28950%0.501SS..Hα-helixtrans-91-23.8-179.600000115.6M156 I212 V213 S214M156-G216 VanDerWaalsContact CE-C 3.46Å; M156-G216 VanDerWaalsContact CE-O 3.23Å; M156-G216 WeakPolarHBondContact CE-O 3.45Å; M156-G216 VanDerWaalsContact SD-CA 3.59Å; I212-G216 PolarHBondContact O-N 3.45Å; V213-G216 PolarHBondContact O-N 3.02Å; V213-G216 VanDerWaalsContact O-N 3.11Å; S214-G216 PolarHBondContact O-N 2.67Å
217R63.7Low62.7Low174 Ų17492.8 Ų92.866%0.65753%0.528SS*.SBendtrans-86.3-3.6-163.3-130-167.5-157.6-117.111.3117.3M156 V213 S214M156-R217 HydrophobicContact CE-CB 4.35Å; M156-R217 HydrophobicContact CE-CG 4.08Å; V213-R217 PolarHBondContact O-N 2.84Å; V213-R217 VanDerWaalsContact O-N 3.1Å; S214-R217 PolarHBondContact O-N 3.16Å
218G45.2Very low60.2Low73 Ų7391.4 Ų91.475%0.75354%0.537SS*.SBendtrans-178108.617800000117.1
219G35.1Very low57.6Low67 Ų6795.7 Ų95.769%0.69156%0.56SS**SBendtrans161.8150.9169.500000111.9
220P40.6Very low54.6Low128 Ų12899.6 Ų99.683%0.83160%0.601SS**  trans-61.3160.6176.5-21.834.1000113.5
221P38.9Very low51.7Low135 Ų13598.3 Ų98.388%0.87761%0.608SS**SBendtrans-82137-162.331.6-35.8000115
222G34.7Very low49.4Very low67 Ų67103.8 Ų103.869%0.69163%0.631SS**  trans104.7132.8166.100000114.4
223Q35.9Very low47.3Very low170 Ų170111 Ų11179%0.79467%0.669SS**  cis-159.288-0.4-161.4164.485.700110.3
224F36.3Very low46Very low149 Ų149111.7 Ų111.765%0.65468%0.679SS**  trans-111.9107.8174.8-68-78000111.1Q237F224-Q237 VanDerWaalsContact CZ-OE1 3.25Å
225H40.9Very low45.8Very low130 Ų130111 Ų11160%0.60267%0.672SS**  trans-158.3126.5158.1-125.892000110.9
226D39.9Very low46.1Very low111 Ų111106.4 Ų106.459%0.59466%0.66SS**  trans11.8135.3155.8-63.6-105.2000121.5
227N39.2Very low46.9Very low138 Ų138107.7 Ų107.774%0.73866%0.659SS**  -152.2104.699.5-171.616.4000112N229N227-N229 VanDerWaalsContact C-N 3.26Å; N227-N229 PolarHBondContact O-N 2.95Å; N227-N229 VanDerWaalsContact O-N 3.11Å; N227-N229 PolarHBondContact OD1-N 3.12Å
228A38.9Very low48.2Very low100 Ų100103 Ų10383%0.82665%0.645SS**  trans-8366.516900000111
229N37.6Very low50.2Low127 Ų127100.4 Ų100.468%0.67961%0.613SS**SBendtrans-149.3110.7169.1-164.59.1000113.3N227 G231N227-N229 VanDerWaalsContact C-N 3.26Å; N227-N229 PolarHBondContact O-N 2.95Å; N227-N229 VanDerWaalsContact O-N 3.11Å; N227-N229 PolarHBondContact OD1-N 3.12Å; N229-G231 PolarHBondContact O-N 3.11Å
230G30Very low52.8Low83 Ų83103.7 Ų103.786%0.85661%0.612SS**SBendtrans54.858.2145.700000119.7
231G29.6Very low55Low57 Ų5797.6 Ų97.659%0.58857%0.573SS**SBendtrans141.6117.5156.700000116.7N229 N233N229-G231 PolarHBondContact O-N 3.11Å; G231-N233 PolarHBondContact O-N 3.38Å
232Q39.8Very low57.2Low194 Ų19493.3 Ų93.391%0.90755%0.545SS*.SBendtrans45.451.8155.6-56.2-175.511.400117.6
233N47.1Very low59.1Low160 Ų16091 Ų9186%0.85652%0.52SS*.  trans-141115.1164.3-88.1-65.8000111.5G231G231-N233 PolarHBondContact O-N 3.38Å
234G60.5Low61.2Low28 Ų2886.6 Ų86.629%0.28952%0.519SS..  trans-72.1146.3172.300000111.2G288G234-G288 CarbonylContact C-O 3.54Å; G234-G288 VanDerWaalsContact CA-O 3.27Å; G234-G288 WeakPolarHBondContact CA-O 3.35Å
235T79.1Confident63.6Low61 Ų6181 Ų8137%0.37450%0.495SS..EExtended strand (participates in β ladder)trans-52.5141.9168.256.90000111.2I287 G288 P290 V293T235-I287 CarbonylContact O-C 3.28Å; T235-I287 VanDerWaalsContact O-CA 3.26Å; T235-I287 WeakPolarHBondContact O-CA 3.48Å; T235-G288 PolarHBondContact N-O 3.24Å; T235-G288 PolarHBondContact O-N 3.14Å; T235-G288 PolarHBondContact OG1-O 2.58Å; T235-P290 HydrophobicContact CG2-CB 3.93Å; T235-P290 HydrophobicContact CG2-CG 4.32Å; T235-P290 WeakPolarHBondContact OG1-CA 3.2Å; T235-V293 WeakPolarHBondContact OG1-CG2 3.3Å
236V85.5Confident65.7Low54 Ų5475 Ų7533%0.32747%0.467SS..EExtended strand (participates in β ladder)trans-111.3120.5178.6179.30000108E238 R285 I286 I287V236-E238 HydrophobicContact CG1-CG 4.47Å; V236-R285 HydrophobicContact CG1-CG 3.6Å; V236-R285 VanDerWaalsContact CG1-NE 3.34Å; V236-I286 CarbonylContact C-O 3.35Å; V236-I286 WeakPolarHBondContact CA-O 3.36Å; V236-I287 HydrophobicContact CG1-CG1 4.49Å; V236-I287 HydrophobicContact CG2-CG1 4.22Å; V236-I287 HydrophobicContact CG2-CG2 4.16Å
237Q87.2Confident67.9Low55 Ų5572 Ų7226%0.25746%0.463SS..EExtended strand (participates in β ladder)trans-118.9126.8172.3-179.861.761.500109F224 I239 I286 V293F224-Q237 VanDerWaalsContact CZ-OE1 3.25Å; Q237-I239 HydrophobicContact CG-CG2 4.23Å; Q237-I286 PolarHBondContact N-O 3.18Å; Q237-I286 PolarHBondContact O-N 3.22Å; Q237-V293 HydrophobicContact CB-CG1 3.33Å; Q237-V293 HydrophobicContact CG-CG1 4.33Å
238E89.4Confident70.2Confident76 Ų7667.2 Ų67.236%0.35544%0.437SS..EExtended strand (participates in β ladder)trans-102.2137.6172.2-61.6-17117300109.5V236 L284 R285V236-E238 HydrophobicContact CG1-CG 4.47Å; E238-L284 CarbonylContact C-O 3.26Å; E238-L284 WeakPolarHBondContact CA-O 3.2Å; E238-R285 HydrophobicContact CG-CB 3.94Å; E238-R285 HydrophobicContact CG-CG 3.89Å; E238-R285 WeakPolarHBondContact OE1-CD 3.46Å; E238-R285 IonicContact OE1-CZ 2.82Å; E238-R285 IonicContact OE1-NE 3.83Å; E238-R285 IonicContact OE1-NH1 2.68Å; E238-R285 PolarHBondContact OE1-NH1 3.44Å; E238-R285 VanDerWaalsContact OE1-NH1 3.11Å
239I89Confident72.7Confident19 Ų1962.6 Ų62.610%0.09740%0.398CS..EExtended strand (participates in β ladder)trans-131.5137.2175.360.9178.9000110.7Q237 L284 I286 V300Q237-I239 HydrophobicContact CG-CG2 4.23Å; I239-L284 HydrophobicContact CD1-CD2 4.27Å; I239-L284 HydrophobicContact CG1-CB 4Å; I239-L284 HydrophobicContact CG1-CD2 4.37Å; I239-L284 PolarHBondContact N-O 2.89Å; I239-L284 PolarHBondContact O-N 3.49Å; I239-I286 HydrophobicContact CD1-CD1 3.86Å; I239-I286 HydrophobicContact CG1-CD1 4.38Å; I239-V300 HydrophobicContact CD1-CB 3.77Å; I239-V300 HydrophobicContact CD1-CG1 3.55Å; I239-V300 HydrophobicContact CD1-CG2 4.41Å
240M88.2Confident75.1Confident135 Ų13558.6 Ų58.667%0.66538%0.377SS*.EExtended strand (participates in β ladder)trans-79.8122.9179.3-66.8175.765.900110.1D281M240-D281 HydrophobicContact CB-CB 4.19Å; M240-D281 HydrophobicContact CE-CB 3.8Å
241I86.8Confident77.7Confident0 Ų055.5 Ų55.50%034%0.344CS..EExtended strand (participates in β ladder)trans-108.4121.7177.4-58.6-173.2000109.9A243 K245 A246 V249 L270 D281 K282 L284 V300 L304I241-A243 PolarHBondContact O-N 3.28Å; I241-K245 HydrophobicContact CG2-CB 4.36Å; I241-A246 HydrophobicContact CG2-CB 4.08Å; I241-V249 HydrophobicContact CD1-CB 4Å; I241-V249 HydrophobicContact CD1-CG1 3.87Å; I241-V249 HydrophobicContact CD1-CG2 4.02Å; I241-V249 HydrophobicContact CG2-CG2 4.44Å; I241-L270 HydrophobicContact CD1-CD1 4.31Å; I241-D281 CarbonylContact O-C 3.58Å; I241-D281 WeakPolarHBondContact O-CA 3.47Å; I241-K282 WeakPolarHBondContact CB-O 3.21Å; I241-K282 PolarHBondContact N-O 3.04Å; I241-K282 PolarHBondContact O-N 3.02Å; I241-L284 HydrophobicContact CD1-CB 3.46Å; I241-L284 VanDerWaalsContact CD1-CB 3.46Å; I241-L284 HydrophobicContact CD1-CD2 3.77Å; I241-L284 HydrophobicContact CD1-CG 4.1Å; I241-L284 HydrophobicContact CG1-CB 3.99Å; I241-V300 HydrophobicContact CD1-CG1 4.05Å; I241-L304 HydrophobicContact CG1-CD1 4.27Å; I241-L304 HydrophobicContact CG2-CD1 4.43Å; I241-L304 HydrophobicContact CG2-CD2 3.76Å
242P85.3Confident80.3Confident45 Ų4561.7 Ų61.729%0.29236%0.355SS..  trans-51.5136.6176.4-29.536.1000113G244 K245 A246 D281P242-G244 VanDerWaalsContact C-N 3.31Å; P242-G244 PolarHBondContact O-N 3.37Å; P242-K245 HydrophobicContact CB-CB 4.19Å; P242-K245 HydrophobicContact CB-CD 4.28Å; P242-K245 HydrophobicContact CB-CG 4.18Å; P242-K245 HydrophobicContact CG-CD 4.26Å; P242-K245 CarbonylContact O-C 3.5Å; P242-K245 WeakPolarHBondContact O-CA 3.45Å; P242-K245 PolarHBondContact O-N 3.11Å; P242-A246 PolarHBondContact O-N 3.46Å; P242-D281 WeakPolarHBondContact CA-OD1 3.25Å
243A75.8Confident82.4Confident20 Ų2056.9 Ų56.917%0.16536%0.358CS..Hα-helixtrans-51.7-46.3-170.700000113.5I241 K245 A246 T278 V280I241-A243 PolarHBondContact O-N 3.28Å; A243-K245 VanDerWaalsContact C-N 3.27Å; A243-K245 PolarHBondContact O-N 3.24Å; A243-A246 PolarHBondContact O-N 3.45Å; A243-T278 WeakPolarHBondContact CB-O 3.47Å; A243-V280 WeakPolarHBondContact CB-O 3.19Å
244G80Confident84.2Confident76 Ų7650.2 Ų50.278%0.78433%0.327SS*.Hα-helixtrans-70.2-16.8176.500000114.9P242P242-G244 VanDerWaalsContact C-N 3.31Å; P242-G244 PolarHBondContact O-N 3.37Å
245K85.8Confident85.6Confident32 Ų3253.3 Ų53.314%0.13933%0.334CS..Hα-helixtrans-98.7-13.7177.1-62.1-171.3-176.5176.50113.7I241 P242 A243 G247 L248 V249 L304 D308I241-K245 HydrophobicContact CG2-CB 4.36Å; P242-K245 HydrophobicContact CB-CB 4.19Å; P242-K245 HydrophobicContact CB-CD 4.28Å; P242-K245 HydrophobicContact CB-CG 4.18Å; P242-K245 HydrophobicContact CG-CD 4.26Å; P242-K245 CarbonylContact O-C 3.5Å; P242-K245 WeakPolarHBondContact O-CA 3.45Å; P242-K245 PolarHBondContact O-N 3.11Å; A243-K245 VanDerWaalsContact C-N 3.27Å; A243-K245 PolarHBondContact O-N 3.24Å; K245-G247 VanDerWaalsContact C-N 3.26Å; K245-G247 PolarHBondContact O-N 3.38Å; K245-L248 HydrophobicContact CB-CD1 3.85Å; K245-L248 HydrophobicContact CG-CD1 3.87Å; K245-L248 WeakPolarHBondContact O-CA 3.2Å; K245-L248 WeakPolarHBondContact O-CB 3.22Å; K245-L248 WeakPolarHBondContact O-CG 3.37Å; K245-L248 PolarHBondContact O-N 3.37Å; K245-V249 PolarHBondContact O-N 3.43Å; K245-L304 HydrophobicContact CB-CD2 3.55Å; K245-L304 HydrophobicContact CD-CB 4.45Å; K245-L304 HydrophobicContact CD-CD2 3.91Å; K245-L304 HydrophobicContact CG-CD2 4.38Å; K245-L304 PolarHBondContact NZ-O 3.25Å; K245-D308 WeakPolarHBondContact CE-OD1 3.29Å; K245-D308 IonicContact NZ-OD1 3.88Å; K245-D308 PolarHBondContact NZ-OD1 3.46Å; K245-D308 IonicContact NZ-OD2 2.78Å; K245-D308 PolarHBondContact NZ-OD2 2.99Å
246A85.9Confident86.2Confident3 Ų352.2 Ų52.23%0.02533%0.327CS..Hα-helixtrans-55.3-41.1177.500000112.3I241 P242 A243 L248 V249 I250 L270 K282I241-A246 HydrophobicContact CG2-CB 4.08Å; P242-A246 PolarHBondContact O-N 3.46Å; A243-A246 PolarHBondContact O-N 3.45Å; A246-L248 PolarHBondContact O-N 2.87Å; A246-V249 PolarHBondContact O-N 2.9Å; A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.47Å; A246-I250 PolarHBondContact O-N 2.81Å; A246-L270 HydrophobicContact CB-CD2 4.36Å; A246-K282 HydrophobicContact CB-CD 4Å
247G86Confident86.4Confident48 Ų4850.5 Ų50.550%0.49532%0.316SS..Hα-helixtrans-61.9-24175.100000114.6K245 G251K245-G247 VanDerWaalsContact C-N 3.26Å; K245-G247 PolarHBondContact O-N 3.38Å; G247-G251 PolarHBondContact O-N 3.44Å
248L87.6Confident86.7Confident39 Ų3954.6 Ų54.620%0.20433%0.333CS..Hα-helixtrans-73.5-38.8177-51.8173000111.4K245 A246 I303 R307K245-L248 HydrophobicContact CB-CD1 3.85Å; K245-L248 HydrophobicContact CG-CD1 3.87Å; K245-L248 WeakPolarHBondContact O-CA 3.2Å; K245-L248 WeakPolarHBondContact O-CB 3.22Å; K245-L248 WeakPolarHBondContact O-CG 3.37Å; K245-L248 PolarHBondContact O-N 3.37Å; A246-L248 PolarHBondContact O-N 2.87Å; L248-I303 HydrophobicContact CB-CG2 4.2Å; L248-R307 HydrophobicContact CD1-CB 4.01Å
249V89.8Confident86.8Confident2 Ų253.2 Ų53.21%0.01233%0.327CS..Hα-helixtrans-81.1-36.5-179.2-179.20000111.2I241 K245 A246 I257 L260 L284 V300 I303 L304I241-V249 HydrophobicContact CD1-CB 4Å; I241-V249 HydrophobicContact CD1-CG1 3.87Å; I241-V249 HydrophobicContact CD1-CG2 4.02Å; I241-V249 HydrophobicContact CG2-CG2 4.44Å; K245-V249 PolarHBondContact O-N 3.43Å; A246-V249 PolarHBondContact O-N 2.9Å; V249-I257 WeakPolarHBondContact O-CA 3.48Å; V249-I257 WeakPolarHBondContact O-CB 3.18Å; V249-I257 PolarHBondContact O-N 3.44Å; V249-I257 VanDerWaalsContact O-N 3.07Å; V249-L260 HydrophobicContact CG1-CD1 4.14Å; V249-L284 HydrophobicContact CG1-CD2 4.11Å; V249-V300 HydrophobicContact CG1-CG1 3.82Å; V249-V300 HydrophobicContact CG1-CG2 4.13Å; V249-V300 HydrophobicContact CG2-CG1 3.95Å; V249-I303 HydrophobicContact CG2-CG2 3.97Å; V249-L304 HydrophobicContact CG2-CD2 3.71Å; V249-L304 HydrophobicContact CG2-CG 4.21Å
250I87.8Confident86.9Confident44 Ų4453 Ų5323%0.22633%0.325CS..Hα-helixtrans-65.3-47.2171.7-57.5162.7000110.5A246 G254 T256 I257 L270A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.47Å; A246-I250 PolarHBondContact O-N 2.81Å; I250-G254 CarbonylContact O-C 3.58Å; I250-G254 VanDerWaalsContact O-C 3.23Å; I250-G254 VanDerWaalsContact O-CA 3.28Å; I250-G254 WeakPolarHBondContact O-CA 3.33Å; I250-T256 PolarHBondContact O-N 2.98Å; I250-T256 VanDerWaalsContact O-N 3.13Å; I250-I257 HydrophobicContact CG2-CG2 4.24Å; I250-I257 PolarHBondContact O-N 2.83Å; I250-L270 HydrophobicContact CD1-CD2 3.46Å; I250-L270 VanDerWaalsContact CD1-CD2 3.46Å; I250-L270 HydrophobicContact CG1-CD2 3.77Å
251G85.4Confident87Confident17 Ų1748.7 Ų48.718%0.17530%0.304CS..  trans75.2171.2-168.400000113.2G247 G253 G254 T256G247-G251 PolarHBondContact O-N 3.44Å; G251-G253 PolarHBondContact O-N 3.1Å; G251-G254 PolarHBondContact O-N 3.37Å; G251-T256 WeakPolarHBondContact CA-OG1 3.26Å
252K85.2Confident87.3Confident187 Ų18756 Ų5681%0.81334%0.338SS*.G310 helixtrans-63.1128174.9-64.5179.4-179178.20108.7G254 E255K252-G254 PolarHBondContact O-N 3.28Å; K252-G254 VanDerWaalsContact O-N 3.13Å; K252-E255 WeakPolarHBondContact O-CB 3.34Å; K252-E255 PolarHBondContact O-N 3.17Å; K252-E255 VanDerWaalsContact O-N 3.14Å
253G83.2Confident87.6Confident94 Ų9462.9 Ų62.997%0.96936%0.358SS*.G310 helixtrans63.114.3-179.500000116G251 E255G251-G253 PolarHBondContact O-N 3.1Å; G253-E255 VanDerWaalsContact C-N 3.32Å
254G85.7Confident88.3Confident20 Ų2062.1 Ų62.121%0.20635%0.352CS..G310 helixtrans78.612-174.200000114.5I250 G251 K252 I257 K258I250-G254 CarbonylContact O-C 3.58Å; I250-G254 VanDerWaalsContact O-C 3.23Å; I250-G254 VanDerWaalsContact O-CA 3.28Å; I250-G254 WeakPolarHBondContact O-CA 3.33Å; G251-G254 PolarHBondContact O-N 3.37Å; K252-G254 PolarHBondContact O-N 3.28Å; K252-G254 VanDerWaalsContact O-N 3.13Å; G254-I257 VanDerWaalsContact O-CG2 3.25Å; G254-I257 WeakPolarHBondContact O-CG2 3.28Å; G254-K258 VanDerWaalsContact O-CB 3.27Å; G254-K258 WeakPolarHBondContact O-CB 3.46Å; G254-K258 PolarHBondContact O-N 3Å
255E89.5Confident88.8Confident92 Ų9260.5 Ų60.543%0.4334%0.335SS..Hα-helixtrans-63.5-43.7-176.3-164.1-168.7159.400112.4K252 G253 K258 Q259K252-E255 WeakPolarHBondContact O-CB 3.34Å; K252-E255 PolarHBondContact O-N 3.17Å; K252-E255 VanDerWaalsContact O-N 3.14Å; G253-E255 VanDerWaalsContact C-N 3.32Å; E255-K258 PolarHBondContact O-N 2.83Å; E255-Q259 VanDerWaalsContact O-CG 3.29Å; E255-Q259 WeakPolarHBondContact O-CG 3.5Å; E255-Q259 PolarHBondContact O-N 3.23Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å
256T90.3Very high89.2Confident38 Ų3859.6 Ų59.623%0.23333%0.332CS..Hα-helixtrans-69.2-44.6-177.2-54.90000111.7I250 G251 K258 Q259 L260 I303I250-T256 PolarHBondContact O-N 2.98Å; I250-T256 VanDerWaalsContact O-N 3.13Å; G251-T256 WeakPolarHBondContact CA-OG1 3.26Å; T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 3.12Å; T256-Q259 PolarHBondContact O-N 2.9Å; T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.49Å; T256-L260 PolarHBondContact O-N 2.88Å; T256-I303 HydrophobicContact CG2-CD1 4.32Å
257I91.5Very high89.5Confident18 Ų1865.5 Ų65.59%0.09236%0.357CS..Hα-helixtrans-65.2-31.6174.7-171174.5000111.4V249 I250 G254 Q261 M268 L284V249-I257 WeakPolarHBondContact O-CA 3.48Å; V249-I257 WeakPolarHBondContact O-CB 3.18Å; V249-I257 PolarHBondContact O-N 3.44Å; V249-I257 VanDerWaalsContact O-N 3.07Å; I250-I257 HydrophobicContact CG2-CG2 4.24Å; I250-I257 PolarHBondContact O-N 2.83Å; G254-I257 VanDerWaalsContact O-CG2 3.25Å; G254-I257 WeakPolarHBondContact O-CG2 3.28Å; I257-Q261 WeakPolarHBondContact O-CB 3.27Å; I257-Q261 WeakPolarHBondContact O-CG 3.47Å; I257-Q261 PolarHBondContact O-N 2.74Å; I257-Q261 PolarHBondContact O-NE2 3.2Å; I257-M268 HydrophobicContact CD1-CB 3.89Å; I257-M268 HydrophobicContact CG1-CB 3.77Å; I257-M268 HydrophobicContact CG1-SD 4.14Å; I257-L284 HydrophobicContact CD1-CD1 3.7Å
258K91.7Very high89.8Confident141 Ų14163.6 Ų63.661%0.61334%0.335SS*.Hα-helixtrans-69.1-43.7174-172.3-179177.5-172.90112G254 E255 T256 Q261 E262G254-K258 VanDerWaalsContact O-CB 3.27Å; G254-K258 WeakPolarHBondContact O-CB 3.46Å; G254-K258 PolarHBondContact O-N 3Å; E255-K258 PolarHBondContact O-N 2.83Å; T256-K258 VanDerWaalsContact C-N 3.26Å; T256-K258 PolarHBondContact O-N 3.12Å; K258-Q261 WeakPolarHBondContact O-CB 3.41Å; K258-Q261 PolarHBondContact O-N 3.49Å; K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 PolarHBondContact O-N 2.9Å
259Q91.7Very high89.9Confident48 Ų4865 Ų6522%0.22434%0.343CS..Hα-helixtrans-64.9-39175.5-72.3167.81.900112.3E255 T256 E262 R263 Y318E255-Q259 VanDerWaalsContact O-CG 3.29Å; E255-Q259 WeakPolarHBondContact O-CG 3.5Å; E255-Q259 PolarHBondContact O-N 3.23Å; E255-Q259 PolarHBondContact OE1-NE2 3.38Å; T256-Q259 PolarHBondContact O-N 2.9Å; Q259-E262 PolarHBondContact O-N 2.89Å; Q259-R263 WeakPolarHBondContact O-CB 3.37Å; Q259-R263 PolarHBondContact O-N 3.06Å; Q259-Y318 VanDerWaalsContact CD-CE1 3.46Å
260L92.1Very high89.8Confident13 Ų1366.1 Ų66.17%0.06835%0.348CS..Hα-helixtrans-63.4-43.4174.9-75.8165.4000111.9V249 T256 A264 M268 M299 V300 I303V249-L260 HydrophobicContact CG1-CD1 4.14Å; T256-L260 HydrophobicContact CG2-CD1 4.1Å; T256-L260 WeakPolarHBondContact O-CB 3.32Å; T256-L260 VanDerWaalsContact O-CG 3.3Å; T256-L260 WeakPolarHBondContact O-CG 3.49Å; T256-L260 PolarHBondContact O-N 2.88Å; L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.25Å; L260-M268 HydrophobicContact CB-CE 3.72Å; L260-M268 HydrophobicContact CB-SD 3.75Å; L260-M299 HydrophobicContact CD2-CB 3.83Å; L260-M299 HydrophobicContact CD2-CE 4.42Å; L260-V300 HydrophobicContact CD1-CG2 4.19Å; L260-I303 HydrophobicContact CD1-CD1 3.73Å; L260-I303 HydrophobicContact CD2-CD1 3.95Å; L260-I303 HydrophobicContact CG-CD1 4.27Å
261Q91Very high89.6Confident46 Ų4666 Ų6622%0.21535%0.348CS..Hα-helixtrans-57.9-51.4172.8-80173.996.100112I257 K258 G265 V266 M268I257-Q261 WeakPolarHBondContact O-CB 3.27Å; I257-Q261 WeakPolarHBondContact O-CG 3.47Å; I257-Q261 PolarHBondContact O-N 2.74Å; I257-Q261 PolarHBondContact O-NE2 3.2Å; K258-Q261 WeakPolarHBondContact O-CB 3.41Å; K258-Q261 PolarHBondContact O-N 3.49Å; Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 3.02Å; Q261-V266 CarbonylContact C-O 3.58Å; Q261-V266 WeakPolarHBondContact CA-O 3.45Å; Q261-V266 WeakPolarHBondContact CB-O 3.37Å; Q261-V266 VanDerWaalsContact CG-O 3.3Å; Q261-V266 WeakPolarHBondContact CG-O 3.35Å; Q261-V266 PolarHBondContact O-N 3.28Å; Q261-M268 HydrophobicContact CG-CB 3.49Å; Q261-M268 VanDerWaalsContact CG-CB 3.49Å; Q261-M268 HydrophobicContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-N 3.3Å; Q261-M268 HydrophobicContact CG-SD 3.95Å; Q261-M268 PolarHBondContact OE1-O 2.95Å
262E91.6Very high88.7Confident152 Ų15271.5 Ų71.571%0.7137%0.369SS*.Hα-helixtrans-63.8-43.8-179.4-173.1171.2-175.500112K258 Q259 G265K258-E262 WeakPolarHBondContact O-CB 3.42Å; K258-E262 PolarHBondContact O-N 2.9Å; Q259-E262 PolarHBondContact O-N 2.89Å; E262-G265 PolarHBondContact O-N 3.2Å
263R91.5Very high87.5Confident191 Ų19168.8 Ų68.872%0.72136%0.363SS*.Hα-helixtrans-68.7-39.4-178-178.3177.1172.6120.2-0.9113.6Q259 M299Q259-R263 WeakPolarHBondContact O-CB 3.37Å; Q259-R263 PolarHBondContact O-N 3.06Å; R263-M299 HydrophobicContact CG-CE 4.32Å; R263-M299 HydrophobicContact CG-SD 4.09Å
264A90.6Very high86Confident4 Ų467.4 Ų67.43%0.03335%0.349CS..Hα-helixtrans-82.7-19.1173.200000113L260 V266 K292 A296 M299L260-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 PolarHBondContact O-N 3.25Å; A264-V266 HydrophobicContact CB-CG1 4.11Å; A264-V266 HydrophobicContact CB-CG2 3.82Å; A264-K292 VanDerWaalsContact O-CB 3.32Å; A264-K292 WeakPolarHBondContact O-CB 3.42Å; A264-K292 VanDerWaalsContact O-CD 3.26Å; A264-K292 WeakPolarHBondContact O-CD 3.18Å; A264-K292 VanDerWaalsContact O-CG 3.29Å; A264-K292 WeakPolarHBondContact O-CG 3.46Å; A264-A296 HydrophobicContact CB-CB 3.71Å; A264-M299 HydrophobicContact CB-CE 3.58Å
265G90.9Very high84.3Confident42 Ų4272.1 Ų72.143%0.43338%0.379SS..THydrogen-bonded Turntrans68.441.3-17000000112.6Q261 E262Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 3.02Å; E262-G265 PolarHBondContact O-N 3.2Å
266V94.1Very high82.4Confident13 Ų1374.5 Ų74.58%0.07939%0.39CS..  trans-128.5162.5178.6-570000110.6Q261 A264 M268 I286 I287 K292 V293 A296Q261-V266 CarbonylContact C-O 3.58Å; Q261-V266 WeakPolarHBondContact CA-O 3.45Å; Q261-V266 WeakPolarHBondContact CB-O 3.37Å; Q261-V266 VanDerWaalsContact CG-O 3.3Å; Q261-V266 WeakPolarHBondContact CG-O 3.35Å; Q261-V266 PolarHBondContact O-N 3.28Å; A264-V266 HydrophobicContact CB-CG1 4.11Å; A264-V266 HydrophobicContact CB-CG2 3.82Å; V266-M268 HydrophobicContact CG2-CE 3.49Å; V266-M268 VanDerWaalsContact CG2-CE 3.49Å; V266-M268 HydrophobicContact CG2-CG 4.06Å; V266-I286 HydrophobicContact CB-CG2 4.1Å; V266-I286 HydrophobicContact CG1-CG2 4.47Å; V266-I286 HydrophobicContact CG2-CG2 3.71Å; V266-I287 WeakPolarHBondContact CB-O 3.13Å; V266-K292 HydrophobicContact CG1-CB 3.58Å; V266-V293 HydrophobicContact CG1-CG2 3.95Å; V266-A296 HydrophobicContact CG1-CB 4.34Å; V266-A296 HydrophobicContact CG2-CB 3.73Å
267K92.4Very high80.6Confident126 Ų12678.2 Ų78.255%0.54841%0.408SS..EExtended strand (participates in β ladder)trans-97.3134.4169.1-177.9179.2-174.2-179.40109.4I269 I286 I287K267-I269 HydrophobicContact CG-CG1 4.4Å; K267-I286 CarbonylContact O-C 3.58Å; K267-I286 WeakPolarHBondContact O-CA 3.35Å; K267-I287 HydrophobicContact CB-CB 4.31Å; K267-I287 PolarHBondContact N-O 2.99Å; K267-I287 PolarHBondContact O-N 2.91Å
268M91.8Very high79Confident8 Ų883.6 Ų83.64%0.03944%0.442CS..EExtended strand (participates in β ladder)trans-124.3131.1179.8-62.9176.9-172.400109.5I257 L260 Q261 V266 L284 R285 I286 A296 V300I257-M268 HydrophobicContact CD1-CB 3.89Å; I257-M268 HydrophobicContact CG1-CB 3.77Å; I257-M268 HydrophobicContact CG1-SD 4.14Å; L260-M268 HydrophobicContact CB-CE 3.72Å; L260-M268 HydrophobicContact CB-SD 3.75Å; Q261-M268 HydrophobicContact CG-CB 3.49Å; Q261-M268 VanDerWaalsContact CG-CB 3.49Å; Q261-M268 HydrophobicContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-CG 3.47Å; Q261-M268 VanDerWaalsContact CG-N 3.3Å; Q261-M268 HydrophobicContact CG-SD 3.95Å; Q261-M268 PolarHBondContact OE1-O 2.95Å; V266-M268 HydrophobicContact CG2-CE 3.49Å; V266-M268 VanDerWaalsContact CG2-CE 3.49Å; V266-M268 HydrophobicContact CG2-CG 4.06Å; M268-L284 HydrophobicContact CB-CD1 4.26Å; M268-L284 HydrophobicContact SD-CD2 4.45Å; M268-R285 CarbonylContact C-O 3.48Å; M268-R285 WeakPolarHBondContact CA-O 3.3Å; M268-I286 HydrophobicContact CE-CG2 4.42Å; M268-I286 HydrophobicContact CG-CG1 4.27Å; M268-I286 HydrophobicContact CG-CG2 4.23Å; M268-A296 HydrophobicContact CE-CB 3.62Å; M268-V300 HydrophobicContact SD-CG2 4.47Å
269I90.1Very high77.7Confident70 Ų7083.8 Ų83.836%0.35945%0.45SS..EExtended strand (participates in β ladder)trans-129111.8-178.5-52.8177.1000107K267 I271 R285 I287K267-I269 HydrophobicContact CG-CG1 4.4Å; I269-I271 PolarHBondContact O-N 3.45Å; I269-R285 HydrophobicContact CB-CB 4.47Å; I269-R285 PolarHBondContact N-O 3.31Å; I269-R285 PolarHBondContact O-N 3.43Å; I269-I287 HydrophobicContact CD1-CD1 3.93Å
270L87.3Confident76.6Confident24 Ų2485.2 Ų85.213%0.12646%0.462CS..EExtended strand (participates in β ladder)trans-79.5114169.9-172.874.1000108.1I241 A246 I250 Q272 K282 L284I241-L270 HydrophobicContact CD1-CD1 4.31Å; A246-L270 HydrophobicContact CB-CD2 4.36Å; I250-L270 HydrophobicContact CD1-CD2 3.46Å; I250-L270 VanDerWaalsContact CD1-CD2 3.46Å; I250-L270 HydrophobicContact CG1-CD2 3.77Å; L270-Q272 HydrophobicContact CD2-CG 4.37Å; L270-Q272 PolarHBondContact O-N 3.38Å; L270-K282 HydrophobicContact CD1-CB 3.91Å; L270-K282 HydrophobicContact CD2-CD 4.26Å; L270-K282 HydrophobicContact CG-CB 4.41Å; L270-L284 HydrophobicContact CB-CD1 3.92Å; L270-L284 HydrophobicContact CD1-CB 3.97Å; L270-L284 HydrophobicContact CD1-CD1 4.03Å
271I83.3Confident76.1Confident42 Ų4287.8 Ų87.822%0.21548%0.476CS..  trans-73.5119.7175.9-60.3173.7000107.1I269 D273 P283 R285I269-I271 PolarHBondContact O-N 3.45Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.29Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.24Å; I271-P283 HydrophobicContact CB-CB 4.49Å; I271-P283 HydrophobicContact CB-CG 4.05Å; I271-P283 WeakPolarHBondContact CB-O 3.47Å; I271-P283 HydrophobicContact CD1-CB 4.48Å; I271-P283 HydrophobicContact CG2-CG 4.36Å; I271-P283 PolarHBondContact N-O 2.82Å; I271-R285 HydrophobicContact CD1-CB 4.31Å
272Q68.1Low75.8Confident133 Ų13389 Ų8962%0.62148%0.48SS*.  trans-112.580173.6-62-170.438.500107.5L270 G274L270-Q272 HydrophobicContact CD2-CG 4.37Å; L270-Q272 PolarHBondContact O-N 3.38Å; Q272-G274 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact O-N 3.12Å
273D59.8Low75.6Confident130 Ų13083.4 Ų83.470%0.69546%0.457SS*.  trans-63.1115.6172.7-67.7-42.4000108.6I271I271-D273 WeakPolarHBondContact CG2-OD1 3.29Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.24Å
274G50.2Low75.6Confident65 Ų6574.3 Ų74.367%0.6742%0.423SS*.THydrogen-bonded Turntrans-65145.6-170.400000112.6Q272Q272-G274 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact O-N 3.12Å
275S50.2Low75.7Confident118 Ų11878 Ų7883%0.82544%0.436SS*.THydrogen-bonded Turntrans90.4-7.116480.50000121.1
276Q50.7Low75.8Confident143 Ų14376 Ų7667%0.66842%0.415SS*.SBendtrans-119.2114-176-70.5-74.6-23.800114.2
277N51.5Low75.6Confident116 Ų11677.2 Ų77.262%0.6242%0.421SS*.  trans46.4118.7159.8-67-11.2000119.8N279 V280N277-N279 PolarHBondContact O-N 3.17Å; N277-V280 HydrophobicContact CB-CG2 3.77Å; N277-V280 PolarHBondContact O-N 2.77Å; N277-V280 VanDerWaalsContact O-N 3.16Å
278T59.6Low75.5Confident130 Ų13071.8 Ų71.880%0.79840%0.4SS*.THydrogen-bonded Turntrans-63.83.1174.846.60000116.2A243A243-T278 WeakPolarHBondContact CB-O 3.47Å
279N62.9Low75.4Confident145 Ų14575.3 Ų75.378%0.77542%0.42SS*.THydrogen-bonded Turntrans-1144.6178.4-77.1-43.1000113.7N277N277-N279 PolarHBondContact O-N 3.17Å
280V69.1Low75.3Confident78 Ų7876.1 Ų76.147%0.47343%0.429SS..SBendtrans-92.2134.4-179.5-176.40000111A243 N277 K282A243-V280 WeakPolarHBondContact CB-O 3.19Å; N277-V280 HydrophobicContact CB-CG2 3.77Å; N277-V280 PolarHBondContact O-N 2.77Å; N277-V280 VanDerWaalsContact O-N 3.16Å; V280-K282 PolarHBondContact O-N 2.74Å
281D80.8Confident75.4Confident68 Ų6883.3 Ų83.336%0.36446%0.456SS..PPolyproline II helixtrans-58.2130.5175.9-65.7-5.7000111M240 I241 P242M240-D281 HydrophobicContact CB-CB 4.19Å; M240-D281 HydrophobicContact CE-CB 3.8Å; I241-D281 CarbonylContact O-C 3.58Å; I241-D281 WeakPolarHBondContact O-CA 3.47Å; P242-D281 WeakPolarHBondContact CA-OD1 3.25Å
282K84.6Confident75.9Confident70 Ų7084.9 Ų84.930%0.30446%0.461SS..EExtended strand (participates in β ladder)trans-94.9125.3-177.4-60.9-169.6178.6-171.70110.1I241 A246 L270 V280 L284I241-K282 WeakPolarHBondContact CB-O 3.21Å; I241-K282 PolarHBondContact N-O 3.04Å; I241-K282 PolarHBondContact O-N 3.02Å; A246-K282 HydrophobicContact CB-CD 4Å; L270-K282 HydrophobicContact CD1-CB 3.91Å; L270-K282 HydrophobicContact CD2-CD 4.26Å; L270-K282 HydrophobicContact CG-CB 4.41Å; V280-K282 PolarHBondContact O-N 2.74Å; K282-L284 PolarHBondContact O-N 3.41Å
283P88Confident77.1Confident36 Ų3678.8 Ų78.823%0.23443%0.433CS..EExtended strand (participates in β ladder)trans-71.4122.517712.3-8.3000111.2I271I271-P283 HydrophobicContact CB-CB 4.49Å; I271-P283 HydrophobicContact CB-CG 4.05Å; I271-P283 WeakPolarHBondContact CB-O 3.47Å; I271-P283 HydrophobicContact CD1-CB 4.48Å; I271-P283 HydrophobicContact CG2-CG 4.36Å; I271-P283 PolarHBondContact N-O 2.82Å
284L92Very high78.6Confident0 Ų079.1 Ų79.10%043%0.431CS..EExtended strand (participates in β ladder)trans-97.2119.3166.9-178.475.7000109.5E238 I239 I241 V249 I257 M268 L270 K282 I286 V300E238-L284 CarbonylContact C-O 3.26Å; E238-L284 WeakPolarHBondContact CA-O 3.2Å; I239-L284 HydrophobicContact CD1-CD2 4.27Å; I239-L284 HydrophobicContact CG1-CB 4Å; I239-L284 HydrophobicContact CG1-CD2 4.37Å; I239-L284 PolarHBondContact N-O 2.89Å; I239-L284 PolarHBondContact O-N 3.49Å; I241-L284 HydrophobicContact CD1-CB 3.46Å; I241-L284 VanDerWaalsContact CD1-CB 3.46Å; I241-L284 HydrophobicContact CD1-CD2 3.77Å; I241-L284 HydrophobicContact CD1-CG 4.1Å; I241-L284 HydrophobicContact CG1-CB 3.99Å; V249-L284 HydrophobicContact CG1-CD2 4.11Å; I257-L284 HydrophobicContact CD1-CD1 3.7Å; M268-L284 HydrophobicContact CB-CD1 4.26Å; M268-L284 HydrophobicContact SD-CD2 4.45Å; L270-L284 HydrophobicContact CB-CD1 3.92Å; L270-L284 HydrophobicContact CD1-CB 3.97Å; L270-L284 HydrophobicContact CD1-CD1 4.03Å; K282-L284 PolarHBondContact O-N 3.41Å; L284-I286 HydrophobicContact CD2-CD1 4.29Å; L284-I286 HydrophobicContact CD2-CG1 4.14Å; L284-I286 HydrophobicContact CG-CG1 4.28Å; L284-V300 HydrophobicContact CD2-CG1 4.13Å; L284-V300 HydrophobicContact CD2-CG2 3.9Å
285R92.1Very high80.6Confident82 Ų8280 Ų8031%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-96.8117177.4-176.3-179.4176.8131.5-7.7110.6V236 E238 M268 I269 I271 I287V236-R285 HydrophobicContact CG1-CG 3.6Å; V236-R285 VanDerWaalsContact CG1-NE 3.34Å; E238-R285 HydrophobicContact CG-CB 3.94Å; E238-R285 HydrophobicContact CG-CG 3.89Å; E238-R285 WeakPolarHBondContact OE1-CD 3.46Å; E238-R285 IonicContact OE1-CZ 2.82Å; E238-R285 IonicContact OE1-NE 3.83Å; E238-R285 IonicContact OE1-NH1 2.68Å; E238-R285 PolarHBondContact OE1-NH1 3.44Å; E238-R285 VanDerWaalsContact OE1-NH1 3.11Å; M268-R285 CarbonylContact C-O 3.48Å; M268-R285 WeakPolarHBondContact CA-O 3.3Å; I269-R285 HydrophobicContact CB-CB 4.47Å; I269-R285 PolarHBondContact N-O 3.31Å; I269-R285 PolarHBondContact O-N 3.43Å; I271-R285 HydrophobicContact CD1-CB 4.31Å; R285-I287 HydrophobicContact CG-CD1 4.21Å; R285-I287 HydrophobicContact CG-CG1 4.03Å
286I92.8Very high82.6Confident0 Ų074.4 Ų74.40%038%0.378CS..EExtended strand (participates in β ladder)trans-105.7128.5-180-49.8-177.7000108.3V236 Q237 I239 V266 K267 M268 L284 V293 A296 C297 V300V236-I286 CarbonylContact C-O 3.35Å; V236-I286 WeakPolarHBondContact CA-O 3.36Å; Q237-I286 PolarHBondContact N-O 3.18Å; Q237-I286 PolarHBondContact O-N 3.22Å; I239-I286 HydrophobicContact CD1-CD1 3.86Å; I239-I286 HydrophobicContact CG1-CD1 4.38Å; V266-I286 HydrophobicContact CB-CG2 4.1Å; V266-I286 HydrophobicContact CG1-CG2 4.47Å; V266-I286 HydrophobicContact CG2-CG2 3.71Å; K267-I286 CarbonylContact O-C 3.58Å; K267-I286 WeakPolarHBondContact O-CA 3.35Å; M268-I286 HydrophobicContact CE-CG2 4.42Å; M268-I286 HydrophobicContact CG-CG1 4.27Å; M268-I286 HydrophobicContact CG-CG2 4.23Å; L284-I286 HydrophobicContact CD2-CD1 4.29Å; L284-I286 HydrophobicContact CD2-CG1 4.14Å; L284-I286 HydrophobicContact CG-CG1 4.28Å; I286-V293 HydrophobicContact CB-CG1 4.22Å; I286-V293 HydrophobicContact CG2-CB 4.39Å; I286-V293 HydrophobicContact CG2-CG1 4.01Å; I286-V293 HydrophobicContact CG2-CG2 4.21Å; I286-A296 HydrophobicContact CD1-CB 4.26Å; I286-A296 HydrophobicContact CG2-CB 3.69Å; I286-C297 HydrophobicContact CD1-CB 4.36Å; I286-V300 HydrophobicContact CD1-CG2 4.45Å
287I91.3Very high84.6Confident37 Ų3768.7 Ų68.719%0.1935%0.353CS..EExtended strand (participates in β ladder)trans-131.5119.8-170.1-47.3178.7000110.1T235 V236 V266 K267 I269 R285T235-I287 CarbonylContact O-C 3.28Å; T235-I287 VanDerWaalsContact O-CA 3.26Å; T235-I287 WeakPolarHBondContact O-CA 3.48Å; V236-I287 HydrophobicContact CG1-CG1 4.49Å; V236-I287 HydrophobicContact CG2-CG1 4.22Å; V236-I287 HydrophobicContact CG2-CG2 4.16Å; V266-I287 WeakPolarHBondContact CB-O 3.13Å; K267-I287 HydrophobicContact CB-CB 4.31Å; K267-I287 PolarHBondContact N-O 2.99Å; K267-I287 PolarHBondContact O-N 2.91Å; I269-I287 HydrophobicContact CD1-CD1 3.93Å; R285-I287 HydrophobicContact CG-CD1 4.21Å; R285-I287 HydrophobicContact CG-CG1 4.03Å
288G90.4Very high86.5Confident12 Ų1269 Ų6912%0.12435%0.351CS..EExtended strand (participates in β ladder)trans168.4-164.2-179.500000113.7G234 T235 V293G234-G288 CarbonylContact C-O 3.54Å; G234-G288 VanDerWaalsContact CA-O 3.27Å; G234-G288 WeakPolarHBondContact CA-O 3.35Å; T235-G288 PolarHBondContact N-O 3.24Å; T235-G288 PolarHBondContact O-N 3.14Å; T235-G288 PolarHBondContact OG1-O 2.58Å; G288-V293 VanDerWaalsContact C-CG2 3.48Å; G288-V293 WeakPolarHBondContact O-CG2 3.32Å
289D89Confident88Confident83 Ų8364.4 Ų64.444%0.44432%0.321SS..  trans-61.4142.6176.3-58.3-51.4000110.9Y291 K292 V293D289-Y291 VanDerWaalsContact C-N 3.31Å; D289-Y291 PolarHBondContact O-N 2.93Å; D289-K292 HydrophobicContact CB-CB 4.24Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 4.12Å; D289-K292 CarbonylContact O-C 3.5Å; D289-K292 WeakPolarHBondContact O-CA 3.2Å; D289-K292 WeakPolarHBondContact O-CB 3.47Å; D289-K292 PolarHBondContact O-N 3.35Å; D289-K292 VanDerWaalsContact OD2-CD 3.3Å; D289-K292 WeakPolarHBondContact OD2-CD 3.26Å; D289-K292 WeakPolarHBondContact OD2-CE 3.43Å; D289-K292 IonicContact OD2-NZ 2.73Å; D289-K292 PolarHBondContact OD2-NZ 3.12Å; D289-V293 WeakPolarHBondContact O-CG2 3.22Å; D289-V293 PolarHBondContact O-N 3.38Å
290P88.1Confident89.4Confident86 Ų8657.5 Ų57.556%0.55828%0.284SS*.Hα-helixtrans-52.4-45.9-173.215.6-29.1000113.5T235 K292 V293 Q294T235-P290 HydrophobicContact CG2-CB 3.93Å; T235-P290 HydrophobicContact CG2-CG 4.32Å; T235-P290 WeakPolarHBondContact OG1-CA 3.2Å; P290-K292 PolarHBondContact O-N 3.36Å; P290-V293 PolarHBondContact O-N 3.34Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.1Å
291Y89.8Confident90.4Very high175 Ų17557.4 Ų57.469%0.68628%0.28SS*.Hα-helixtrans-64-39.9178.1-173.3-100.3000112.7D289 Q295D289-Y291 VanDerWaalsContact C-N 3.31Å; D289-Y291 PolarHBondContact O-N 2.93Å; Y291-Q295 WeakPolarHBondContact O-CB 3.43Å; Y291-Q295 PolarHBondContact O-N 3.22Å
292K92.7Very high90.8Very high75 Ų7557.4 Ų57.433%0.32628%0.279SS..Hα-helixtrans-72-36.2177.5-67.5178.6-176.6161.30112.3A264 V266 D289 P290 Q295 A296A264-K292 VanDerWaalsContact O-CB 3.32Å; A264-K292 WeakPolarHBondContact O-CB 3.42Å; A264-K292 VanDerWaalsContact O-CD 3.26Å; A264-K292 WeakPolarHBondContact O-CD 3.18Å; A264-K292 VanDerWaalsContact O-CG 3.29Å; A264-K292 WeakPolarHBondContact O-CG 3.46Å; V266-K292 HydrophobicContact CG1-CB 3.58Å; D289-K292 HydrophobicContact CB-CB 4.24Å; D289-K292 HydrophobicContact CB-CD 3.98Å; D289-K292 HydrophobicContact CB-CG 4.12Å; D289-K292 CarbonylContact O-C 3.5Å; D289-K292 WeakPolarHBondContact O-CA 3.2Å; D289-K292 WeakPolarHBondContact O-CB 3.47Å; D289-K292 PolarHBondContact O-N 3.35Å; D289-K292 VanDerWaalsContact OD2-CD 3.3Å; D289-K292 WeakPolarHBondContact OD2-CD 3.26Å; D289-K292 WeakPolarHBondContact OD2-CE 3.43Å; D289-K292 IonicContact OD2-NZ 2.73Å; D289-K292 PolarHBondContact OD2-NZ 3.12Å; P290-K292 PolarHBondContact O-N 3.36Å; K292-Q295 PolarHBondContact O-N 3.23Å; K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3Å
293V93.5Very high90.9Very high5 Ų555.8 Ų55.83%0.0327%0.274CS..Hα-helixtrans-68.4-38.2176172.20000110.7T235 Q237 V266 I286 G288 D289 P290 A296 C297T235-V293 WeakPolarHBondContact OG1-CG2 3.3Å; Q237-V293 HydrophobicContact CB-CG1 3.33Å; Q237-V293 HydrophobicContact CG-CG1 4.33Å; V266-V293 HydrophobicContact CG1-CG2 3.95Å; I286-V293 HydrophobicContact CB-CG1 4.22Å; I286-V293 HydrophobicContact CG2-CB 4.39Å; I286-V293 HydrophobicContact CG2-CG1 4.01Å; I286-V293 HydrophobicContact CG2-CG2 4.21Å; G288-V293 VanDerWaalsContact C-CG2 3.48Å; G288-V293 WeakPolarHBondContact O-CG2 3.32Å; D289-V293 WeakPolarHBondContact O-CG2 3.22Å; D289-V293 PolarHBondContact O-N 3.38Å; P290-V293 PolarHBondContact O-N 3.34Å; V293-A296 PolarHBondContact O-N 3.04Å; V293-C297 VanDerWaalsContact O-CB 3.32Å; V293-C297 WeakPolarHBondContact O-CB 3.39Å; V293-C297 PolarHBondContact O-N 3.07Å
294Q90.7Very high90.8Very high138 Ų13855 Ų5565%0.64527%0.268SS*.Hα-helixtrans-63.5-48.6171.4-170.4172.418.300111.6P290 A296 C297 E298P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.1Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 2.99Å; Q294-C297 WeakPolarHBondContact O-CB 3.38Å; Q294-C297 PolarHBondContact O-N 3.19Å; Q294-E298 PolarHBondContact O-N 2.8Å
295Q92.3Very high90.4Very high84 Ų8463 Ų6339%0.39330%0.298SS..Hα-helixtrans-60.2-39175.5-172.8-17936.900112.5Y291 K292 E298 M299Y291-Q295 WeakPolarHBondContact O-CB 3.43Å; Y291-Q295 PolarHBondContact O-N 3.22Å; K292-Q295 PolarHBondContact O-N 3.23Å; Q295-E298 PolarHBondContact O-N 3.4Å; Q295-M299 WeakPolarHBondContact O-CG 3.26Å; Q295-M299 PolarHBondContact O-N 3.42Å
296A93.1Very high89.2Confident0 Ų065.4 Ų65.40%031%0.313CS..Hα-helixtrans-65.4-42.3174.800000112.9A264 V266 M268 I286 K292 V293 Q294 E298 M299 V300A264-A296 HydrophobicContact CB-CB 3.71Å; V266-A296 HydrophobicContact CG1-CB 4.34Å; V266-A296 HydrophobicContact CG2-CB 3.73Å; M268-A296 HydrophobicContact CE-CB 3.62Å; I286-A296 HydrophobicContact CD1-CB 4.26Å; I286-A296 HydrophobicContact CG2-CB 3.69Å; K292-A296 WeakPolarHBondContact O-CB 3.34Å; K292-A296 PolarHBondContact O-N 3Å; V293-A296 PolarHBondContact O-N 3.04Å; Q294-A296 VanDerWaalsContact C-N 3.31Å; Q294-A296 PolarHBondContact O-N 2.99Å; A296-E298 VanDerWaalsContact C-N 3.34Å; A296-M299 PolarHBondContact O-N 3.02Å; A296-V300 WeakPolarHBondContact O-CG2 3.27Å; A296-V300 PolarHBondContact O-N 2.82Å
297C91.5Very high87.5Confident22 Ų2269 Ų6915%0.14933%0.326CS..Hα-helixtrans-59.1-46.3175-177.40000110.8I286 V293 Q294 V300 M301I286-C297 HydrophobicContact CD1-CB 4.36Å; V293-C297 VanDerWaalsContact O-CB 3.32Å; V293-C297 WeakPolarHBondContact O-CB 3.39Å; V293-C297 PolarHBondContact O-N 3.07Å; Q294-C297 WeakPolarHBondContact O-CB 3.38Å; Q294-C297 PolarHBondContact O-N 3.19Å; C297-V300 PolarHBondContact O-N 3.35Å; C297-M301 WeakPolarHBondContact O-CG 3.37Å; C297-M301 PolarHBondContact O-N 2.68Å
298E92Very high85.8Confident123 Ų12372.7 Ų72.758%0.57535%0.346SS*.Hα-helixtrans-59.7-50.5175.9-170.9171.3-152.400111.8Q294 Q295 A296 V300 M301 D302Q294-E298 PolarHBondContact O-N 2.8Å; Q295-E298 PolarHBondContact O-N 3.4Å; A296-E298 VanDerWaalsContact C-N 3.34Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.99Å; E298-M301 PolarHBondContact O-N 3.15Å; E298-D302 PolarHBondContact O-N 3.38Å
299M90.9Very high83.6Confident33 Ų3380.9 Ų80.916%0.16338%0.381CS..Hα-helixtrans-60-33.7176.6-72.1-169.1-61.600113.7L260 R263 A264 Q295 A296 I303L260-M299 HydrophobicContact CD2-CB 3.83Å; L260-M299 HydrophobicContact CD2-CE 4.42Å; R263-M299 HydrophobicContact CG-CE 4.32Å; R263-M299 HydrophobicContact CG-SD 4.09Å; A264-M299 HydrophobicContact CB-CE 3.58Å; Q295-M299 WeakPolarHBondContact O-CG 3.26Å; Q295-M299 PolarHBondContact O-N 3.42Å; A296-M299 PolarHBondContact O-N 3.02Å; M299-I303 WeakPolarHBondContact O-CG1 3.28Å; M299-I303 PolarHBondContact O-N 3.3Å
300V92.2Very high80.9Confident0 Ų080.8 Ų80.80%040%0.4CS..Hα-helixtrans-72.2-43.3173.4175.90000110.6I239 I241 V249 L260 M268 L284 I286 A296 C297 E298 D302 I303 L304I239-V300 HydrophobicContact CD1-CB 3.77Å; I239-V300 HydrophobicContact CD1-CG1 3.55Å; I239-V300 HydrophobicContact CD1-CG2 4.41Å; I241-V300 HydrophobicContact CD1-CG1 4.05Å; V249-V300 HydrophobicContact CG1-CG1 3.82Å; V249-V300 HydrophobicContact CG1-CG2 4.13Å; V249-V300 HydrophobicContact CG2-CG1 3.95Å; L260-V300 HydrophobicContact CD1-CG2 4.19Å; M268-V300 HydrophobicContact SD-CG2 4.47Å; L284-V300 HydrophobicContact CD2-CG1 4.13Å; L284-V300 HydrophobicContact CD2-CG2 3.9Å; I286-V300 HydrophobicContact CD1-CG2 4.45Å; A296-V300 WeakPolarHBondContact O-CG2 3.27Å; A296-V300 PolarHBondContact O-N 2.82Å; C297-V300 PolarHBondContact O-N 3.35Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.99Å; V300-D302 VanDerWaalsContact C-N 3.29Å; V300-D302 PolarHBondContact O-N 3.38Å; V300-I303 PolarHBondContact O-N 3.44Å; V300-L304 HydrophobicContact CG1-CD1 4.16Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.86Å; V300-L304 VanDerWaalsContact O-N 3.1Å
301M89.9Confident78.2Confident77 Ų7779.7 Ų79.738%0.37941%0.405SS..Hα-helixtrans-60.4-37.6176.8-75.6-164.6176.100112.5C297 E298 L304 R305C297-M301 WeakPolarHBondContact O-CG 3.37Å; C297-M301 PolarHBondContact O-N 2.68Å; E298-M301 PolarHBondContact O-N 3.15Å; M301-L304 CarbonylContact O-C 3.52Å; M301-L304 PolarHBondContact O-N 3.15Å; M301-L304 VanDerWaalsContact O-N 3.17Å; M301-R305 WeakPolarHBondContact O-CB 3.16Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.35Å; M301-R305 PolarHBondContact O-N 3.38Å
302D89.2Confident75.8Confident67 Ų6776.6 Ų76.636%0.35840%0.395SS..Hα-helixtrans-64.1-42.8176.2-71.9-20.2000111.8E298 V300 L304 R305 E306E298-D302 PolarHBondContact O-N 3.38Å; V300-D302 VanDerWaalsContact C-N 3.29Å; V300-D302 PolarHBondContact O-N 3.38Å; D302-L304 PolarHBondContact O-N 3.34Å; D302-R305 PolarHBondContact O-N 3.11Å; D302-R305 VanDerWaalsContact O-N 3.12Å; D302-E306 WeakPolarHBondContact O-CB 3.27Å; D302-E306 WeakPolarHBondContact O-CG 3.4Å; D302-E306 PolarHBondContact O-N 3.19Å
303I87.6Confident73.1Confident36 Ų3676 Ų7619%0.18541%0.41CS..Hα-helixtrans-61.2-32.9173.6-69166.6000112L248 V249 T256 L260 M299 V300L248-I303 HydrophobicContact CB-CG2 4.2Å; V249-I303 HydrophobicContact CG2-CG2 3.97Å; T256-I303 HydrophobicContact CG2-CD1 4.32Å; L260-I303 HydrophobicContact CD1-CD1 3.73Å; L260-I303 HydrophobicContact CD2-CD1 3.95Å; L260-I303 HydrophobicContact CG-CD1 4.27Å; M299-I303 WeakPolarHBondContact O-CG1 3.28Å; M299-I303 PolarHBondContact O-N 3.3Å; V300-I303 PolarHBondContact O-N 3.44Å
304L86.3Confident70.6Confident21 Ų2182.3 Ų82.311%0.1144%0.444CS..Hα-helixtrans-76.7-29176.4-62.5176.5000113.2I241 K245 V249 V300 M301 D302I241-L304 HydrophobicContact CG1-CD1 4.27Å; I241-L304 HydrophobicContact CG2-CD1 4.43Å; I241-L304 HydrophobicContact CG2-CD2 3.76Å; K245-L304 HydrophobicContact CB-CD2 3.55Å; K245-L304 HydrophobicContact CD-CB 4.45Å; K245-L304 HydrophobicContact CD-CD2 3.91Å; K245-L304 HydrophobicContact CG-CD2 4.38Å; K245-L304 PolarHBondContact NZ-O 3.25Å; V249-L304 HydrophobicContact CG2-CD2 3.71Å; V249-L304 HydrophobicContact CG2-CG 4.21Å; V300-L304 HydrophobicContact CG1-CD1 4.16Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.86Å; V300-L304 VanDerWaalsContact O-N 3.1Å; M301-L304 CarbonylContact O-C 3.52Å; M301-L304 PolarHBondContact O-N 3.15Å; M301-L304 VanDerWaalsContact O-N 3.17Å; D302-L304 PolarHBondContact O-N 3.34Å
305R82.5Confident68.4Low167 Ų16782.1 Ų82.163%0.6344%0.437SS*.Hα-helixtrans-83-49.1178.7-74.2169.8175.5174.8-0.7112.8M301 D302 R307 D308M301-R305 WeakPolarHBondContact O-CB 3.16Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.35Å; M301-R305 PolarHBondContact O-N 3.38Å; D302-R305 PolarHBondContact O-N 3.11Å; D302-R305 VanDerWaalsContact O-N 3.12Å; R305-R307 PolarHBondContact O-N 3.48Å; R305-D308 PolarHBondContact O-N 3.26Å
306E67Low65.9Low133 Ų13382.7 Ų82.762%0.62144%0.443SS*.THydrogen-bonded Turntrans-61.9-13.9-176.1-75.8-165.3164.600114.3D302D302-E306 WeakPolarHBondContact O-CB 3.27Å; D302-E306 WeakPolarHBondContact O-CG 3.4Å; D302-E306 PolarHBondContact O-N 3.19Å
307R58.3Low63.7Low74 Ų7487.2 Ų87.228%0.27946%0.464SS..THydrogen-bonded Turntrans-112.58.2-174.1-67.4-168.3173.9-1488.4115.4L248 R305 F312L248-R307 HydrophobicContact CD1-CB 4.01Å; R305-R307 PolarHBondContact O-N 3.48Å; R307-F312 HydrophobicContact CB-CE2 3.86Å; R307-F312 HydrophobicContact CB-CZ 4.32Å; R307-F312 HydrophobicContact CG-CE2 3.7Å; R307-F312 HydrophobicContact CG-CZ 3.63Å; R307-F312 VanDerWaalsContact CZ-CE1 3.44Å
308D54.6Low61.1Low116 Ų11692.2 Ų92.262%0.6248%0.48SS*.SBendtrans-77.2-21.6170.4-99.6-27.2000113.8K245 R305 G310K245-D308 WeakPolarHBondContact CE-OD1 3.29Å; K245-D308 IonicContact NZ-OD1 3.88Å; K245-D308 PolarHBondContact NZ-OD1 3.46Å; K245-D308 IonicContact NZ-OD2 2.78Å; K245-D308 PolarHBondContact NZ-OD2 2.99Å; R305-D308 PolarHBondContact O-N 3.26Å; D308-G310 PolarHBondContact O-N 3.44Å
309Q43.9Very low58.7Low183 Ų18388.8 Ų88.886%0.85548%0.478SS*.SBendtrans-84.3112.9172.5-72.2176.52.200108.8
310G32.9Very low56.3Low81 Ų8188 Ų8884%0.83548%0.476SS*.  trans-65.6149.9-161.500000115.6D308D308-G310 PolarHBondContact O-N 3.44Å
311G31.7Very low53.9Low64 Ų6496.9 Ų96.966%0.6651%0.509SS*.  trans152.542.9174.700000116.2G313G311-G313 VanDerWaalsContact C-N 3.31Å; G311-G313 PolarHBondContact O-N 3.37Å
312F38.9Very low51.8Low110 Ų110100 Ų10048%0.48253%0.533SS..THydrogen-bonded Turntrans-8471.4177.5-84.3-69.5000114R307 R315R307-F312 HydrophobicContact CB-CE2 3.86Å; R307-F312 HydrophobicContact CB-CZ 4.32Å; R307-F312 HydrophobicContact CG-CE2 3.7Å; R307-F312 HydrophobicContact CG-CZ 3.63Å; R307-F312 VanDerWaalsContact CZ-CE1 3.44Å; F312-R315 HydrophobicContact CE1-CB 3.93Å
313G37.1Very low49.7Very low62 Ų6299.3 Ų99.364%0.63954%0.541SS*.THydrogen-bonded Turntrans-104.6-46.7159.800000113.2G311G311-G313 VanDerWaalsContact C-N 3.31Å; G311-G313 PolarHBondContact O-N 3.37Å
314D39.8Very low48.3Very low138 Ų13899.6 Ų99.674%0.73855%0.553SS**  trans-12721.9-150.8-76.3-83.6000117.3N316D314-N316 PolarHBondContact O-N 3.45Å
315R45.5Very low47.6Very low133 Ų13399.1 Ų99.150%0.50255%0.553SS.*  trans-93.666.5-177.7-144.3166.2-168.5-173.6-2.7114.1F312 E317F312-R315 HydrophobicContact CE1-CB 3.93Å; R315-E317 HydrophobicContact CG-CB 4.39Å; R315-E317 PolarHBondContact O-N 2.97Å
316N39.8Very low47.8Very low97 Ų9793.4 Ų93.452%0.51954%0.535SS..  trans-80.823.9176.1-166.456.6000114D314 Y318D314-N316 PolarHBondContact O-N 3.45Å; N316-Y318 PolarHBondContact O-N 3.08Å
317E45.5Very low48.8Very low94 Ų9488.2 Ų88.244%0.43951%0.511SS..THydrogen-bonded Turntrans-90.21.8-156.5-166137.564.800116.2R315R315-E317 HydrophobicContact CG-CB 4.39Å; R315-E317 PolarHBondContact O-N 2.97Å
318Y37.7Very low50.3Low127 Ų12785 Ų8550%0.49850%0.5SS..THydrogen-bonded Turntrans-107.5-20.6177.7-129.6-83.6000114.5Q259 N316Q259-Y318 VanDerWaalsContact CD-CE1 3.46Å; N316-Y318 PolarHBondContact O-N 3.08Å
319G41Very low52Low51 Ų5182.9 Ų82.953%0.52649%0.492SS..G310 helixtrans-75.3-27.3175.500000114.1R321G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.11Å
320S40.6Very low54.2Low17 Ų1774.1 Ų74.112%0.11945%0.451CS..G310 helixtrans-76-13.1-173.4-49.70000114.5V322 G323 G324 G325S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.39Å; S320-G323 CarbonylContact O-C 3.54Å; S320-G323 VanDerWaalsContact O-C 3.28Å; S320-G323 PolarHBondContact O-N 3.46Å; S320-G323 VanDerWaalsContact O-N 3.1Å; S320-G324 PolarHBondContact O-N 3.45Å; S320-G324 VanDerWaalsContact O-N 3.07Å; S320-G325 WeakPolarHBondContact CB-O 3.3Å; S320-G325 PolarHBondContact O-N 3.19Å
321R42.1Very low56.9Low186 Ų18670.5 Ų70.570%0.70241%0.413SS*.G310 helixtrans-73.1-22.9178.7-64.4-171-172.7-111.1-0.4113.7G319G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.11Å
322V44.9Very low59.4Low144 Ų14471.2 Ų71.287%0.87340%0.396SS*.THydrogen-bonded Turntrans-92.8-8.9169.9-176.20000111.1S320S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 3.39Å
323G45.5Very low61.7Low52 Ų5272.8 Ų72.854%0.53640%0.404SS..THydrogen-bonded Turntrans-116.422.5-176.900000115.4S320 G325S320-G323 CarbonylContact O-C 3.54Å; S320-G323 VanDerWaalsContact O-C 3.28Å; S320-G323 PolarHBondContact O-N 3.46Å; S320-G323 VanDerWaalsContact O-N 3.1Å; G323-G325 PolarHBondContact O-N 3.03Å
324G58.3Low64.2Low41 Ų4170 Ų7042%0.42338%0.375SS..THydrogen-bonded Turntrans68.428.2162.300000118.1S320 M374 G375S320-G324 PolarHBondContact O-N 3.45Å; S320-G324 VanDerWaalsContact O-N 3.07Å; G324-M374 CarbonylContact O-C 3.54Å; G324-M374 WeakPolarHBondContact O-CA 3.46Å; G324-G375 PolarHBondContact O-N 3.18Å
325G71.9Confident66.6Low11 Ų1164 Ų6411%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-163.9169.6174.300000118S320 G323 I373S320-G325 WeakPolarHBondContact CB-O 3.3Å; S320-G325 PolarHBondContact O-N 3.19Å; G323-G325 PolarHBondContact O-N 3.03Å; G325-I373 CarbonylContact C-O 3.58Å; G325-I373 WeakPolarHBondContact CA-O 3.43Å
326I86.6Confident68.5Low48 Ų4860.2 Ų60.225%0.24635%0.345CS..EExtended strand (participates in β ladder)trans-118.5135.8178.9-58.4-178.8000109.1V328 I373 C380 E381I326-V328 HydrophobicContact CG2-CG2 4.23Å; I326-I373 PolarHBondContact N-O 3.49Å; I326-I373 PolarHBondContact O-N 3.13Å; I326-C380 HydrophobicContact CB-CB 4.35Å; I326-C380 HydrophobicContact CD1-CB 3.46Å; I326-C380 VanDerWaalsContact CD1-CB 3.46Å; I326-C380 HydrophobicContact CG1-CB 3.73Å; I326-E381 HydrophobicContact CD1-CG 3.96Å
327D89Confident70.9Confident23 Ų2358.5 Ų58.512%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-94.1125.1172.8-84.5-26.1000109.8K360 I370 H372D327-K360 IonicContact OD1-NZ 3.88Å; D327-K360 PolarHBondContact OD1-NZ 2.93Å; D327-K360 IonicContact OD2-NZ 2.67Å; D327-K360 PolarHBondContact OD2-NZ 3.21Å; D327-I370 HydrophobicContact CB-CG2 3.64Å; D327-I370 WeakPolarHBondContact OD1-CG2 2.94Å; D327-H372 WeakPolarHBondContact OD1-CB 3.12Å; D327-H372 IonicContact OD1-CE1 3.38Å; D327-H372 IonicContact OD1-CG 3.15Å; D327-H372 IonicContact OD1-ND1 2.69Å; D327-H372 PolarHBondContact OD1-ND1 3.46Å
328V89.2Confident73.1Confident7 Ų754 Ų544%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-115.1123.2178.1177.50000110.3I326 V330 A371 I373 A384 I387I326-V328 HydrophobicContact CG2-CG2 4.23Å; V328-V330 HydrophobicContact CG1-CG2 4.39Å; V328-V330 PolarHBondContact O-N 2.61Å; V328-A371 PolarHBondContact N-O 3.46Å; V328-A371 PolarHBondContact O-N 2.88Å; V328-I373 HydrophobicContact CB-CD1 4.42Å; V328-I373 HydrophobicContact CG2-CD1 3.56Å; V328-I373 HydrophobicContact CG2-CG1 4.25Å; V328-A384 HydrophobicContact CG2-CB 3.73Å; V328-I387 HydrophobicContact CG1-CG2 4.15Å
329P89.8Confident75.6Confident71 Ų7150.6 Ų50.646%0.46131%0.307SS..EExtended strand (participates in β ladder)trans-72126.117428.2-32.3000110.8E368P329-E368 HydrophobicContact CB-CB 4.45Å; P329-E368 WeakPolarHBondContact CB-OE2 3.5Å
330V90.1Very high77.8Confident0 Ų049 Ų490%029%0.29CS..EExtended strand (participates in β ladder)trans-121.6114.6-179.9-178.10000108.7V328 R332 V335 V338 F359 K369 A371 I387 L391V328-V330 HydrophobicContact CG1-CG2 4.39Å; V328-V330 PolarHBondContact O-N 2.61Å; V330-R332 PolarHBondContact O-N 3.28Å; V330-V335 HydrophobicContact CB-CG2 4.16Å; V330-V335 HydrophobicContact CG1-CB 4.41Å; V330-V335 HydrophobicContact CG1-CG2 3.7Å; V330-V338 HydrophobicContact CG1-CB 4.45Å; V330-V338 HydrophobicContact CG1-CG2 3.83Å; V330-F359 HydrophobicContact CB-CE1 3.97Å; V330-F359 HydrophobicContact CG1-CE1 4.13Å; V330-F359 HydrophobicContact CG1-CZ 4.49Å; V330-F359 HydrophobicContact CG2-CE1 3.9Å; V330-F359 HydrophobicContact CG2-CZ 4.34Å; V330-K369 WeakPolarHBondContact CB-O 3.42Å; V330-K369 PolarHBondContact N-O 3.17Å; V330-K369 PolarHBondContact O-N 2.99Å; V330-A371 HydrophobicContact CG2-CB 3.79Å; V330-I387 HydrophobicContact CG2-CG2 3.94Å; V330-L391 HydrophobicContact CG1-CD1 4.42Å; V330-L391 HydrophobicContact CG1-CD2 4.1Å
331P89.4Confident79.9Confident4 Ų454 Ų543%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-51.3132.8177.3-28.334.7000112.1H333 S334 V335 E368P331-H333 WeakPolarHBondContact CB-CE1 3.35Å; P331-H333 PolarHBondContact O-N 3.2Å; P331-H333 VanDerWaalsContact O-N 3.11Å; P331-S334 WeakPolarHBondContact O-CA 3.42Å; P331-S334 PolarHBondContact O-N 3.03Å; P331-V335 PolarHBondContact O-N 3.37Å; P331-V335 VanDerWaalsContact O-N 3.15Å; P331-E368 HydrophobicContact CG-CG 4.48Å
332R85.3Confident81.9Confident79 Ų7950 Ų5030%0.29831%0.307SS..Hα-helixtrans-53.5-39.1-171.2-79.4-176.2171.7159.912.6113.8V330 S334 V335 D362 G364 G366 P367 K369V330-R332 PolarHBondContact O-N 3.28Å; R332-S334 PolarHBondContact O-N 3.13Å; R332-V335 PolarHBondContact O-N 3.33Å; R332-D362 IonicContact CZ-OD1 2.87Å; R332-D362 IonicContact CZ-OD2 3.15Å; R332-D362 IonicContact NE-OD1 2.7Å; R332-D362 IonicContact NE-OD2 2.75Å; R332-D362 PolarHBondContact NE-OD2 2.78Å; R332-D362 VanDerWaalsContact NH2-CG 3.27Å; R332-D362 IonicContact NH2-OD1 3.4Å; R332-D362 PolarHBondContact NH2-OD1 3.12Å; R332-D362 IonicContact NH2-OD2 3.11Å; R332-D362 PolarHBondContact NH2-OD2 3.13Å; R332-G364 VanDerWaalsContact CZ-C 3.48Å; R332-G364 PolarHBondContact NH1-O 3.21Å; R332-G366 WeakPolarHBondContact CD-O 3.33Å; R332-G366 PolarHBondContact NE-O 2.87Å; R332-G366 PolarHBondContact NH1-O 3.14Å; R332-G366 VanDerWaalsContact NH2-N 3.18Å; R332-G366 PolarHBondContact NH2-O 3.3Å; R332-G366 VanDerWaalsContact NH2-O 3.16Å; R332-P367 PolarHBondContact N-O 3.38Å; R332-K369 HydrophobicContact CG-CB 4.35Å
333H87.4Confident84Confident143 Ų14343.7 Ų43.766%0.66227%0.271SS*.Hα-helixtrans-63.6-27.4177.155.6-100.3000113.2P331P331-H333 WeakPolarHBondContact CB-CE1 3.35Å; P331-H333 PolarHBondContact O-N 3.2Å; P331-H333 VanDerWaalsContact O-N 3.11Å
334S88.8Confident86.1Confident4 Ų447.6 Ų47.63%0.02828%0.276CS..Hα-helixtrans-95.5-15.1-179-58.70000114.2P331 R332 G336 V337 V338P331-S334 WeakPolarHBondContact O-CA 3.42Å; P331-S334 PolarHBondContact O-N 3.03Å; R332-S334 PolarHBondContact O-N 3.13Å; S334-G336 PolarHBondContact O-N 3.37Å; S334-V337 WeakPolarHBondContact O-CA 3.21Å; S334-V337 WeakPolarHBondContact O-CB 3.47Å; S334-V337 PolarHBondContact O-N 2.93Å; S334-V338 PolarHBondContact O-N 2.89Å; S334-V338 VanDerWaalsContact O-N 3.08Å
335V89.4Confident87.7Confident12 Ų1248.3 Ų48.37%0.07327%0.269CS..Hα-helixtrans-51.7-41.1177.51730000111.6V330 P331 R332 V337 V338 I339 F359 K369V330-V335 HydrophobicContact CB-CG2 4.16Å; V330-V335 HydrophobicContact CG1-CB 4.41Å; V330-V335 HydrophobicContact CG1-CG2 3.7Å; P331-V335 PolarHBondContact O-N 3.37Å; P331-V335 VanDerWaalsContact O-N 3.15Å; R332-V335 PolarHBondContact O-N 3.33Å; V335-V337 VanDerWaalsContact C-N 3.26Å; V335-V337 PolarHBondContact O-N 3.03Å; V335-V338 PolarHBondContact O-N 3.29Å; V335-I339 HydrophobicContact CG1-CD1 3.59Å; V335-I339 HydrophobicContact CG1-CG1 4.19Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.04Å; V335-F359 HydrophobicContact CG1-CD1 4.18Å; V335-F359 HydrophobicContact CG1-CE1 3.95Å; V335-F359 HydrophobicContact CG1-CZ 4.27Å; V335-F359 HydrophobicContact CG2-CE1 4.14Å; V335-K369 HydrophobicContact CG1-CD 4.32Å; V335-K369 HydrophobicContact CG2-CB 3.78Å; V335-K369 HydrophobicContact CG2-CD 4.11Å; V335-K369 HydrophobicContact CG2-CG 4.37Å
336G87.4Confident88.7Confident53 Ų5348.7 Ų48.755%0.54627%0.268SS..Hα-helixtrans-61.9-30.5177.700000113.9S334 G340S334-G336 PolarHBondContact O-N 3.37Å; G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 3.06Å
337V89.7Confident89Confident61 Ų6152.9 Ų52.937%0.3728%0.284SS..Hα-helixtrans-78.9-42.3176.4-171.50000110.9S334 V335 G340 L390 L394S334-V337 WeakPolarHBondContact O-CA 3.21Å; S334-V337 WeakPolarHBondContact O-CB 3.47Å; S334-V337 PolarHBondContact O-N 2.93Å; V335-V337 VanDerWaalsContact C-N 3.26Å; V335-V337 PolarHBondContact O-N 3.03Å; V337-G340 PolarHBondContact O-N 3.28Å; V337-L390 HydrophobicContact CG1-CD1 4.13Å; V337-L390 HydrophobicContact CG1-CD2 4.39Å; V337-L390 HydrophobicContact CG1-CG 4.33Å; V337-L394 HydrophobicContact CB-CD1 3.81Å; V337-L394 HydrophobicContact CG1-CD1 3.94Å; V337-L394 HydrophobicContact CG1-CD2 4.28Å; V337-L394 HydrophobicContact CG2-CD1 3.83Å; V337-L394 HydrophobicContact CG2-CD2 4.17Å
338V90.9Very high89.2Confident0 Ų057.4 Ų57.40%030%0.303CS..Hα-helixtrans-64.3-40.1177-177.70000111.6V330 S334 V335 I346 I349 F359 I387 L390 L391V330-V338 HydrophobicContact CG1-CB 4.45Å; V330-V338 HydrophobicContact CG1-CG2 3.83Å; S334-V338 PolarHBondContact O-N 2.89Å; S334-V338 VanDerWaalsContact O-N 3.08Å; V335-V338 PolarHBondContact O-N 3.29Å; V338-I346 PolarHBondContact O-N 2.89Å; V338-I346 VanDerWaalsContact O-N 3.17Å; V338-I349 HydrophobicContact CG1-CD1 4.43Å; V338-F359 HydrophobicContact CB-CZ 4.17Å; V338-F359 HydrophobicContact CG1-CE2 4.39Å; V338-F359 HydrophobicContact CG1-CZ 3.85Å; V338-I387 HydrophobicContact CG1-CD1 4.42Å; V338-I387 HydrophobicContact CG1-CG1 4.08Å; V338-I387 HydrophobicContact CG1-CG2 4.14Å; V338-I387 HydrophobicContact CG2-CG2 4.28Å; V338-L390 HydrophobicContact CB-CD2 4.41Å; V338-L390 HydrophobicContact CG2-CD2 4.09Å; V338-L391 HydrophobicContact CG2-CD2 4.19Å
339I90.4Very high89.3Confident56 Ų5657.1 Ų57.129%0.28730%0.301SS..Hα-helixtrans-68.2-44.7171.4-64.7175.8000110.1V335 G343 M345 I346 F359V335-I339 HydrophobicContact CG1-CD1 3.59Å; V335-I339 HydrophobicContact CG1-CG1 4.19Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.04Å; I339-G343 CarbonylContact O-C 3.59Å; I339-G343 VanDerWaalsContact O-C 3.25Å; I339-G343 WeakPolarHBondContact O-CA 3.46Å; I339-M345 PolarHBondContact O-N 2.84Å; I339-I346 HydrophobicContact CG2-CG2 4.22Å; I339-I346 PolarHBondContact O-N 3.43Å; I339-I346 VanDerWaalsContact O-N 3.07Å; I339-F359 HydrophobicContact CD1-CD2 4Å; I339-F359 HydrophobicContact CD1-CE2 4.08Å; I339-F359 HydrophobicContact CG1-CD2 3.9Å; I339-F359 HydrophobicContact CG1-CE2 3.52Å; I339-F359 HydrophobicContact CG1-CZ 4.17Å
340G88.2Confident89.4Confident16 Ų1656.2 Ų56.217%0.16529%0.291CS..  trans74.5163.7-173.400000112.3G336 V337 S342 G343G336-G340 WeakPolarHBondContact O-CA 3.29Å; G336-G340 PolarHBondContact O-N 3.06Å; V337-G340 PolarHBondContact O-N 3.28Å; G340-S342 PolarHBondContact O-N 2.87Å; G340-G343 PolarHBondContact O-N 3.37Å
341R83.8Confident89.6Confident123 Ų12362.2 Ų62.246%0.46432%0.323SS..G310 helixtrans-59.5123.7178.3-63.7176.5-62.6-176.10.7109.1G343 E344 E460R341-G343 PolarHBondContact O-N 3.05Å; R341-E344 WeakPolarHBondContact O-CB 3.31Å; R341-E344 PolarHBondContact O-N 2.96Å; R341-E460 IonicContact CZ-OE1 3.78Å; R341-E460 IonicContact NH1-OE1 2.88Å; R341-E460 PolarHBondContact NH1-OE1 3.3Å; R341-E460 IonicContact NH2-OE1 3.34Å; R341-E460 PolarHBondContact NH2-OE1 3.28Å; R341-E460 IonicContact NH2-OE2 2.7Å; R341-E460 PolarHBondContact NH2-OE2 3.24Å
342S84.9Confident89.8Confident102 Ų10266.4 Ų66.471%0.71335%0.345SS*.G310 helixtrans63.718.4-176.1-49.40000115.9G340 E344G340-S342 PolarHBondContact O-N 2.87Å; S342-E344 VanDerWaalsContact C-N 3.29Å; S342-E344 PolarHBondContact O-N 3.01Å
343G87.2Confident90Very high12 Ų1263 Ų6312%0.12433%0.333CS..G310 helixtrans74.916.4-178.600000114I339 G340 R341 I346 K347I339-G343 CarbonylContact O-C 3.59Å; I339-G343 VanDerWaalsContact O-C 3.25Å; I339-G343 WeakPolarHBondContact O-CA 3.46Å; G340-G343 PolarHBondContact O-N 3.37Å; R341-G343 PolarHBondContact O-N 3.05Å; G343-I346 VanDerWaalsContact O-CG2 3.26Å; G343-I346 WeakPolarHBondContact O-CG2 3.47Å; G343-K347 VanDerWaalsContact O-CB 3.31Å; G343-K347 WeakPolarHBondContact O-CB 3.36Å; G343-K347 WeakPolarHBondContact O-CD 3.29Å; G343-K347 WeakPolarHBondContact O-CG 3.42Å; G343-K347 PolarHBondContact O-N 3.31Å; G343-K347 VanDerWaalsContact O-N 3.08Å
344E90.6Very high90.1Very high133 Ų13357.6 Ų57.662%0.62132%0.317SS*.Hα-helixtrans-65.1-42.3-177.8-173.5177.5-178.200112.2R341 S342 K347 K348R341-E344 WeakPolarHBondContact O-CB 3.31Å; R341-E344 PolarHBondContact O-N 2.96Å; S342-E344 VanDerWaalsContact C-N 3.29Å; S342-E344 PolarHBondContact O-N 3.01Å; E344-K347 PolarHBondContact O-N 3.25Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.03Å
345M91.6Very high90.4Very high56 Ų5658 Ų5828%0.27632%0.319SS..Hα-helixtrans-70.8-46.2-177.5-169.161.5176.200111.2I339 K347 K348 I349 L390I339-M345 PolarHBondContact O-N 2.84Å; M345-K347 VanDerWaalsContact C-N 3.32Å; M345-K347 PolarHBondContact O-N 3.37Å; M345-K348 WeakPolarHBondContact O-CB 3.08Å; M345-K348 PolarHBondContact O-N 3.33Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.47Å; M345-I349 HydrophobicContact CE-CD1 4.43Å; M345-I349 HydrophobicContact CG-CD1 4.16Å; M345-I349 VanDerWaalsContact O-CG1 3.3Å; M345-I349 WeakPolarHBondContact O-CG1 3.38Å; M345-I349 PolarHBondContact O-N 3.35Å; M345-L390 HydrophobicContact CE-CD1 4.15Å; M345-L390 HydrophobicContact CE-CD2 3.8Å; M345-L390 HydrophobicContact CG-CD2 4.09Å
346I92.4Very high90.5Very high19 Ų1965.8 Ų65.810%0.09735%0.347CS..Hα-helixtrans-62.1-39.1175.1-170.9-177.6000111.8V338 I339 G343 K348 I349 Q350 I357 F359V338-I346 PolarHBondContact O-N 2.89Å; V338-I346 VanDerWaalsContact O-N 3.17Å; I339-I346 HydrophobicContact CG2-CG2 4.22Å; I339-I346 PolarHBondContact O-N 3.43Å; I339-I346 VanDerWaalsContact O-N 3.07Å; G343-I346 VanDerWaalsContact O-CG2 3.26Å; G343-I346 WeakPolarHBondContact O-CG2 3.47Å; I346-K348 VanDerWaalsContact C-N 3.34Å; I346-K348 PolarHBondContact O-N 3.44Å; I346-I349 PolarHBondContact O-N 2.95Å; I346-Q350 HydrophobicContact CG1-CG 4.39Å; I346-Q350 WeakPolarHBondContact O-CB 3.14Å; I346-Q350 WeakPolarHBondContact O-CG 3.4Å; I346-Q350 PolarHBondContact O-N 3.09Å; I346-I357 HydrophobicContact CD1-CB 3.95Å; I346-I357 HydrophobicContact CD1-CG2 3.93Å; I346-I357 WeakPolarHBondContact CD1-O 3.1Å; I346-I357 HydrophobicContact CG1-CB 3.95Å; I346-I357 HydrophobicContact CG1-CD1 4.35Å; I346-I357 HydrophobicContact CG1-CG2 4.19Å; I346-F359 HydrophobicContact CD1-CD2 4.01Å; I346-F359 HydrophobicContact CD1-CE2 3.84Å
347K93.2Very high90.7Very high137 Ų13763.5 Ų63.560%0.59632%0.323SS*.Hα-helixtrans-62.9-40.1173.8-78.3171.6-178.9172.90112.1G343 E344 M345 Q350 N351G343-K347 VanDerWaalsContact O-CB 3.31Å; G343-K347 WeakPolarHBondContact O-CB 3.36Å; G343-K347 WeakPolarHBondContact O-CD 3.29Å; G343-K347 WeakPolarHBondContact O-CG 3.42Å; G343-K347 PolarHBondContact O-N 3.31Å; G343-K347 VanDerWaalsContact O-N 3.08Å; E344-K347 PolarHBondContact O-N 3.25Å; M345-K347 VanDerWaalsContact C-N 3.32Å; M345-K347 PolarHBondContact O-N 3.37Å; K347-Q350 PolarHBondContact O-N 3.24Å; K347-N351 VanDerWaalsContact O-CB 3.3Å; K347-N351 WeakPolarHBondContact O-CB 3.18Å; K347-N351 PolarHBondContact O-N 3.13Å
348K93.3Very high90.7Very high117 Ų11766.2 Ų66.251%0.50933%0.331SS..Hα-helixtrans-61.3-50.8174.1-174.5-172.3172.6-163.10110.9E344 M345 I346 Q350 N351 D352E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.03Å; M345-K348 WeakPolarHBondContact O-CB 3.08Å; M345-K348 PolarHBondContact O-N 3.33Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.47Å; I346-K348 VanDerWaalsContact C-N 3.34Å; I346-K348 PolarHBondContact O-N 3.44Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.03Å; K348-N351 PolarHBondContact O-N 3.34Å; K348-N351 VanDerWaalsContact O-N 3.16Å; K348-D352 WeakPolarHBondContact CE-OD2 3.42Å; K348-D352 WeakPolarHBondContact CG-OD2 3.4Å; K348-D352 WeakPolarHBondContact O-CB 3.46Å; K348-D352 VanDerWaalsContact O-CG 3.23Å; K348-D352 PolarHBondContact O-N 3.45Å
349I92.3Very high90.6Very high2 Ų267.3 Ų67.31%0.0134%0.336CS..Hα-helixtrans-60.5-42.6178.9-58.6165.9000111V338 M345 I346 N351 A353 I357 A383 I386 I387V338-I349 HydrophobicContact CG1-CD1 4.43Å; M345-I349 HydrophobicContact CE-CD1 4.43Å; M345-I349 HydrophobicContact CG-CD1 4.16Å; M345-I349 VanDerWaalsContact O-CG1 3.3Å; M345-I349 WeakPolarHBondContact O-CG1 3.38Å; M345-I349 PolarHBondContact O-N 3.35Å; I346-I349 PolarHBondContact O-N 2.95Å; I349-N351 PolarHBondContact O-N 3.02Å; I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 2.95Å; I349-I357 HydrophobicContact CB-CD1 4.11Å; I349-I357 HydrophobicContact CG2-CD1 3.63Å; I349-A383 HydrophobicContact CG2-CB 4.32Å; I349-I386 HydrophobicContact CD1-CG2 4.21Å; I349-I386 HydrophobicContact CG1-CG2 3.82Å; I349-I386 HydrophobicContact CG2-CB 4.25Å; I349-I386 HydrophobicContact CG2-CD1 4.48Å; I349-I386 HydrophobicContact CG2-CG2 4.09Å; I349-I387 HydrophobicContact CD1-CG1 4.33Å; I349-I387 HydrophobicContact CG2-CG1 4.46Å
350Q92.4Very high90.3Very high51 Ų5168.5 Ų68.524%0.23834%0.339CS..Hα-helixtrans-59-43.9174.5-77.3177.210.600112.5I346 K347 K348 G354 V355 I357I346-Q350 HydrophobicContact CG1-CG 4.39Å; I346-Q350 WeakPolarHBondContact O-CB 3.14Å; I346-Q350 WeakPolarHBondContact O-CG 3.4Å; I346-Q350 PolarHBondContact O-N 3.09Å; K347-Q350 PolarHBondContact O-N 3.24Å; K348-Q350 VanDerWaalsContact C-N 3.33Å; K348-Q350 PolarHBondContact O-N 3.03Å; Q350-G354 CarbonylContact O-C 3.23Å; Q350-G354 WeakPolarHBondContact O-CA 3.46Å; Q350-G354 PolarHBondContact O-N 3.39Å; Q350-V355 CarbonylContact C-O 3.55Å; Q350-V355 VanDerWaalsContact CA-O 3.32Å; Q350-V355 WeakPolarHBondContact CA-O 3.48Å; Q350-V355 WeakPolarHBondContact CB-O 3.43Å; Q350-V355 WeakPolarHBondContact CG-O 3.3Å; Q350-V355 PolarHBondContact O-N 3.38Å; Q350-I357 HydrophobicContact CG-CB 4Å; Q350-I357 HydrophobicContact CG-CD1 3.92Å; Q350-I357 HydrophobicContact CG-CG1 3.81Å; Q350-I357 PolarHBondContact NE2-O 3.39Å
351N93.8Very high89.5Confident127 Ų12777 Ų7768%0.67938%0.375SS*.Hα-helixtrans-72.3-47.8-179.5-176.170.7000112.3K347 K348 I349 G354K347-N351 VanDerWaalsContact O-CB 3.3Å; K347-N351 WeakPolarHBondContact O-CB 3.18Å; K347-N351 PolarHBondContact O-N 3.13Å; K348-N351 PolarHBondContact O-N 3.34Å; K348-N351 VanDerWaalsContact O-N 3.16Å; I349-N351 PolarHBondContact O-N 3.02Å; N351-G354 PolarHBondContact O-N 3.02Å
352D92.5Very high88.9Confident92 Ų9273.5 Ų73.549%0.49237%0.365SS..Hα-helixtrans-65.7-41.2-176.3-67.6-0.7000111.3K348K348-D352 WeakPolarHBondContact CE-OD2 3.42Å; K348-D352 WeakPolarHBondContact CG-OD2 3.4Å; K348-D352 WeakPolarHBondContact O-CB 3.46Å; K348-D352 VanDerWaalsContact O-CG 3.23Å; K348-D352 PolarHBondContact O-N 3.45Å
353A90.4Very high88Confident6 Ų675.6 Ų75.65%0.0537%0.368CS..Hα-helixtrans-86.5-14.3174.700000113.8I349 V355 R379 A383 I386I349-A353 WeakPolarHBondContact O-CB 3.48Å; I349-A353 PolarHBondContact O-N 2.95Å; A353-V355 HydrophobicContact CB-CG1 4.45Å; A353-V355 HydrophobicContact CB-CG2 4.1Å; A353-R379 WeakPolarHBondContact O-CB 3.35Å; A353-R379 VanDerWaalsContact O-CD 3.29Å; A353-R379 WeakPolarHBondContact O-CD 3.31Å; A353-R379 WeakPolarHBondContact O-CG 3.4Å; A353-A383 HydrophobicContact CB-CB 3.71Å; A353-I386 HydrophobicContact CB-CD1 4.45Å
354G89.7Confident87Confident31 Ų3177.7 Ų77.732%0.3239%0.389SS..THydrogen-bonded Turntrans65.547.3-177.900000113.7Q350 N351 R379Q350-G354 CarbonylContact O-C 3.23Å; Q350-G354 WeakPolarHBondContact O-CA 3.46Å; Q350-G354 PolarHBondContact O-N 3.39Å; N351-G354 PolarHBondContact O-N 3.02Å; G354-R379 PolarHBondContact O-NH1 3.49Å
355V93.6Very high86.1Confident11 Ų1177.5 Ų77.57%0.06740%0.397CS..  trans-133.3167.9-178.7-60.20000111.2Q350 A353 I357 I373 M374 R379 A383Q350-V355 CarbonylContact C-O 3.55Å; Q350-V355 VanDerWaalsContact CA-O 3.32Å; Q350-V355 WeakPolarHBondContact CA-O 3.48Å; Q350-V355 WeakPolarHBondContact CB-O 3.43Å; Q350-V355 WeakPolarHBondContact CG-O 3.3Å; Q350-V355 PolarHBondContact O-N 3.38Å; A353-V355 HydrophobicContact CB-CG1 4.45Å; A353-V355 HydrophobicContact CB-CG2 4.1Å; V355-I357 HydrophobicContact CG2-CD1 4.27Å; V355-I357 HydrophobicContact CG2-CG1 4.01Å; V355-I373 HydrophobicContact CB-CG2 3.99Å; V355-I373 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG2-CG2 3.8Å; V355-M374 WeakPolarHBondContact CB-O 3.36Å; V355-R379 HydrophobicContact CG1-CB 3.6Å; V355-A383 HydrophobicContact CG2-CB 3.62Å
356R91.9Very high85.2Confident176 Ų17676 Ų7666%0.66440%0.397SS*.EExtended strand (participates in β ladder)trans-106135.9168-67.1173.367.2-173.70.2109.1I373 M374R356-I373 CarbonylContact O-C 3.55Å; R356-I373 WeakPolarHBondContact O-CA 3.4Å; R356-M374 HydrophobicContact CB-CB 4.4Å; R356-M374 HydrophobicContact CB-CE 4.14Å; R356-M374 PolarHBondContact N-O 3.14Å; R356-M374 PolarHBondContact O-N 3.49Å
357I91.8Very high84.8Confident6 Ų680.2 Ų80.23%0.03143%0.425CS..EExtended strand (participates in β ladder)trans-121.6123.1179.6-56.3166.4000108.5I346 I349 Q350 V355 A371 H372 I373 I387I346-I357 HydrophobicContact CD1-CB 3.95Å; I346-I357 HydrophobicContact CD1-CG2 3.93Å; I346-I357 WeakPolarHBondContact CD1-O 3.1Å; I346-I357 HydrophobicContact CG1-CB 3.95Å; I346-I357 HydrophobicContact CG1-CD1 4.35Å; I346-I357 HydrophobicContact CG1-CG2 4.19Å; I349-I357 HydrophobicContact CB-CD1 4.11Å; I349-I357 HydrophobicContact CG2-CD1 3.63Å; Q350-I357 HydrophobicContact CG-CB 4Å; Q350-I357 HydrophobicContact CG-CD1 3.92Å; Q350-I357 HydrophobicContact CG-CG1 3.81Å; Q350-I357 PolarHBondContact NE2-O 3.39Å; V355-I357 HydrophobicContact CG2-CD1 4.27Å; V355-I357 HydrophobicContact CG2-CG1 4.01Å; I357-A371 HydrophobicContact CG2-CB 4.25Å; I357-H372 CarbonylContact C-O 3.56Å; I357-H372 WeakPolarHBondContact CA-O 3.44Å; I357-I373 HydrophobicContact CG1-CG1 4.26Å; I357-I373 HydrophobicContact CG1-CG2 4.2Å; I357-I373 HydrophobicContact CG2-CG1 4.45Å; I357-I387 HydrophobicContact CD1-CD1 4.22Å
358Q89.9Confident84.4Confident118 Ų11877.8 Ų77.855%0.55142%0.416SS*.EExtended strand (participates in β ladder)trans-125.2113.3-178.1-178.661.549.600109.4K360 H372 M374Q358-K360 PolarHBondContact O-N 3.01Å; Q358-H372 PolarHBondContact N-O 3.33Å; Q358-H372 WeakPolarHBondContact O-CA 3.34Å; Q358-H372 WeakPolarHBondContact O-CB 3.46Å; Q358-H372 PolarHBondContact O-N 3.45Å; Q358-M374 HydrophobicContact CB-CE 3.73Å
359F89.9Confident84.2Confident23 Ų2375 Ų7510%0.10140%0.404CS..EExtended strand (participates in β ladder)trans-69.8128.7169.2-75.5-89.4000109.4V330 V335 V338 I339 I346 K369 I370 A371V330-F359 HydrophobicContact CB-CE1 3.97Å; V330-F359 HydrophobicContact CG1-CE1 4.13Å; V330-F359 HydrophobicContact CG1-CZ 4.49Å; V330-F359 HydrophobicContact CG2-CE1 3.9Å; V330-F359 HydrophobicContact CG2-CZ 4.34Å; V335-F359 HydrophobicContact CG1-CD1 4.18Å; V335-F359 HydrophobicContact CG1-CE1 3.95Å; V335-F359 HydrophobicContact CG1-CZ 4.27Å; V335-F359 HydrophobicContact CG2-CE1 4.14Å; V338-F359 HydrophobicContact CB-CZ 4.17Å; V338-F359 HydrophobicContact CG1-CE2 4.39Å; V338-F359 HydrophobicContact CG1-CZ 3.85Å; I339-F359 HydrophobicContact CD1-CD2 4Å; I339-F359 HydrophobicContact CD1-CE2 4.08Å; I339-F359 HydrophobicContact CG1-CD2 3.9Å; I339-F359 HydrophobicContact CG1-CE2 3.52Å; I339-F359 HydrophobicContact CG1-CZ 4.17Å; I346-F359 HydrophobicContact CD1-CD2 4.01Å; I346-F359 HydrophobicContact CD1-CE2 3.84Å; F359-K369 HydrophobicContact CD1-CD 4.43Å; F359-K369 HydrophobicContact CD1-CG 4.23Å; F359-I370 WeakPolarHBondContact CA-O 3.39Å; F359-A371 HydrophobicContact CD1-CB 3.91Å; F359-A371 HydrophobicContact CE1-CB 3.62Å; F359-A371 HydrophobicContact CE2-CB 4.44Å; F359-A371 HydrophobicContact CG-CB 4.47Å; F359-A371 HydrophobicContact CZ-CB 3.91Å
360K83Confident84Confident80 Ų8077.3 Ų77.335%0.34842%0.416SS..PPolyproline II helixtrans-66.9153.3171.4-76.5174173.4164.10109.8D327 Q358 K369 I370D327-K360 IonicContact OD1-NZ 3.88Å; D327-K360 PolarHBondContact OD1-NZ 2.93Å; D327-K360 IonicContact OD2-NZ 2.67Å; D327-K360 PolarHBondContact OD2-NZ 3.21Å; Q358-K360 PolarHBondContact O-N 3.01Å; K360-K369 WeakPolarHBondContact O-CE 3.44Å; K360-I370 HydrophobicContact CB-CB 4.48Å; K360-I370 HydrophobicContact CD-CB 4.17Å; K360-I370 HydrophobicContact CD-CG2 4.02Å; K360-I370 PolarHBondContact N-O 3Å
361Q72.2Confident83.9Confident196 Ų19674.9 Ų74.992%0.91640%0.404SS*.PPolyproline II helixtrans-63.4145.4161.2-76.7175.2-24.900108
362D70.9Confident83.8Confident49 Ų4970.4 Ų70.426%0.26238%0.379SS..  trans-137.7125-162.4162.128.1000107.1R332 G364 K369R332-D362 IonicContact CZ-OD1 2.87Å; R332-D362 IonicContact CZ-OD2 3.15Å; R332-D362 IonicContact NE-OD1 2.7Å; R332-D362 IonicContact NE-OD2 2.75Å; R332-D362 PolarHBondContact NE-OD2 2.78Å; R332-D362 VanDerWaalsContact NH2-CG 3.27Å; R332-D362 IonicContact NH2-OD1 3.4Å; R332-D362 PolarHBondContact NH2-OD1 3.12Å; R332-D362 IonicContact NH2-OD2 3.11Å; R332-D362 PolarHBondContact NH2-OD2 3.13Å; D362-G364 PolarHBondContact O-N 3.2Å; D362-K369 HydrophobicContact CB-CD 3.96Å; D362-K369 HydrophobicContact CB-CG 3.8Å
363D66.1Low83.8Confident146 Ų14666 Ų6678%0.78136%0.356SS*.  trans-74.214-160.7-60.3-49.6000114.5T365D363-T365 PolarHBondContact O-N 2.94Å; D363-T365 VanDerWaalsContact O-N 3.12Å
364G65.6Low83.8Confident55 Ų5568.3 Ų68.357%0.56737%0.366SS*.SBendtrans75.2-5.2177.900000114.7R332 D362R332-G364 VanDerWaalsContact CZ-C 3.48Å; R332-G364 PolarHBondContact NH1-O 3.21Å; D362-G364 PolarHBondContact O-N 3.2Å
365T72.1Confident83.7Confident129 Ų12968.2 Ų68.279%0.79137%0.365SS*.  trans-96.8-44.3-176.153.20000116.2D363D363-T365 PolarHBondContact O-N 2.94Å; D363-T365 VanDerWaalsContact O-N 3.12Å
366G72.2Confident83.5Confident25 Ų2570.6 Ų70.626%0.25838%0.381SS..SBendtrans-73.3157.1-175.400000116.1R332 E368R332-G366 WeakPolarHBondContact CD-O 3.33Å; R332-G366 PolarHBondContact NE-O 2.87Å; R332-G366 PolarHBondContact NH1-O 3.14Å; R332-G366 VanDerWaalsContact NH2-N 3.18Å; R332-G366 PolarHBondContact NH2-O 3.3Å; R332-G366 VanDerWaalsContact NH2-O 3.16Å; G366-E368 PolarHBondContact O-N 3.04Å
367P83.5Confident83.1Confident108 Ų10866.5 Ų66.570%0.70138%0.377SS*.SBendtrans-72.4-15.2172.927.8-32.3000113.7R332R332-P367 PolarHBondContact N-O 3.38Å
368E85.6Confident83Confident86 Ų8672.2 Ų72.240%0.40241%0.407SS..EExtended strand (participates in β ladder)trans-128157.3-170-60.4-175.7154.600111.2P329 P331 G366P329-E368 HydrophobicContact CB-CB 4.45Å; P329-E368 WeakPolarHBondContact CB-OE2 3.5Å; P331-E368 HydrophobicContact CG-CG 4.48Å; G366-E368 PolarHBondContact O-N 3.04Å
369K88.3Confident83.1Confident58 Ų5872.8 Ų72.825%0.25241%0.405SS..EExtended strand (participates in β ladder)trans-130.4130.6-176.5-173166.5-1711720109.7V330 R332 V335 F359 K360 D362V330-K369 WeakPolarHBondContact CB-O 3.42Å; V330-K369 PolarHBondContact N-O 3.17Å; V330-K369 PolarHBondContact O-N 2.99Å; R332-K369 HydrophobicContact CG-CB 4.35Å; V335-K369 HydrophobicContact CG1-CD 4.32Å; V335-K369 HydrophobicContact CG2-CB 3.78Å; V335-K369 HydrophobicContact CG2-CD 4.11Å; V335-K369 HydrophobicContact CG2-CG 4.37Å; F359-K369 HydrophobicContact CD1-CD 4.43Å; F359-K369 HydrophobicContact CD1-CG 4.23Å; K360-K369 WeakPolarHBondContact O-CE 3.44Å; D362-K369 HydrophobicContact CB-CD 3.96Å; D362-K369 HydrophobicContact CB-CG 3.8Å
370I88.6Confident83.2Confident50 Ų5071.7 Ų71.726%0.25640%0.4SS..EExtended strand (participates in β ladder)trans-81.2124.5-172.4-56.8175000111.2D327 F359 K360D327-I370 HydrophobicContact CB-CG2 3.64Å; D327-I370 WeakPolarHBondContact OD1-CG2 2.94Å; F359-I370 WeakPolarHBondContact CA-O 3.39Å; K360-I370 HydrophobicContact CB-CB 4.48Å; K360-I370 HydrophobicContact CD-CB 4.17Å; K360-I370 HydrophobicContact CD-CG2 4.02Å; K360-I370 PolarHBondContact N-O 3Å
371A90.4Very high83.5Confident0 Ų072.2 Ų72.20%040%0.403CS..EExtended strand (participates in β ladder)trans-99.2108.1169.700000110.1V328 V330 I357 F359V328-A371 PolarHBondContact N-O 3.46Å; V328-A371 PolarHBondContact O-N 2.88Å; V330-A371 HydrophobicContact CG2-CB 3.79Å; I357-A371 HydrophobicContact CG2-CB 4.25Å; F359-A371 HydrophobicContact CD1-CB 3.91Å; F359-A371 HydrophobicContact CE1-CB 3.62Å; F359-A371 HydrophobicContact CE2-CB 4.44Å; F359-A371 HydrophobicContact CG-CB 4.47Å; F359-A371 HydrophobicContact CZ-CB 3.91Å
372H91.5Very high84.5Confident33 Ų3367.3 Ų67.315%0.15338%0.38CS..EExtended strand (participates in β ladder)trans-85.2111.3178.5-170.363.8000110.7D327 I357 Q358 M374D327-H372 WeakPolarHBondContact OD1-CB 3.12Å; D327-H372 IonicContact OD1-CE1 3.38Å; D327-H372 IonicContact OD1-CG 3.15Å; D327-H372 IonicContact OD1-ND1 2.69Å; D327-H372 PolarHBondContact OD1-ND1 3.46Å; I357-H372 CarbonylContact C-O 3.56Å; I357-H372 WeakPolarHBondContact CA-O 3.44Å; Q358-H372 PolarHBondContact N-O 3.33Å; Q358-H372 WeakPolarHBondContact O-CA 3.34Å; Q358-H372 WeakPolarHBondContact O-CB 3.46Å; Q358-H372 PolarHBondContact O-N 3.45Å; H372-M374 WeakPolarHBondContact CD2-CG 3.47Å; H372-M374 WeakPolarHBondContact NE2-CG 3.5Å
373I92.5Very high85.6Confident0 Ų065 Ų650%037%0.368CS..EExtended strand (participates in β ladder)trans-98.1108.8-178.2-50.1-177.8000109.1G325 I326 V328 V355 R356 I357 C380 A383 A384 I387G325-I373 CarbonylContact C-O 3.58Å; G325-I373 WeakPolarHBondContact CA-O 3.43Å; I326-I373 PolarHBondContact N-O 3.49Å; I326-I373 PolarHBondContact O-N 3.13Å; V328-I373 HydrophobicContact CB-CD1 4.42Å; V328-I373 HydrophobicContact CG2-CD1 3.56Å; V328-I373 HydrophobicContact CG2-CG1 4.25Å; V355-I373 HydrophobicContact CB-CG2 3.99Å; V355-I373 HydrophobicContact CG1-CG2 4.29Å; V355-I373 HydrophobicContact CG2-CG2 3.8Å; R356-I373 CarbonylContact O-C 3.55Å; R356-I373 WeakPolarHBondContact O-CA 3.4Å; I357-I373 HydrophobicContact CG1-CG1 4.26Å; I357-I373 HydrophobicContact CG1-CG2 4.2Å; I357-I373 HydrophobicContact CG2-CG1 4.45Å; I373-C380 HydrophobicContact CG2-CB 3.93Å; I373-A383 HydrophobicContact CD1-CB 4.14Å; I373-A383 HydrophobicContact CG2-CB 3.92Å; I373-A384 HydrophobicContact CD1-CB 3.95Å; I373-I387 HydrophobicContact CD1-CD1 3.85Å; I373-I387 HydrophobicContact CG1-CD1 4.43Å
374M90.7Very high86.9Confident55 Ų5558.7 Ų58.727%0.27134%0.336SS..EExtended strand (participates in β ladder)trans-101.6134.8179.5-63.1162.9-78.400112.1G324 V355 R356 Q358 H372G324-M374 CarbonylContact O-C 3.54Å; G324-M374 WeakPolarHBondContact O-CA 3.46Å; V355-M374 WeakPolarHBondContact CB-O 3.36Å; R356-M374 HydrophobicContact CB-CB 4.4Å; R356-M374 HydrophobicContact CB-CE 4.14Å; R356-M374 PolarHBondContact N-O 3.14Å; R356-M374 PolarHBondContact O-N 3.49Å; Q358-M374 HydrophobicContact CB-CE 3.73Å; H372-M374 WeakPolarHBondContact CD2-CG 3.47Å; H372-M374 WeakPolarHBondContact NE2-CG 3.5Å
375G87.5Confident88.2Confident28 Ų2862.8 Ų62.829%0.28934%0.335SS..SBendtrans154.4-168179.600000113.5G324 C380G324-G375 PolarHBondContact O-N 3.18Å; G375-C380 VanDerWaalsContact CA-SG 3.58Å; G375-C380 PolarHBondContact N-SG 3.21Å; G375-C380 PolarHBondContact O-SG 3.35Å; G375-C380 VanDerWaalsContact O-SG 3.38Å
376P88.3Confident89.2Confident62 Ų6258.6 Ų58.640%0.40331%0.307SS..  trans-59.8143.4172.3-23.936.1000111.3D378 R379 C380P376-D378 PolarHBondContact O-N 3.06Å; P376-R379 HydrophobicContact CB-CB 4.32Å; P376-R379 HydrophobicContact CB-CG 4.29Å; P376-R379 WeakPolarHBondContact O-CB 3.38Å; P376-R379 PolarHBondContact O-N 2.57Å; P376-R379 VanDerWaalsContact O-N 3.1Å; P376-C380 PolarHBondContact O-N 2.95Å; P376-C380 PolarHBondContact O-SG 3.43Å
377P84.9Confident90.1Very high89 Ų8957.4 Ų57.458%0.57830%0.295SS*.Hα-helixtrans-58.1-47.3-17121.7-32.5000112.8R379 C380 E381P377-R379 PolarHBondContact O-N 3.23Å; P377-C380 PolarHBondContact O-N 3.37Å; P377-C380 VanDerWaalsContact O-N 3.12Å; P377-E381 PolarHBondContact O-N 3.35Å
378D88.3Confident90.5Very high126 Ų12655.5 Ų55.567%0.67428%0.278SS*.Hα-helixtrans-59.9-35.1179.9-40.6-91.3000112.3P376 H382P376-D378 PolarHBondContact O-N 3.06Å; D378-H382 PolarHBondContact O-N 3.42Å; D378-H382 VanDerWaalsContact O-N 3.14Å
379R92.5Very high90.8Very high131 Ų13156 Ų5649%0.49428%0.284SS..Hα-helixtrans-77.4-36.6178.5-69.8-174179.4-157-2.6112.1A353 G354 V355 P376 P377 E381 H382 A383A353-R379 WeakPolarHBondContact O-CB 3.35Å; A353-R379 VanDerWaalsContact O-CD 3.29Å; A353-R379 WeakPolarHBondContact O-CD 3.31Å; A353-R379 WeakPolarHBondContact O-CG 3.4Å; G354-R379 PolarHBondContact O-NH1 3.49Å; V355-R379 HydrophobicContact CG1-CB 3.6Å; P376-R379 HydrophobicContact CB-CB 4.32Å; P376-R379 HydrophobicContact CB-CG 4.29Å; P376-R379 WeakPolarHBondContact O-CB 3.38Å; P376-R379 PolarHBondContact O-N 2.57Å; P376-R379 VanDerWaalsContact O-N 3.1Å; P377-R379 PolarHBondContact O-N 3.23Å; R379-E381 VanDerWaalsContact C-N 3.34Å; R379-H382 PolarHBondContact O-N 2.9Å; R379-A383 PolarHBondContact O-N 3.36Å
380C91.5Very high90.9Very high0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-65.3-40.2174.8-630000111I326 I373 G375 P376 P377 A383 A384I326-C380 HydrophobicContact CB-CB 4.35Å; I326-C380 HydrophobicContact CD1-CB 3.46Å; I326-C380 VanDerWaalsContact CD1-CB 3.46Å; I326-C380 HydrophobicContact CG1-CB 3.73Å; I373-C380 HydrophobicContact CG2-CB 3.93Å; G375-C380 VanDerWaalsContact CA-SG 3.58Å; G375-C380 PolarHBondContact N-SG 3.21Å; G375-C380 PolarHBondContact O-SG 3.35Å; G375-C380 VanDerWaalsContact O-SG 3.38Å; P376-C380 PolarHBondContact O-N 2.95Å; P376-C380 PolarHBondContact O-SG 3.43Å; P377-C380 PolarHBondContact O-N 3.37Å; P377-C380 VanDerWaalsContact O-N 3.12Å; C380-A383 PolarHBondContact O-N 2.91Å; C380-A384 WeakPolarHBondContact O-CB 3.46Å; C380-A384 PolarHBondContact O-N 3.23Å
381E90.6Very high90.9Very high91 Ų9152.6 Ų52.643%0.42527%0.269SS..Hα-helixtrans-62.6-42.5171.7-72.8-170-163.300112.5I326 P377 R379 A383 A384 R385I326-E381 HydrophobicContact CD1-CG 3.96Å; P377-E381 PolarHBondContact O-N 3.35Å; R379-E381 VanDerWaalsContact C-N 3.34Å; E381-A383 PolarHBondContact O-N 2.68Å; E381-A384 PolarHBondContact O-N 2.7Å; E381-R385 WeakPolarHBondContact O-CG 3.41Å; E381-R385 PolarHBondContact O-N 3.49Å; E381-R385 IonicContact OE2-NH2 2.87Å; E381-R385 PolarHBondContact OE2-NH2 3.34Å
382H93.2Very high90.8Very high93 Ų9358 Ų5843%0.43129%0.294SS..Hα-helixtrans-61-44.7176.4-173.455.8000111.9D378 R379 R385 I386D378-H382 PolarHBondContact O-N 3.42Å; D378-H382 VanDerWaalsContact O-N 3.14Å; R379-H382 PolarHBondContact O-N 2.9Å; H382-R385 PolarHBondContact O-N 3.41Å; H382-I386 WeakPolarHBondContact O-CG1 3.15Å; H382-I386 PolarHBondContact O-N 2.78Å; H382-I386 VanDerWaalsContact O-N 3.11Å
383A93.1Very high90.5Very high0 Ų059.8 Ų59.80%031%0.31CS..Hα-helixtrans-63.2-40.3174.200000112.8I349 A353 V355 I373 R379 C380 E381 R385 I386 I387I349-A383 HydrophobicContact CG2-CB 4.32Å; A353-A383 HydrophobicContact CB-CB 3.71Å; V355-A383 HydrophobicContact CG2-CB 3.62Å; I373-A383 HydrophobicContact CD1-CB 4.14Å; I373-A383 HydrophobicContact CG2-CB 3.92Å; R379-A383 PolarHBondContact O-N 3.36Å; C380-A383 PolarHBondContact O-N 2.91Å; E381-A383 PolarHBondContact O-N 2.68Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 3.25Å; A383-I386 PolarHBondContact O-N 3.16Å; A383-I387 WeakPolarHBondContact O-CG1 3.43Å; A383-I387 PolarHBondContact O-N 2.88Å
384A93Very high89.8Confident14 Ų1463.3 Ų63.312%0.11633%0.329CS..Hα-helixtrans-61.7-38.1176.200000111.8V328 I373 C380 E381 N388V328-A384 HydrophobicContact CG2-CB 3.73Å; I373-A384 HydrophobicContact CD1-CB 3.95Å; C380-A384 WeakPolarHBondContact O-CB 3.46Å; C380-A384 PolarHBondContact O-N 3.23Å; E381-A384 PolarHBondContact O-N 2.7Å; A384-N388 WeakPolarHBondContact O-CB 3.35Å; A384-N388 PolarHBondContact O-N 3.34Å; A384-N388 PolarHBondContact O-ND2 3.11Å
385R93.7Very high88.8Confident141 Ų14168.9 Ų68.953%0.53235%0.346SS..Hα-helixtrans-63.9-48.7173.3-66.7171.3-150.6173.48.5111.2E381 H382 A383 I387 N388 D389E381-R385 WeakPolarHBondContact O-CG 3.41Å; E381-R385 PolarHBondContact O-N 3.49Å; E381-R385 IonicContact OE2-NH2 2.87Å; E381-R385 PolarHBondContact OE2-NH2 3.34Å; H382-R385 PolarHBondContact O-N 3.41Å; A383-R385 VanDerWaalsContact C-N 3.3Å; A383-R385 PolarHBondContact O-N 3.25Å; R385-I387 VanDerWaalsContact C-N 3.29Å; R385-I387 PolarHBondContact O-N 2.78Å; R385-N388 CarbonylContact O-C 3.25Å; R385-N388 PolarHBondContact O-N 2.81Å; R385-D389 VanDerWaalsContact O-CG 3.26Å; R385-D389 PolarHBondContact O-N 3.41Å
386I93Very high87.4Confident41 Ų4171.9 Ų71.921%0.2136%0.363CS..Hα-helixtrans-57.8-40.2177.9-61.9163.3000112I349 A353 H382 A383 L390I349-I386 HydrophobicContact CD1-CG2 4.21Å; I349-I386 HydrophobicContact CG1-CG2 3.82Å; I349-I386 HydrophobicContact CG2-CB 4.25Å; I349-I386 HydrophobicContact CG2-CD1 4.48Å; I349-I386 HydrophobicContact CG2-CG2 4.09Å; A353-I386 HydrophobicContact CB-CD1 4.45Å; H382-I386 WeakPolarHBondContact O-CG1 3.15Å; H382-I386 PolarHBondContact O-N 2.78Å; H382-I386 VanDerWaalsContact O-N 3.11Å; A383-I386 PolarHBondContact O-N 3.16Å; I386-L390 WeakPolarHBondContact O-CB 3.5Å; I386-L390 PolarHBondContact O-N 3.34Å; I386-L390 VanDerWaalsContact O-N 3.11Å
387I92.4Very high85.6Confident0 Ų070.9 Ų70.90%036%0.364CS..Hα-helixtrans-65.4-45.5174.7-65.6173000110.7V328 V330 V338 I349 I357 I373 A383 R385 L390 L391V328-I387 HydrophobicContact CG1-CG2 4.15Å; V330-I387 HydrophobicContact CG2-CG2 3.94Å; V338-I387 HydrophobicContact CG1-CD1 4.42Å; V338-I387 HydrophobicContact CG1-CG1 4.08Å; V338-I387 HydrophobicContact CG1-CG2 4.14Å; V338-I387 HydrophobicContact CG2-CG2 4.28Å; I349-I387 HydrophobicContact CD1-CG1 4.33Å; I349-I387 HydrophobicContact CG2-CG1 4.46Å; I357-I387 HydrophobicContact CD1-CD1 4.22Å; I373-I387 HydrophobicContact CD1-CD1 3.85Å; I373-I387 HydrophobicContact CG1-CD1 4.43Å; A383-I387 WeakPolarHBondContact O-CG1 3.43Å; A383-I387 PolarHBondContact O-N 2.88Å; R385-I387 VanDerWaalsContact C-N 3.29Å; R385-I387 PolarHBondContact O-N 2.78Å; I387-L390 PolarHBondContact O-N 2.73Å; I387-L391 HydrophobicContact CG2-CD1 4.14Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.48Å
388N92Very high83.8Confident67 Ų6772.6 Ų72.636%0.35838%0.376SS..Hα-helixtrans-64.8-39.8179.1-85-75.8000112.8A384 R385 L390 L391 Q392A384-N388 WeakPolarHBondContact O-CB 3.35Å; A384-N388 PolarHBondContact O-N 3.34Å; A384-N388 PolarHBondContact O-ND2 3.11Å; R385-N388 CarbonylContact O-C 3.25Å; R385-N388 PolarHBondContact O-N 2.81Å; N388-L390 VanDerWaalsContact C-N 3.34Å; N388-L391 CarbonylContact O-C 3.56Å; N388-L391 WeakPolarHBondContact O-CB 3.2Å; N388-L391 PolarHBondContact O-N 3.15Å; N388-Q392 WeakPolarHBondContact O-CB 3.4Å; N388-Q392 VanDerWaalsContact O-CG 3.31Å; N388-Q392 WeakPolarHBondContact O-CG 3.3Å; N388-Q392 PolarHBondContact O-N 2.87Å
389D91.6Very high81.7Confident96 Ų9672.5 Ų72.551%0.51338%0.382SS..Hα-helixtrans-64-41.4176.1-64.7-19.9000110.8R385 L391 Q392 S393R385-D389 VanDerWaalsContact O-CG 3.26Å; R385-D389 PolarHBondContact O-N 3.41Å; D389-L391 PolarHBondContact O-N 3.47Å; D389-Q392 PolarHBondContact O-N 2.83Å; D389-S393 PolarHBondContact O-N 2.98Å
390L90.2Very high79.4Confident28 Ų2869.3 Ų69.315%0.14739%0.39CS..Hα-helixtrans-62-41.7172.9-173.460.9000111.5V337 V338 M345 I386 I387 N388 S393 L394V337-L390 HydrophobicContact CG1-CD1 4.13Å; V337-L390 HydrophobicContact CG1-CD2 4.39Å; V337-L390 HydrophobicContact CG1-CG 4.33Å; V338-L390 HydrophobicContact CB-CD2 4.41Å; V338-L390 HydrophobicContact CG2-CD2 4.09Å; M345-L390 HydrophobicContact CE-CD1 4.15Å; M345-L390 HydrophobicContact CE-CD2 3.8Å; M345-L390 HydrophobicContact CG-CD2 4.09Å; I386-L390 WeakPolarHBondContact O-CB 3.5Å; I386-L390 PolarHBondContact O-N 3.34Å; I386-L390 VanDerWaalsContact O-N 3.11Å; I387-L390 PolarHBondContact O-N 2.73Å; N388-L390 VanDerWaalsContact C-N 3.34Å; L390-S393 PolarHBondContact O-N 3.15Å; L390-S393 PolarHBondContact O-OG 3.15Å; L390-L394 WeakPolarHBondContact O-CG 3.38Å; L390-L394 PolarHBondContact O-N 3.39Å
391L89.1Confident77.6Confident10 Ų1075 Ų755%0.05243%0.426CS..Hα-helixtrans-65.8-38.6174.6-70.3177.5000113.1V330 V338 I387 N388 D389 L394 R395V330-L391 HydrophobicContact CG1-CD1 4.42Å; V330-L391 HydrophobicContact CG1-CD2 4.1Å; V338-L391 HydrophobicContact CG2-CD2 4.19Å; I387-L391 HydrophobicContact CG2-CD1 4.14Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 VanDerWaalsContact O-CG 3.3Å; I387-L391 WeakPolarHBondContact O-CG 3.49Å; I387-L391 PolarHBondContact O-N 3.48Å; N388-L391 CarbonylContact O-C 3.56Å; N388-L391 WeakPolarHBondContact O-CB 3.2Å; N388-L391 PolarHBondContact O-N 3.15Å; D389-L391 PolarHBondContact O-N 3.47Å; L391-L394 PolarHBondContact O-N 3.36Å; L391-R395 PolarHBondContact O-N 2.89Å; L391-R395 VanDerWaalsContact O-N 3.15Å
392Q87.9Confident75.6Confident114 Ų11476.8 Ų76.853%0.53345%0.446SS..Hα-helixtrans-66.9-43.7176.4-74.4175.149.800111N388 D389 L394 R395 S396N388-Q392 WeakPolarHBondContact O-CB 3.4Å; N388-Q392 VanDerWaalsContact O-CG 3.31Å; N388-Q392 WeakPolarHBondContact O-CG 3.3Å; N388-Q392 PolarHBondContact O-N 2.87Å; D389-Q392 PolarHBondContact O-N 2.83Å; Q392-L394 PolarHBondContact O-N 3.49Å; Q392-L394 VanDerWaalsContact O-N 3.15Å; Q392-R395 CarbonylContact O-C 3.51Å; Q392-R395 PolarHBondContact O-N 3.21Å; Q392-S396 PolarHBondContact O-N 3Å; Q392-S396 PolarHBondContact O-OG 3.02Å
393S85.2Confident73Confident69 Ų6975.9 Ų75.948%0.48346%0.462SS..Hα-helixtrans-59.2-26.7176.674.50000114D389 L390 S396D389-S393 PolarHBondContact O-N 2.98Å; L390-S393 PolarHBondContact O-N 3.15Å; L390-S393 PolarHBondContact O-OG 3.15Å; S393-S396 WeakPolarHBondContact CA-OG 3.4Å; S393-S396 PolarHBondContact O-OG 3.3Å
394L76.4Confident70.9Confident75 Ų7580.5 Ų80.539%0.39350%0.5SS..Hα-helixtrans-81.7-32.8174.3-66168.4000112.6V337 L390 L391 Q392V337-L394 HydrophobicContact CB-CD1 3.81Å; V337-L394 HydrophobicContact CG1-CD1 3.94Å; V337-L394 HydrophobicContact CG1-CD2 4.28Å; V337-L394 HydrophobicContact CG2-CD1 3.83Å; V337-L394 HydrophobicContact CG2-CD2 4.17Å; L390-L394 WeakPolarHBondContact O-CG 3.38Å; L390-L394 PolarHBondContact O-N 3.39Å; L391-L394 PolarHBondContact O-N 3.36Å; Q392-L394 PolarHBondContact O-N 3.49Å; Q392-L394 VanDerWaalsContact O-N 3.15Å
395R70.1Confident68.6Low171 Ų17186.1 Ų86.165%0.64554%0.535SS*.Hα-helixtrans-76.3-30.6174.6-72.6-176.5-179.2-126.78.5112.4L391 Q392 G397L391-R395 PolarHBondContact O-N 2.89Å; L391-R395 VanDerWaalsContact O-N 3.15Å; Q392-R395 CarbonylContact O-C 3.51Å; Q392-R395 PolarHBondContact O-N 3.21Å; R395-G397 PolarHBondContact O-N 2.81Å; R395-G397 VanDerWaalsContact O-N 3.17Å
396S59.2Low66.1Low91 Ų9182.9 Ų82.964%0.63655%0.546SS*.THydrogen-bonded Turntrans-81.926.9176.169.20000113.4Q392 S393Q392-S396 PolarHBondContact O-N 3Å; Q392-S396 PolarHBondContact O-OG 3.02Å; S393-S396 WeakPolarHBondContact CA-OG 3.4Å; S393-S396 PolarHBondContact O-OG 3.3Å
397G49.5Very low64.1Low42 Ų4289.8 Ų89.843%0.43358%0.579SS.*SBendtrans-55.1149.115500000109.4R395R395-G397 PolarHBondContact O-N 2.81Å; R395-G397 VanDerWaalsContact O-N 3.17Å
398P48.2Very low62Low125 Ų12594.9 Ų94.981%0.81261%0.613SS**PPolyproline II helixtrans-56.4137.5-172.122.4-33.4000110.8G400P398-G400 PolarHBondContact O-N 2.8Å; P398-G400 VanDerWaalsContact O-N 3.09Å
399P44.2Very low59.6Low124 Ų12498.3 Ų98.381%0.80564%0.638SS**PPolyproline II helixtrans-59.4119.9-178.724.4-33.3000109.2
400G42.7Very low57.2Low64 Ų6497.7 Ų97.766%0.6666%0.655SS**PPolyproline II helixtrans-56.6132.4174.800000109.4P398P398-G400 PolarHBondContact O-N 2.8Å; P398-G400 VanDerWaalsContact O-N 3.09Å
401P54.6Low54.9Low119 Ų119100.2 Ų100.277%0.77369%0.688SS**PPolyproline II helixtrans-59.7135.6-178.623.6-32.8000109.8G403P401-G403 PolarHBondContact O-N 3.49Å
402P49.2Very low52.5Low128 Ų128112 Ų11283%0.83173%0.732SS**PPolyproline II helixtrans-59.5134.1-177.923.9-33.2000110.3A404P402-A404 PolarHBondContact O-N 3.2Å; P402-A404 VanDerWaalsContact O-N 3.15Å
403G38.4Very low50.2Low75 Ų75110.2 Ų110.277%0.77374%0.744SS**  trans-61.4115.1-171.700000112.9P401 P405P401-G403 PolarHBondContact O-N 3.49Å; G403-P405 WeakPolarHBondContact O-CD 3.47Å
404A48.5Very low48Very low97 Ų97119.6 Ų119.680%0.80277%0.768SS**  trans-77.2121.8166.600000109.5P402 G406P402-A404 PolarHBondContact O-N 3.2Å; P402-A404 VanDerWaalsContact O-N 3.15Å; A404-G406 PolarHBondContact O-N 2.81Å
405P44.9Very low46.3Very low131 Ų131119.5 Ų119.585%0.85179%0.785SS**  trans-76.2121.2-179.3-14.429.9000112.3G403G403-P405 WeakPolarHBondContact O-CD 3.47Å
406G40.5Very low44.6Very low73 Ų73124 Ų12475%0.75380%0.802SS**  trans87.2109.8152.900000118.3A404A404-G406 PolarHBondContact O-N 2.81Å
407M51.3Low43.5Very low186 Ų186122.9 Ų122.992%0.91681%0.806SS**  trans-159.6138.7130.3-149.652.111700109.9
408P47.4Very low43Very low108 Ų108130.4 Ų130.470%0.70183%0.83SS**  trans-80.7165.8-169.231.5-36.2000114.7
409P42.3Very low42.3Very low138 Ų138126.5 Ų126.590%0.89681%0.812SS**  trans-86.8130.1-168.333.3-34.5000113.8
410G41.3Very low42.1Very low83 Ų83128.3 Ų128.386%0.85682%0.815SS**  trans170.4144.5166.100000113.7
411G41.8Very low41.6Very low81 Ų81137 Ų13784%0.83583%0.828SS**  trans128.989.9165.100000116
412R39.7Very low41.1Very low259 Ų259134 Ų13498%0.97782%0.819SS**  trans-51.2144.3163.2-66.7165.7167.5157.1-5.4112
413G39.8Very low41.1Very low76 Ų76133 Ų13378%0.78481%0.813SS**  trans-170.8111.2161.400000113.3
414R37.8Very low41.5Very low266 Ų266136.4 Ų136.4100%1.00482%0.821SS**  trans-74.5129.1175.2-73.1-179.8173.7179.6-2.2110.4
415G40.3Very low41.8Very low73 Ų73134.5 Ų134.575%0.75381%0.81SS**  trans-136.2123.116500000110.7
416R36Very low42.7Very low264 Ų264129.3 Ų129.3100%0.99678%0.781SS**  trans-69127.4168.6-81.6-177.3172.6-173-1108.5
417G36Very low44.7Very low69 Ų69131 Ų13171%0.71177%0.769SS**  trans177.287.1173.900000112.8G419G417-G419 PolarHBondContact O-N 2.87Å
418Q39.3Very low46.2Very low200 Ų200125.6 Ų125.694%0.93574%0.743SS**  trans21.864.4149.8-159.7172.88.800118.2
419G33Very low48Very low43 Ų43122.3 Ų122.344%0.44372%0.72SS.*  trans-74.1132.3161.600000109.1G417G417-G419 PolarHBondContact O-N 2.87Å
420N39.2Very low50.1Low162 Ų162115.8 Ų115.887%0.86668%0.678SS**  cis58.954.534.9-155.281.4000112.7
421W32.6Very low52.2Low245 Ų245112.7 Ų112.793%0.92864%0.643SS**  trans-113.197179.5-72100.2000111.4
422G44.9Very low54.3Low57 Ų57108.9 Ų108.959%0.58860%0.604SS**  trans-169.1123.6167.300000108.3
423P49.2Very low56.4Low108 Ų10897.9 Ų97.970%0.70157%0.566SS**  trans-63.3151.517627.7-34000110.4G425P423-G425 PolarHBondContact O-N 3.38Å
424P46Very low58.6Low146 Ų14696.3 Ų96.395%0.94854%0.541SS*.SBendtrans-74.177.417931.6-35000110.5
425G54.9Low60.9Low56 Ų5690.7 Ų90.758%0.57753%0.526SS*.SBendtrans161.386.5-173.300000108P423 E427P423-G425 PolarHBondContact O-N 3.38Å; G425-E427 PolarHBondContact O-N 2.8Å
426G64.2Low63.2Low22 Ų2289.7 Ų89.723%0.22750%0.501CS..EExtended strand (participates in β ladder)trans-73.1118-164.500000112.9R479 G480 I485G426-R479 CarbonylContact O-C 3.54Å; G426-R479 VanDerWaalsContact O-CA 3.26Å; G426-R479 WeakPolarHBondContact O-CA 3.19Å; G426-G480 WeakPolarHBondContact CA-O 3.34Å; G426-G480 PolarHBondContact N-O 2.93Å; G426-G480 PolarHBondContact O-N 2.98Å; G426-I485 VanDerWaalsContact C-CD1 3.5Å
427E81.5Confident65.6Low108 Ų10877.6 Ų77.651%0.50546%0.457SS..EExtended strand (participates in β ladder)trans-133127.5161.4178.4169-141.700107.5G425 V477 I478 R479G425-E427 PolarHBondContact O-N 2.8Å; E427-V477 HydrophobicContact CG-CG1 3.78Å; E427-V477 WeakPolarHBondContact OE1-CG1 3.42Å; E427-I478 CarbonylContact C-O 3.59Å; E427-I478 WeakPolarHBondContact CA-O 3.1Å; E427-R479 HydrophobicContact CB-CG 4.11Å; E427-R479 HydrophobicContact CG-CG 3.93Å; E427-R479 IonicContact OE1-CZ 2.72Å; E427-R479 IonicContact OE1-NE 3.2Å; E427-R479 PolarHBondContact OE1-NE 3.11Å; E427-R479 IonicContact OE1-NH2 2.68Å; E427-R479 PolarHBondContact OE1-NH2 2.75Å
428M84.1Confident68Low74 Ų7476.5 Ų76.537%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-135.3130.9-179-162.1165.8-177.200110.6F430 I478 I485 P502M428-F430 HydrophobicContact CB-CE2 3.83Å; M428-F430 HydrophobicContact CB-CZ 4.21Å; M428-F430 HydrophobicContact CE-CE1 3.88Å; M428-F430 HydrophobicContact CE-CZ 3.75Å; M428-F430 HydrophobicContact CG-CD2 4.43Å; M428-F430 HydrophobicContact CG-CE1 4.29Å; M428-F430 HydrophobicContact CG-CE2 3.6Å; M428-F430 HydrophobicContact CG-CZ 3.54Å; M428-F430 HydrophobicContact SD-CE1 4.19Å; M428-F430 HydrophobicContact SD-CE2 4.04Å; M428-F430 HydrophobicContact SD-CZ 3.43Å; M428-F430 WeakPolarHBondContact SD-CZ 3.4Å; M428-I478 PolarHBondContact N-O 3.48Å; M428-I478 PolarHBondContact O-N 3.38Å; M428-I485 HydrophobicContact CB-CG2 3.82Å; M428-I485 HydrophobicContact SD-CG2 4.07Å; M428-P502 HydrophobicContact CE-CB 3.98Å
429T85.5Confident70.4Confident38 Ų3871.8 Ų71.823%0.23343%0.426CS..EExtended strand (participates in β ladder)trans-105.6134.1-177.1-55.90000110.6L475 F476 V477 V503T429-L475 HydrophobicContact CG2-CB 4.15Å; T429-L475 HydrophobicContact CG2-CD1 4.32Å; T429-L475 HydrophobicContact CG2-CD2 4.1Å; T429-L475 HydrophobicContact CG2-CG 4.42Å; T429-F476 CarbonylContact C-O 3.33Å; T429-F476 VanDerWaalsContact CA-O 3.32Å; T429-F476 WeakPolarHBondContact CA-O 3.17Å; T429-V477 HydrophobicContact CG2-CG2 4.23Å; T429-V503 HydrophobicContact CG2-CB 4.29Å; T429-V503 PolarHBondContact O-N 3.16Å
430F84.9Confident73Confident1 Ų169.7 Ų69.70%0.00441%0.405CS..EExtended strand (participates in β ladder)trans-131.3150.8179.1-58.2-88.1000110.7M428 L475 F476 I478 K489 L500 C501 P502M428-F430 HydrophobicContact CB-CE2 3.83Å; M428-F430 HydrophobicContact CB-CZ 4.21Å; M428-F430 HydrophobicContact CE-CE1 3.88Å; M428-F430 HydrophobicContact CE-CZ 3.75Å; M428-F430 HydrophobicContact CG-CD2 4.43Å; M428-F430 HydrophobicContact CG-CE1 4.29Å; M428-F430 HydrophobicContact CG-CE2 3.6Å; M428-F430 HydrophobicContact CG-CZ 3.54Å; M428-F430 HydrophobicContact SD-CE1 4.19Å; M428-F430 HydrophobicContact SD-CE2 4.04Å; M428-F430 HydrophobicContact SD-CZ 3.43Å; M428-F430 WeakPolarHBondContact SD-CZ 3.4Å; F430-L475 CarbonylContact O-C 3.49Å; F430-L475 WeakPolarHBondContact O-CA 3.35Å; F430-F476 PolarHBondContact N-O 2.92Å; F430-F476 PolarHBondContact O-N 3.17Å; F430-I478 HydrophobicContact CD2-CD1 3.78Å; F430-I478 HydrophobicContact CD2-CG1 4.03Å; F430-I478 HydrophobicContact CE2-CD1 3.63Å; F430-I478 HydrophobicContact CE2-CG1 4.07Å; F430-K489 HydrophobicContact CE1-CD 3.96Å; F430-K489 HydrophobicContact CE1-CG 4.07Å; F430-K489 HydrophobicContact CZ-CB 4.4Å; F430-K489 HydrophobicContact CZ-CD 3.94Å; F430-K489 HydrophobicContact CZ-CG 3.91Å; F430-L500 HydrophobicContact CB-CB 4.32Å; F430-L500 HydrophobicContact CB-CD1 4.43Å; F430-L500 HydrophobicContact CB-CD2 4.1Å; F430-L500 HydrophobicContact CD1-CB 3.73Å; F430-L500 HydrophobicContact CD1-CD1 4.29Å; F430-L500 HydrophobicContact CE1-CB 4.34Å; F430-L500 HydrophobicContact CG-CB 4.24Å; F430-L500 HydrophobicContact CG-CD1 4.2Å; F430-C501 WeakPolarHBondContact CA-O 3.17Å; F430-P502 HydrophobicContact CD1-CB 4.11Å; F430-P502 HydrophobicContact CE1-CB 4.06Å
431S85.3Confident75.3Confident19 Ų1963.7 Ų63.713%0.13337%0.372CS..EExtended strand (participates in β ladder)trans-97.5126.3172.460.20000111.3C501S431-C501 PolarHBondContact N-O 3.48Å
432I85.7Confident77.9Confident1 Ų153.2 Ų53.21%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-114.7135.2174.9-53.2-168.6000109.2T434 K436 V440 F473 K474 F476 I492 I496 L500I432-T434 PolarHBondContact O-N 3.2Å; I432-K436 HydrophobicContact CG2-CB 4.37Å; I432-V440 HydrophobicContact CD1-CG2 4.07Å; I432-V440 HydrophobicContact CG2-CG2 4.5Å; I432-F473 WeakPolarHBondContact O-CA 3.45Å; I432-K474 PolarHBondContact N-O 3.19Å; I432-K474 PolarHBondContact O-N 2.93Å; I432-F476 HydrophobicContact CB-CD2 3.71Å; I432-F476 HydrophobicContact CB-CE2 3.73Å; I432-F476 HydrophobicContact CD1-CB 4.04Å; I432-F476 HydrophobicContact CD1-CD1 3.91Å; I432-F476 HydrophobicContact CD1-CD2 3.45Å; I432-F476 VanDerWaalsContact CD1-CD2 3.45Å; I432-F476 HydrophobicContact CD1-CE1 4.17Å; I432-F476 HydrophobicContact CD1-CE2 3.75Å; I432-F476 HydrophobicContact CD1-CG 3.52Å; I432-F476 HydrophobicContact CD1-CZ 4.09Å; I432-F476 HydrophobicContact CG1-CB 4.28Å; I432-F476 HydrophobicContact CG1-CD2 3.48Å; I432-F476 VanDerWaalsContact CG1-CD2 3.48Å; I432-F476 HydrophobicContact CG1-CE2 3.94Å; I432-F476 HydrophobicContact CG1-CG 3.95Å; I432-F476 HydrophobicContact CG2-CE2 4.38Å; I432-I492 HydrophobicContact CD1-CG2 3.49Å; I432-I492 VanDerWaalsContact CD1-CG2 3.49Å; I432-I496 HydrophobicContact CG2-CG2 3.97Å; I432-L500 HydrophobicContact CD1-CD2 3.9Å; I432-L500 HydrophobicContact CG1-CD2 3.58Å
433P85.3Confident80Confident28 Ų2861.6 Ų61.618%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-56.6134.6174.6-23.532.2000112.4H435 K436 C437 N472 F473P433-H435 WeakPolarHBondContact CB-CE1 3.48Å; P433-H435 PolarHBondContact O-N 3.32Å; P433-H435 VanDerWaalsContact O-N 3.11Å; P433-K436 HydrophobicContact CB-CG 4.33Å; P433-K436 PolarHBondContact O-N 2.74Å; P433-C437 PolarHBondContact O-N 3.49Å; P433-N472 CarbonylContact C-O 3.45Å; P433-N472 VanDerWaalsContact CA-O 3.29Å; P433-N472 WeakPolarHBondContact CA-O 3.32Å; P433-F473 HydrophobicContact CB-CD1 4.49Å; P433-F473 HydrophobicContact CB-CE1 4.42Å; P433-F473 HydrophobicContact CG-CD1 4.2Å; P433-F473 HydrophobicContact CG-CE1 3.87Å
434T84.5Confident81.7Confident43 Ų4360.1 Ų60.126%0.26436%0.359SS..THydrogen-bonded Turntrans-56.5-31.6-176.6-65.40000112.6I432 C437 P471 N472 F473 K474I432-T434 PolarHBondContact O-N 3.2Å; T434-C437 PolarHBondContact O-SG 3.32Å; T434-P471 PolarHBondContact OG1-O 3.38Å; T434-N472 PolarHBondContact N-O 3.21Å; T434-N472 VanDerWaalsContact OG1-C 3.31Å; T434-N472 PolarHBondContact OG1-O 3.47Å; T434-F473 PolarHBondContact OG1-N 3.36Å; T434-K474 HydrophobicContact CG2-CD 4.46Å
435H87.1Confident83.7Confident147 Ų14753.8 Ų53.868%0.68132%0.32SS*.THydrogen-bonded Turntrans-74.1-27.8175.862.9-92.4000113.4P433P433-H435 WeakPolarHBondContact CB-CE1 3.48Å; P433-H435 PolarHBondContact O-N 3.32Å; P433-H435 VanDerWaalsContact O-N 3.11Å
436K88.3Confident85.4Confident53 Ų5358 Ų5823%0.2333%0.325CS..THydrogen-bonded Turntrans-89.5-14.2175.8-55.6-154.7-178.2-165.40113.2I432 P433 G438 L439 I496I432-K436 HydrophobicContact CG2-CB 4.37Å; P433-K436 HydrophobicContact CB-CG 4.33Å; P433-K436 PolarHBondContact O-N 2.74Å; K436-G438 PolarHBondContact O-N 2.92Å; K436-G438 VanDerWaalsContact O-N 3.16Å; K436-L439 HydrophobicContact CB-CD1 4.46Å; K436-L439 WeakPolarHBondContact O-CB 3.5Å; K436-L439 PolarHBondContact O-N 3.42Å; K436-I496 HydrophobicContact CB-CB 4.25Å; K436-I496 HydrophobicContact CB-CG2 4.1Å; K436-I496 HydrophobicContact CD-CB 3.93Å; K436-I496 WeakPolarHBondContact CD-O 3.29Å; K436-I496 WeakPolarHBondContact CE-O 3.36Å; K436-I496 PolarHBondContact NZ-O 3.5Å
437C86.7Confident86.7Confident10 Ų1059.1 Ų59.17%0.06833%0.325CS..Hα-helixtrans-58.6-32.9-178.386.70000112.7P433 T434 L439 V440 I441 K474 F476P433-C437 PolarHBondContact O-N 3.49Å; T434-C437 PolarHBondContact O-SG 3.32Å; C437-L439 VanDerWaalsContact C-N 3.29Å; C437-L439 PolarHBondContact O-N 3.42Å; C437-V440 PolarHBondContact O-N 3.1Å; C437-I441 HydrophobicContact CB-CD1 4.26Å; C437-I441 VanDerWaalsContact O-CD1 3.24Å; C437-I441 WeakPolarHBondContact O-CD1 3.43Å; C437-I441 WeakPolarHBondContact O-CG1 3.26Å; C437-I441 PolarHBondContact O-N 2.83Å; C437-K474 HydrophobicContact CB-CD 4.29Å; C437-F476 HydrophobicContact CB-CE2 3.96Å; C437-F476 HydrophobicContact CB-CZ 3.89Å
438G86.7Confident87.3Confident46 Ų4655.1 Ų55.147%0.47431%0.308SS..Hα-helixtrans-63.2-3117600000114K436 G442K436-G438 PolarHBondContact O-N 2.92Å; K436-G438 VanDerWaalsContact O-N 3.16Å; G438-G442 WeakPolarHBondContact O-CA 3.48Å; G438-G442 PolarHBondContact O-N 3.4Å
439L88.1Confident87.7Confident100 Ų10058.1 Ų58.152%0.52432%0.319SS..Hα-helixtrans-67.6-45.5175.5-60173.1000110.6K436 C437 N447K436-L439 HydrophobicContact CB-CD1 4.46Å; K436-L439 WeakPolarHBondContact O-CB 3.5Å; K436-L439 PolarHBondContact O-N 3.42Å; C437-L439 VanDerWaalsContact C-N 3.29Å; C437-L439 PolarHBondContact O-N 3.42Å; L439-N447 PolarHBondContact O-ND2 2.8Å
440V88.8Confident88Confident0 Ų057.7 Ų57.70%032%0.32CS..Hα-helixtrans-66.2-43.8179.5-176.60000111.9I432 C437 N447 V448 I451 F476 I492 I496I432-V440 HydrophobicContact CD1-CG2 4.07Å; I432-V440 HydrophobicContact CG2-CG2 4.5Å; C437-V440 PolarHBondContact O-N 3.1Å; V440-N447 CarbonylContact O-C 3.58Å; V440-V448 PolarHBondContact O-N 3.08Å; V440-I451 HydrophobicContact CG1-CD1 3.96Å; V440-F476 HydrophobicContact CB-CE1 4.44Å; V440-F476 HydrophobicContact CG1-CE1 4.03Å; V440-I492 HydrophobicContact CG1-CG1 3.98Å; V440-I492 HydrophobicContact CG1-CG2 4.22Å; V440-I492 HydrophobicContact CG2-CG2 3.99Å; V440-I496 HydrophobicContact CG2-CG2 3.28Å
441I88Confident88.4Confident35 Ų3557.7 Ų57.718%0.17932%0.32CS..Hα-helixtrans-74.6-43.2-176.4-59.5158.1000111C437 G445 N447 V448 I461 F476C437-I441 HydrophobicContact CB-CD1 4.26Å; C437-I441 VanDerWaalsContact O-CD1 3.24Å; C437-I441 WeakPolarHBondContact O-CD1 3.43Å; C437-I441 WeakPolarHBondContact O-CG1 3.26Å; C437-I441 PolarHBondContact O-N 2.83Å; I441-G445 CarbonylContact O-C 3.45Å; I441-G445 VanDerWaalsContact O-C 3.23Å; I441-G445 VanDerWaalsContact O-CA 3.24Å; I441-G445 WeakPolarHBondContact O-CA 3.43Å; I441-N447 PolarHBondContact O-N 3.38Å; I441-N447 VanDerWaalsContact O-N 3.12Å; I441-V448 HydrophobicContact CG2-CG1 4.24Å; I441-V448 PolarHBondContact O-N 2.91Å; I441-V448 VanDerWaalsContact O-N 3.13Å; I441-I461 HydrophobicContact CD1-CD1 3.37Å; I441-I461 HydrophobicContact CD1-CG1 4.16Å; I441-I461 HydrophobicContact CG1-CD1 3.88Å; I441-I461 HydrophobicContact CG1-CG1 4.38Å; I441-F476 HydrophobicContact CD1-CZ 4.23Å; I441-F476 HydrophobicContact CG1-CE1 4.27Å; I441-F476 HydrophobicContact CG1-CZ 4.22Å
442G86.5Confident88.7Confident25 Ų2558.3 Ų58.326%0.25832%0.321SS..  trans72.8171.6-171.200000113.7G438 G444 G445G438-G442 WeakPolarHBondContact O-CA 3.48Å; G438-G442 PolarHBondContact O-N 3.4Å; G442-G444 PolarHBondContact O-N 3.07Å; G442-G445 PolarHBondContact O-N 3.48Å
443R88.5Confident89.1Confident233 Ų23366.6 Ų66.688%0.87936%0.36SS*.G310 helixtrans-62131.5172.6-76.9-177.3-89.6168.6-5.7109.1G445 E446R443-G445 PolarHBondContact O-N 3.18Å; R443-G445 VanDerWaalsContact O-N 3.07Å; R443-E446 VanDerWaalsContact O-CB 3.31Å; R443-E446 WeakPolarHBondContact O-CB 3.27Å; R443-E446 PolarHBondContact O-N 3.31Å; R443-E446 VanDerWaalsContact O-N 3.1Å
444G84.9Confident89.5Confident77 Ų7771 Ų7179%0.79438%0.378SS*.G310 helixtrans61.914.5-179.900000116.3G442 E446G442-G444 PolarHBondContact O-N 3.07Å; G444-E446 VanDerWaalsContact C-N 3.26Å; G444-E446 PolarHBondContact O-N 2.8Å
445G87.5Confident89.9Confident13 Ų1369.4 Ų69.413%0.13437%0.368CS..G310 helixtrans73.214.7-173.800000114.3I441 G442 R443 N447 V448 K449I441-G445 CarbonylContact O-C 3.45Å; I441-G445 VanDerWaalsContact O-C 3.23Å; I441-G445 VanDerWaalsContact O-CA 3.24Å; I441-G445 WeakPolarHBondContact O-CA 3.43Å; G442-G445 PolarHBondContact O-N 3.48Å; R443-G445 PolarHBondContact O-N 3.18Å; R443-G445 VanDerWaalsContact O-N 3.07Å; G445-N447 PolarHBondContact O-N 2.89Å; G445-V448 VanDerWaalsContact O-CG1 3.28Å; G445-V448 WeakPolarHBondContact O-CG1 3.26Å; G445-K449 WeakPolarHBondContact O-CB 3.36Å; G445-K449 WeakPolarHBondContact O-CD 3.2Å; G445-K449 VanDerWaalsContact O-CG 3.24Å; G445-K449 WeakPolarHBondContact O-CG 3.31Å; G445-K449 PolarHBondContact O-N 3.29Å
446E91.2Very high90Very high145 Ų14564.5 Ų64.568%0.67836%0.358SS*.Hα-helixtrans-61.6-41.3-178.1-173.9177.6-172.400112.5R443 G444 K449 A450R443-E446 VanDerWaalsContact O-CB 3.31Å; R443-E446 WeakPolarHBondContact O-CB 3.27Å; R443-E446 PolarHBondContact O-N 3.31Å; R443-E446 VanDerWaalsContact O-N 3.1Å; G444-E446 VanDerWaalsContact C-N 3.26Å; G444-E446 PolarHBondContact O-N 2.8Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.01Å; E446-A450 PolarHBondContact O-N 3.27Å
447N92.7Very high90.2Very high46 Ų4662.2 Ų62.225%0.24635%0.349CS..Hα-helixtrans-74-39.3-176-156.212.5000111.4L439 V440 I441 G445 K449 A450 I451 K495L439-N447 PolarHBondContact O-ND2 2.8Å; V440-N447 CarbonylContact O-C 3.58Å; I441-N447 PolarHBondContact O-N 3.38Å; I441-N447 VanDerWaalsContact O-N 3.12Å; G445-N447 PolarHBondContact O-N 2.89Å; N447-K449 VanDerWaalsContact C-N 3.34Å; N447-K449 PolarHBondContact O-N 3.27Å; N447-A450 WeakPolarHBondContact O-CB 3.32Å; N447-A450 PolarHBondContact O-N 2.88Å; N447-I451 VanDerWaalsContact O-CG1 3.31Å; N447-I451 WeakPolarHBondContact O-CG1 3.21Å; N447-I451 PolarHBondContact O-N 2.77Å; N447-K495 WeakPolarHBondContact OD1-CE 3.37Å; N447-K495 PolarHBondContact OD1-NZ 3.36Å
448V92.5Very high90.4Very high23 Ų2367 Ų6714%0.13937%0.369CS..Hα-helixtrans-67.9-33.4173630000112.1V440 I441 G445 I451 N452 V459V440-V448 PolarHBondContact O-N 3.08Å; I441-V448 HydrophobicContact CG2-CG1 4.24Å; I441-V448 PolarHBondContact O-N 2.91Å; I441-V448 VanDerWaalsContact O-N 3.13Å; G445-V448 VanDerWaalsContact O-CG1 3.28Å; G445-V448 WeakPolarHBondContact O-CG1 3.26Å; V448-I451 PolarHBondContact O-N 3.35Å; V448-N452 WeakPolarHBondContact O-CB 3.2Å; V448-N452 PolarHBondContact O-N 2.93Å; V448-N452 PolarHBondContact O-OD1 3.29Å; V448-V459 HydrophobicContact CG2-CB 3.83Å; V448-V459 HydrophobicContact CG2-CG1 3.94Å
449K92.6Very high90.6Very high137 Ų13765 Ų6560%0.59635%0.348SS*.Hα-helixtrans-62.8-42.4169.8-74.8167.1-177.1167.30111.8G445 E446 N447 N452 Q453G445-K449 WeakPolarHBondContact O-CB 3.36Å; G445-K449 WeakPolarHBondContact O-CD 3.2Å; G445-K449 VanDerWaalsContact O-CG 3.24Å; G445-K449 WeakPolarHBondContact O-CG 3.31Å; G445-K449 PolarHBondContact O-N 3.29Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.01Å; N447-K449 VanDerWaalsContact C-N 3.34Å; N447-K449 PolarHBondContact O-N 3.27Å; K449-N452 PolarHBondContact O-N 3.28Å; K449-Q453 WeakPolarHBondContact O-CB 3.19Å; K449-Q453 PolarHBondContact O-N 3.43Å
450A93.1Very high90.6Very high30 Ų3062 Ų6225%0.24833%0.331CS..Hα-helixtrans-63.5-42.717600000112.1E446 N447 N452 Q453 Q454E446-A450 PolarHBondContact O-N 3.27Å; N447-A450 WeakPolarHBondContact O-CB 3.32Å; N447-A450 PolarHBondContact O-N 2.88Å; A450-N452 PolarHBondContact O-N 2.95Å; A450-Q453 PolarHBondContact O-N 3.14Å; A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 VanDerWaalsContact O-CG 3.29Å; A450-Q454 WeakPolarHBondContact O-CG 3.33Å; A450-Q454 PolarHBondContact O-N 2.98Å
451I92.5Very high90.6Very high0 Ų065.2 Ų65.20%035%0.347CS..Hα-helixtrans-58-49.5172.7-63.7164.7000110.1V440 N447 V448 Q453 Q454 T455 V459 A488 L491 I492 K495V440-I451 HydrophobicContact CG1-CD1 3.96Å; N447-I451 VanDerWaalsContact O-CG1 3.31Å; N447-I451 WeakPolarHBondContact O-CG1 3.21Å; N447-I451 PolarHBondContact O-N 2.77Å; V448-I451 PolarHBondContact O-N 3.35Å; I451-Q453 VanDerWaalsContact C-N 3.3Å; I451-Q453 PolarHBondContact O-N 3.49Å; I451-Q454 PolarHBondContact O-N 3.41Å; I451-T455 HydrophobicContact CG2-CG2 4.18Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.49Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.97Å; I451-T455 PolarHBondContact O-OG1 3.35Å; I451-V459 HydrophobicContact CG2-CG2 3.97Å; I451-A488 HydrophobicContact CG2-CB 4.21Å; I451-L491 HydrophobicContact CG1-CB 4.41Å; I451-L491 HydrophobicContact CG2-CB 4.36Å; I451-L491 HydrophobicContact CG2-CD1 4.37Å; I451-I492 HydrophobicContact CD1-CG1 4.02Å; I451-I492 HydrophobicContact CG2-CG1 4.45Å; I451-K495 HydrophobicContact CD1-CD 3.63Å; I451-K495 HydrophobicContact CG1-CD 4.09Å; I451-K495 VanDerWaalsContact CG1-CE 3.49Å
452N92.2Very high90.2Very high32 Ų3264.8 Ų64.817%0.17135%0.347CS..Hα-helixtrans-60.5-40.1179.5-68.1-0.8000111.8V448 K449 A450 G456 A457 V459V448-N452 WeakPolarHBondContact O-CB 3.2Å; V448-N452 PolarHBondContact O-N 2.93Å; V448-N452 PolarHBondContact O-OD1 3.29Å; K449-N452 PolarHBondContact O-N 3.28Å; A450-N452 PolarHBondContact O-N 2.95Å; N452-G456 WeakPolarHBondContact O-CA 3.46Å; N452-G456 PolarHBondContact O-N 3.12Å; N452-A457 WeakPolarHBondContact CA-O 3.3Å; N452-A457 VanDerWaalsContact CB-O 3.22Å; N452-A457 WeakPolarHBondContact CB-O 3.21Å; N452-A457 PolarHBondContact OD1-O 3.11Å; N452-V459 WeakPolarHBondContact OD1-CB 3.32Å; N452-V459 VanDerWaalsContact OD1-CG2 3.28Å; N452-V459 WeakPolarHBondContact OD1-CG2 3.29Å; N452-V459 PolarHBondContact OD1-N 3.11Å
453Q93.6Very high89.6Confident175 Ų17571.4 Ų71.482%0.81837%0.365SS*.Hα-helixtrans-71.4-38.7179.4-170.917518.500113.2K449 A450 I451K449-Q453 WeakPolarHBondContact O-CB 3.19Å; K449-Q453 PolarHBondContact O-N 3.43Å; A450-Q453 PolarHBondContact O-N 3.14Å; I451-Q453 VanDerWaalsContact C-N 3.3Å; I451-Q453 PolarHBondContact O-N 3.49Å
454Q93.6Very high88.7Confident120 Ų12067.2 Ų67.256%0.56136%0.355SS*.Hα-helixtrans-73.5-31.5178.6-73.4175.1-3.500112.7A450 I451 H487 L491A450-Q454 WeakPolarHBondContact O-CB 3.4Å; A450-Q454 VanDerWaalsContact O-CG 3.29Å; A450-Q454 WeakPolarHBondContact O-CG 3.33Å; A450-Q454 PolarHBondContact O-N 2.98Å; I451-Q454 PolarHBondContact O-N 3.41Å; Q454-H487 PolarHBondContact O-CE1 2.94Å; Q454-L491 HydrophobicContact CB-CD1 4.02Å
455T92.9Very high87.8Confident10 Ų1069.8 Ų69.86%0.06135%0.35CS..Hα-helixtrans-98.9-24.4-172.661.60000113.1I451 A457 Q484 H487 A488 L491I451-T455 HydrophobicContact CG2-CG2 4.18Å; I451-T455 VanDerWaalsContact O-CB 3.31Å; I451-T455 WeakPolarHBondContact O-CB 3.49Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.97Å; I451-T455 PolarHBondContact O-OG1 3.35Å; T455-A457 PolarHBondContact O-N 3.23Å; T455-A457 WeakPolarHBondContact OG1-CB 3.35Å; T455-A457 PolarHBondContact OG1-N 2.8Å; T455-A457 VanDerWaalsContact OG1-N 3.08Å; T455-Q484 WeakPolarHBondContact O-CB 3.33Å; T455-Q484 VanDerWaalsContact O-CG 3.27Å; T455-Q484 WeakPolarHBondContact O-CG 3.44Å; T455-H487 HydrophobicContact CG2-CB 4.19Å; T455-A488 VanDerWaalsContact CG2-CA 3.46Å; T455-A488 HydrophobicContact CG2-CB 3.78Å; T455-L491 HydrophobicContact CG2-CD1 3.49Å; T455-L491 VanDerWaalsContact CG2-CD1 3.49Å; T455-L491 HydrophobicContact CG2-CG 4.31Å
456G90.1Very high86.7Confident45 Ų4569.7 Ų69.746%0.46435%0.347SS..SBendtrans71.11.5-166.300000113.9N452 Q484N452-G456 WeakPolarHBondContact O-CA 3.46Å; N452-G456 PolarHBondContact O-N 3.12Å; G456-Q484 PolarHBondContact O-NE2 3.36Å
457A90.7Very high85.3Confident5 Ų567.4 Ų67.44%0.04135%0.345CS..  trans-83.8159.6172.700000111.2N452 T455 I478 R479 Q484 A488N452-A457 WeakPolarHBondContact CA-O 3.3Å; N452-A457 VanDerWaalsContact CB-O 3.22Å; N452-A457 WeakPolarHBondContact CB-O 3.21Å; N452-A457 PolarHBondContact OD1-O 3.11Å; T455-A457 PolarHBondContact O-N 3.23Å; T455-A457 WeakPolarHBondContact OG1-CB 3.35Å; T455-A457 PolarHBondContact OG1-N 2.8Å; T455-A457 VanDerWaalsContact OG1-N 3.08Å; A457-I478 HydrophobicContact CB-CG2 3.82Å; A457-R479 CarbonylContact C-O 3.58Å; A457-R479 VanDerWaalsContact CA-O 3.29Å; A457-R479 WeakPolarHBondContact CA-O 3.47Å; A457-R479 WeakPolarHBondContact CB-O 3.28Å; A457-Q484 HydrophobicContact CB-CB 4.03Å; A457-A488 HydrophobicContact CB-CB 3.8Å
458F91.7Very high83.9Confident109 Ų10971.3 Ų71.348%0.47837%0.365SS..EExtended strand (participates in β ladder)trans-107.3100.7170.3-172-93.7000109.5E460 R479F458-E460 HydrophobicContact CD1-CB 4.33Å; F458-E460 HydrophobicContact CE1-CB 3.95Å; F458-E460 HydrophobicContact CE1-CG 4.13Å; F458-R479 HydrophobicContact CB-CB 4.37Å; F458-R479 PolarHBondContact N-O 2.87Å; F458-R479 PolarHBondContact O-N 2.7Å
459V90.8Very high82.5Confident6 Ų672.5 Ų72.54%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-86.9125.9173.1-176.70000109.5V448 I451 N452 F476 V477 I478 A488 I492V448-V459 HydrophobicContact CG2-CB 3.83Å; V448-V459 HydrophobicContact CG2-CG1 3.94Å; I451-V459 HydrophobicContact CG2-CG2 3.97Å; N452-V459 WeakPolarHBondContact OD1-CB 3.32Å; N452-V459 VanDerWaalsContact OD1-CG2 3.28Å; N452-V459 WeakPolarHBondContact OD1-CG2 3.29Å; N452-V459 PolarHBondContact OD1-N 3.11Å; V459-F476 HydrophobicContact CG1-CD1 3.98Å; V459-V477 CarbonylContact C-O 3.6Å; V459-V477 WeakPolarHBondContact CA-O 3.22Å; V459-I478 HydrophobicContact CG2-CG1 4.2Å; V459-I478 HydrophobicContact CG2-CG2 4.13Å; V459-A488 HydrophobicContact CG2-CB 4.1Å; V459-I492 HydrophobicContact CG1-CD1 3.96Å; V459-I492 HydrophobicContact CG2-CD1 4.02Å
460E89.2Confident81.5Confident35 Ų3569 Ų6916%0.16437%0.37CS..EExtended strand (participates in β ladder)trans-129150.2178.1-156.1-164.6121.700111R341 F458 F476 V477R341-E460 IonicContact CZ-OE1 3.78Å; R341-E460 IonicContact NH1-OE1 2.88Å; R341-E460 PolarHBondContact NH1-OE1 3.3Å; R341-E460 IonicContact NH2-OE1 3.34Å; R341-E460 PolarHBondContact NH2-OE1 3.28Å; R341-E460 IonicContact NH2-OE2 2.7Å; R341-E460 PolarHBondContact NH2-OE2 3.24Å; F458-E460 HydrophobicContact CD1-CB 4.33Å; F458-E460 HydrophobicContact CE1-CB 3.95Å; F458-E460 HydrophobicContact CE1-CG 4.13Å; E460-F476 CarbonylContact O-C 3.55Å; E460-F476 WeakPolarHBondContact O-CA 3.28Å; E460-V477 PolarHBondContact N-O 3.22Å; E460-V477 PolarHBondContact O-N 3.1Å
461I86.7Confident80.7Confident68 Ų6872.3 Ų72.335%0.34939%0.389SS..EExtended strand (participates in β ladder)trans-87.1117.4168.3-47.8159.1000107.5I441 F476I441-I461 HydrophobicContact CD1-CD1 3.37Å; I441-I461 HydrophobicContact CD1-CG1 4.16Å; I441-I461 HydrophobicContact CG1-CD1 3.88Å; I441-I461 HydrophobicContact CG1-CG1 4.38Å; I461-F476 HydrophobicContact CG1-CD1 4.3Å; I461-F476 HydrophobicContact CG1-CE1 3.74Å; I461-F476 HydrophobicContact CG1-CZ 3.9Å
462S81.2Confident80.2Confident26 Ų2677.6 Ų77.618%0.18242%0.418CS..  trans-69.4137.8173.1-179.60000110.4Q464 L475S462-Q464 PolarHBondContact O-N 2.98Å; S462-Q464 VanDerWaalsContact OG-CB 3.29Å; S462-Q464 WeakPolarHBondContact OG-CB 3.29Å; S462-Q464 PolarHBondContact OG-N 3.37Å; S462-Q464 VanDerWaalsContact OG-N 3.12Å; S462-L475 PolarHBondContact N-O 3.23Å
463R73.9Confident79.8Confident165 Ų16579.7 Ų79.762%0.62343%0.425SS*.SBendtrans-77.7-7.3172.2-59.3-175.2-176.4-165-0.7112.3
464Q68.3Low79.4Confident144 Ų14475.3 Ų75.367%0.67340%0.404SS*.SBendtrans-75.3129175.6-165.2170.71.900109.2S462 L475S462-Q464 PolarHBondContact O-N 2.98Å; S462-Q464 VanDerWaalsContact OG-CB 3.29Å; S462-Q464 WeakPolarHBondContact OG-CB 3.29Å; S462-Q464 PolarHBondContact OG-N 3.37Å; S462-Q464 VanDerWaalsContact OG-N 3.12Å; Q464-L475 HydrophobicContact CB-CD1 4.33Å
465L66.4Low79Confident132 Ų13269.9 Ų69.969%0.69138%0.378SS*.PPolyproline II helixtrans-58145.2170.2-71.9155.2000109.2
466P65.2Low78.8Confident10 Ų1069.5 Ų69.57%0.06538%0.376CS..PPolyproline II helixtrans-55.3145.8172.425.7-34.1000109.9N468 G469 D470 F473 L475P466-N468 PolarHBondContact O-N 2.92Å; P466-G469 PolarHBondContact O-N 2.81Å; P466-D470 VanDerWaalsContact CG-O 3.23Å; P466-D470 WeakPolarHBondContact CG-O 3.37Å; P466-F473 HydrophobicContact CB-CB 4.49Å; P466-F473 HydrophobicContact CG-CB 4.22Å; P466-L475 HydrophobicContact CB-CD2 4.1Å; P466-L475 HydrophobicContact CB-CG 4.24Å
467P61.6Low78.7Confident97 Ų9768 Ų6863%0.6336%0.357SS*.THydrogen-bonded Turntrans-60.5-19.7-175.423.5-33.9000113.6G469 V503P467-G469 VanDerWaalsContact C-N 3.3Å; P467-V503 HydrophobicContact CG-CG1 3.67Å
468N63.6Low78.8Confident128 Ų12867.7 Ų67.768%0.68436%0.355SS*.THydrogen-bonded Turntrans-78.5-9.8174.9-58.76000113.7P466 D470P466-N468 PolarHBondContact O-N 2.92Å; N468-D470 WeakPolarHBondContact CB-OD2 3.12Å; N468-D470 PolarHBondContact O-N 2.94Å
469G63.6Low78.7Confident48 Ų4867.8 Ų67.850%0.49535%0.352SS..  trans75.7-3.7-174.600000115.3P466 P467 P471P466-G469 PolarHBondContact O-N 2.81Å; P467-G469 VanDerWaalsContact C-N 3.3Å; G469-P471 VanDerWaalsContact O-CD 3.29Å; G469-P471 WeakPolarHBondContact O-CD 3.37Å
470D71.3Confident78.6Confident63 Ų6368.5 Ų68.534%0.33736%0.361SS..  trans-63.3112.9-174.5-67.5-52.8000113.1P466 N468 N472 F473P466-D470 VanDerWaalsContact CG-O 3.23Å; P466-D470 WeakPolarHBondContact CG-O 3.37Å; N468-D470 WeakPolarHBondContact CB-OD2 3.12Å; N468-D470 PolarHBondContact O-N 2.94Å; D470-N472 PolarHBondContact O-N 2.85Å; D470-N472 VanDerWaalsContact O-N 3.11Å; D470-F473 HydrophobicContact CB-CD2 3.8Å; D470-F473 PolarHBondContact O-N 2.74Å; D470-F473 VanDerWaalsContact O-N 3.13Å
471P75Confident78.6Confident101 Ų10169 Ų6966%0.65637%0.369SS*.THydrogen-bonded Turntrans-67.1-15.1176.429.2-35.8000112.7T434 G469 F473T434-P471 PolarHBondContact OG1-O 3.38Å; G469-P471 VanDerWaalsContact O-CD 3.29Å; G469-P471 WeakPolarHBondContact O-CD 3.37Å; P471-F473 PolarHBondContact O-N 3.34Å
472N81.7Confident78.6Confident111 Ų11170.2 Ų70.259%0.59438%0.381SS*.THydrogen-bonded Turntrans-73.5-6.6175.6-72.4-22.6000113.7P433 T434 D470P433-N472 CarbonylContact C-O 3.45Å; P433-N472 VanDerWaalsContact CA-O 3.29Å; P433-N472 WeakPolarHBondContact CA-O 3.32Å; T434-N472 PolarHBondContact N-O 3.21Å; T434-N472 VanDerWaalsContact OG1-C 3.31Å; T434-N472 PolarHBondContact OG1-O 3.47Å; D470-N472 PolarHBondContact O-N 2.85Å; D470-N472 VanDerWaalsContact O-N 3.11Å
473F84Confident79Confident75 Ų7576.8 Ų76.833%0.32941%0.409SS..EExtended strand (participates in β ladder)trans-127.4147.9176.4-64.9-91.1000112I432 P433 T434 P466 D470 P471I432-F473 WeakPolarHBondContact O-CA 3.45Å; P433-F473 HydrophobicContact CB-CD1 4.49Å; P433-F473 HydrophobicContact CB-CE1 4.42Å; P433-F473 HydrophobicContact CG-CD1 4.2Å; P433-F473 HydrophobicContact CG-CE1 3.87Å; T434-F473 PolarHBondContact OG1-N 3.36Å; P466-F473 HydrophobicContact CB-CB 4.49Å; P466-F473 HydrophobicContact CG-CB 4.22Å; D470-F473 HydrophobicContact CB-CD2 3.8Å; D470-F473 PolarHBondContact O-N 2.74Å; D470-F473 VanDerWaalsContact O-N 3.13Å; P471-F473 PolarHBondContact O-N 3.34Å
474K85.3Confident79.9Confident84 Ų8472 Ų7237%0.36539%0.394SS..EExtended strand (participates in β ladder)trans-120140.4169.7-74.8175.5179.7171.90109.5I432 T434 C437 F476I432-K474 PolarHBondContact N-O 3.19Å; I432-K474 PolarHBondContact O-N 2.93Å; T434-K474 HydrophobicContact CG2-CD 4.46Å; C437-K474 HydrophobicContact CB-CD 4.29Å; K474-F476 HydrophobicContact CB-CD2 4.47Å; K474-F476 HydrophobicContact CB-CE2 4.11Å
475L85.1Confident81Confident6 Ų665.6 Ų65.63%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-79.1132.1172.9-66.1-176000110T429 F430 S462 Q464 P466 V503T429-L475 HydrophobicContact CG2-CB 4.15Å; T429-L475 HydrophobicContact CG2-CD1 4.32Å; T429-L475 HydrophobicContact CG2-CD2 4.1Å; T429-L475 HydrophobicContact CG2-CG 4.42Å; F430-L475 CarbonylContact O-C 3.49Å; F430-L475 WeakPolarHBondContact O-CA 3.35Å; S462-L475 PolarHBondContact N-O 3.23Å; Q464-L475 HydrophobicContact CB-CD1 4.33Å; P466-L475 HydrophobicContact CB-CD2 4.1Å; P466-L475 HydrophobicContact CB-CG 4.24Å; L475-V503 HydrophobicContact CD2-CB 4.24Å; L475-V503 HydrophobicContact CD2-CG1 4.28Å; L475-V503 HydrophobicContact CD2-CG2 3.81Å
476F89.1Confident82.1Confident2 Ų263.3 Ų63.31%0.00935%0.352CS..EExtended strand (participates in β ladder)trans-115.3137.4171.4-80.8-108000108.5T429 F430 I432 C437 V440 I441 V459 E460 I461 K474T429-F476 CarbonylContact C-O 3.33Å; T429-F476 VanDerWaalsContact CA-O 3.32Å; T429-F476 WeakPolarHBondContact CA-O 3.17Å; F430-F476 PolarHBondContact N-O 2.92Å; F430-F476 PolarHBondContact O-N 3.17Å; I432-F476 HydrophobicContact CB-CD2 3.71Å; I432-F476 HydrophobicContact CB-CE2 3.73Å; I432-F476 HydrophobicContact CD1-CB 4.04Å; I432-F476 HydrophobicContact CD1-CD1 3.91Å; I432-F476 HydrophobicContact CD1-CD2 3.45Å; I432-F476 VanDerWaalsContact CD1-CD2 3.45Å; I432-F476 HydrophobicContact CD1-CE1 4.17Å; I432-F476 HydrophobicContact CD1-CE2 3.75Å; I432-F476 HydrophobicContact CD1-CG 3.52Å; I432-F476 HydrophobicContact CD1-CZ 4.09Å; I432-F476 HydrophobicContact CG1-CB 4.28Å; I432-F476 HydrophobicContact CG1-CD2 3.48Å; I432-F476 VanDerWaalsContact CG1-CD2 3.48Å; I432-F476 HydrophobicContact CG1-CE2 3.94Å; I432-F476 HydrophobicContact CG1-CG 3.95Å; I432-F476 HydrophobicContact CG2-CE2 4.38Å; C437-F476 HydrophobicContact CB-CE2 3.96Å; C437-F476 HydrophobicContact CB-CZ 3.89Å; V440-F476 HydrophobicContact CB-CE1 4.44Å; V440-F476 HydrophobicContact CG1-CE1 4.03Å; I441-F476 HydrophobicContact CD1-CZ 4.23Å; I441-F476 HydrophobicContact CG1-CE1 4.27Å; I441-F476 HydrophobicContact CG1-CZ 4.22Å; V459-F476 HydrophobicContact CG1-CD1 3.98Å; E460-F476 CarbonylContact O-C 3.55Å; E460-F476 WeakPolarHBondContact O-CA 3.28Å; I461-F476 HydrophobicContact CG1-CD1 4.3Å; I461-F476 HydrophobicContact CG1-CE1 3.74Å; I461-F476 HydrophobicContact CG1-CZ 3.9Å; K474-F476 HydrophobicContact CB-CD2 4.47Å; K474-F476 HydrophobicContact CB-CE2 4.11Å
477V88.9Confident83.5Confident12 Ų1266.5 Ų66.57%0.07337%0.366CS..EExtended strand (participates in β ladder)trans-117.6120.9-176.4170.20000107.3E427 T429 V459 E460 R479E427-V477 HydrophobicContact CG-CG1 3.78Å; E427-V477 WeakPolarHBondContact OE1-CG1 3.42Å; T429-V477 HydrophobicContact CG2-CG2 4.23Å; V459-V477 CarbonylContact C-O 3.6Å; V459-V477 WeakPolarHBondContact CA-O 3.22Å; E460-V477 PolarHBondContact N-O 3.22Å; E460-V477 PolarHBondContact O-N 3.1Å; V477-R479 HydrophobicContact CG1-CG 4.12Å
478I91.4Very high84.9Confident0 Ų061.9 Ų61.90%034%0.336CS..EExtended strand (participates in β ladder)trans-110.4121.5179-48.6-174.1000107.9E427 M428 F430 A457 V459 I485 A488 I492E427-I478 CarbonylContact C-O 3.59Å; E427-I478 WeakPolarHBondContact CA-O 3.1Å; M428-I478 PolarHBondContact N-O 3.48Å; M428-I478 PolarHBondContact O-N 3.38Å; F430-I478 HydrophobicContact CD2-CD1 3.78Å; F430-I478 HydrophobicContact CD2-CG1 4.03Å; F430-I478 HydrophobicContact CE2-CD1 3.63Å; F430-I478 HydrophobicContact CE2-CG1 4.07Å; A457-I478 HydrophobicContact CB-CG2 3.82Å; V459-I478 HydrophobicContact CG2-CG1 4.2Å; V459-I478 HydrophobicContact CG2-CG2 4.13Å; I478-I485 HydrophobicContact CB-CG2 4.37Å; I478-I485 HydrophobicContact CG2-CB 4.28Å; I478-I485 HydrophobicContact CG2-CG1 4.02Å; I478-I485 HydrophobicContact CG2-CG2 4.21Å; I478-A488 HydrophobicContact CD1-CB 4.27Å; I478-A488 HydrophobicContact CG2-CB 3.77Å; I478-I492 HydrophobicContact CD1-CD1 3.63Å; I478-I492 HydrophobicContact CG1-CD1 4.38Å
479R90.9Very high86.2Confident110 Ų11058.4 Ų58.442%0.41532%0.315SS..EExtended strand (participates in β ladder)trans-114.3140178.5-64.1175.1178.7162.1-2.1111.2G426 E427 A457 F458 V477G426-R479 CarbonylContact O-C 3.54Å; G426-R479 VanDerWaalsContact O-CA 3.26Å; G426-R479 WeakPolarHBondContact O-CA 3.19Å; E427-R479 HydrophobicContact CB-CG 4.11Å; E427-R479 HydrophobicContact CG-CG 3.93Å; E427-R479 IonicContact OE1-CZ 2.72Å; E427-R479 IonicContact OE1-NE 3.2Å; E427-R479 PolarHBondContact OE1-NE 3.11Å; E427-R479 IonicContact OE1-NH2 2.68Å; E427-R479 PolarHBondContact OE1-NH2 2.75Å; A457-R479 CarbonylContact C-O 3.58Å; A457-R479 VanDerWaalsContact CA-O 3.29Å; A457-R479 WeakPolarHBondContact CA-O 3.47Å; A457-R479 WeakPolarHBondContact CB-O 3.28Å; F458-R479 HydrophobicContact CB-CB 4.37Å; F458-R479 PolarHBondContact N-O 2.87Å; F458-R479 PolarHBondContact O-N 2.7Å; V477-R479 HydrophobicContact CG1-CG 4.12Å
480G88.7Confident87.5Confident22 Ų2262 Ų6223%0.22732%0.319CS..EExtended strand (participates in β ladder)trans160.4-167.3179.600000112.5G426G426-G480 WeakPolarHBondContact CA-O 3.34Å; G426-G480 PolarHBondContact N-O 2.93Å; G426-G480 PolarHBondContact O-N 2.98Å
481S89.5Confident88.5Confident46 Ų4660 Ų6032%0.32231%0.308SS..  trans-68.9158.716384.20000110.3Q483 Q484 I485S481-Q483 PolarHBondContact O-N 2.87Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 PolarHBondContact O-N 2.93Å; S481-Q484 WeakPolarHBondContact OG-CG 3.28Å; S481-Q484 PolarHBondContact OG-N 2.78Å; S481-I485 WeakPolarHBondContact O-CG1 3.16Å; S481-I485 PolarHBondContact O-N 3.08Å
482P86.8Confident89.2Confident92 Ų9255.2 Ų55.260%0.59728%0.277SS*.Hα-helixtrans-52.8-40177.8-28.436.1000113.3Q484 I485 D486P482-Q484 PolarHBondContact O-N 3.25Å; P482-I485 PolarHBondContact O-N 3.21Å; P482-D486 PolarHBondContact O-N 3.43Å
483Q89.3Confident89.5Confident164 Ų16452.1 Ų52.177%0.76626%0.259SS*.Hα-helixtrans-63.6-40.6176.3-66.6173.9-20.400112.7S481 H487S481-Q483 PolarHBondContact O-N 2.87Å; Q483-H487 WeakPolarHBondContact O-CB 3.43Å; Q483-H487 PolarHBondContact O-N 2.91Å
484Q92.7Very high89.7Confident66 Ų6655.1 Ų55.131%0.30827%0.274SS..Hα-helixtrans-68.3-39.3176.9-62.8174.7-4200110.8T455 G456 A457 S481 P482 A488T455-Q484 WeakPolarHBondContact O-CB 3.33Å; T455-Q484 VanDerWaalsContact O-CG 3.27Å; T455-Q484 WeakPolarHBondContact O-CG 3.44Å; G456-Q484 PolarHBondContact O-NE2 3.36Å; A457-Q484 HydrophobicContact CB-CB 4.03Å; S481-Q484 WeakPolarHBondContact O-CB 3.44Å; S481-Q484 PolarHBondContact O-N 2.93Å; S481-Q484 WeakPolarHBondContact OG-CG 3.28Å; S481-Q484 PolarHBondContact OG-N 2.78Å; P482-Q484 PolarHBondContact O-N 3.25Å; Q484-A488 WeakPolarHBondContact O-CB 3.34Å; Q484-A488 PolarHBondContact O-N 2.93Å
485I90.9Very high89.7Confident8 Ų853.9 Ų53.94%0.04127%0.268CS..Hα-helixtrans-64.9-47.6176.7-66.7168.9000110.9G426 M428 I478 S481 P482 H487 A488 K489G426-I485 VanDerWaalsContact C-CD1 3.5Å; M428-I485 HydrophobicContact CB-CG2 3.82Å; M428-I485 HydrophobicContact SD-CG2 4.07Å; I478-I485 HydrophobicContact CB-CG2 4.37Å; I478-I485 HydrophobicContact CG2-CB 4.28Å; I478-I485 HydrophobicContact CG2-CG1 4.02Å; I478-I485 HydrophobicContact CG2-CG2 4.21Å; S481-I485 WeakPolarHBondContact O-CG1 3.16Å; S481-I485 PolarHBondContact O-N 3.08Å; P482-I485 PolarHBondContact O-N 3.21Å; I485-H487 VanDerWaalsContact C-N 3.35Å; I485-H487 PolarHBondContact O-N 3.26Å; I485-A488 PolarHBondContact O-N 3.29Å; I485-K489 VanDerWaalsContact O-CB 3.28Å; I485-K489 WeakPolarHBondContact O-CB 3.33Å; I485-K489 PolarHBondContact O-N 3.19Å
486D89.5Confident89.7Confident84 Ų8453.8 Ų53.845%0.44927%0.268SS..Hα-helixtrans-63.6-39.7178.1-77.5-34.5000111.8P482 K489 Q490P482-D486 PolarHBondContact O-N 3.43Å; D486-K489 WeakPolarHBondContact O-CB 3.31Å; D486-K489 PolarHBondContact O-N 3.29Å; D486-Q490 WeakPolarHBondContact O-CG 3.31Å; D486-Q490 PolarHBondContact O-N 3.13Å
487H93.4Very high89.2Confident78 Ų7861.9 Ų61.936%0.36131%0.306SS..Hα-helixtrans-65.7-42.6175.2-173-161.9000111.8Q454 T455 Q483 I485 Q490 L491Q454-H487 PolarHBondContact O-CE1 2.94Å; T455-H487 HydrophobicContact CG2-CB 4.19Å; Q483-H487 WeakPolarHBondContact O-CB 3.43Å; Q483-H487 PolarHBondContact O-N 2.91Å; I485-H487 VanDerWaalsContact C-N 3.35Å; I485-H487 PolarHBondContact O-N 3.26Å; H487-Q490 PolarHBondContact O-N 3.03Å; H487-L491 PolarHBondContact O-N 3.19Å; H487-L491 VanDerWaalsContact O-N 3.12Å
488A92.7Very high88.2Confident0 Ų062.6 Ų62.60%032%0.316CS..Hα-helixtrans-66.6-37.1175.100000112.6I451 T455 A457 V459 I478 Q484 I485 L491 I492I451-A488 HydrophobicContact CG2-CB 4.21Å; T455-A488 VanDerWaalsContact CG2-CA 3.46Å; T455-A488 HydrophobicContact CG2-CB 3.78Å; A457-A488 HydrophobicContact CB-CB 3.8Å; V459-A488 HydrophobicContact CG2-CB 4.1Å; I478-A488 HydrophobicContact CD1-CB 4.27Å; I478-A488 HydrophobicContact CG2-CB 3.77Å; Q484-A488 WeakPolarHBondContact O-CB 3.34Å; Q484-A488 PolarHBondContact O-N 2.93Å; I485-A488 PolarHBondContact O-N 3.29Å; A488-L491 PolarHBondContact O-N 2.99Å; A488-I492 WeakPolarHBondContact O-CB 3.24Å; A488-I492 WeakPolarHBondContact O-CD1 3.48Å; A488-I492 WeakPolarHBondContact O-CG1 3.42Å; A488-I492 PolarHBondContact O-N 3.18Å
489K89.7Confident87.1Confident55 Ų5567.9 Ų67.924%0.23935%0.35CS..Hα-helixtrans-57.7-48.2172.7-171-161.8173-145.40110.6F430 I485 D486 I492 E493 L500F430-K489 HydrophobicContact CE1-CD 3.96Å; F430-K489 HydrophobicContact CE1-CG 4.07Å; F430-K489 HydrophobicContact CZ-CB 4.4Å; F430-K489 HydrophobicContact CZ-CD 3.94Å; F430-K489 HydrophobicContact CZ-CG 3.91Å; I485-K489 VanDerWaalsContact O-CB 3.28Å; I485-K489 WeakPolarHBondContact O-CB 3.33Å; I485-K489 PolarHBondContact O-N 3.19Å; D486-K489 WeakPolarHBondContact O-CB 3.31Å; D486-K489 PolarHBondContact O-N 3.29Å; K489-I492 PolarHBondContact O-N 3.32Å; K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 3.23Å; K489-E493 PolarHBondContact NZ-OE1 3.49Å; K489-E493 IonicContact NZ-OE2 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.37Å; K489-E493 PolarHBondContact O-N 3.08Å; K489-L500 HydrophobicContact CB-CD1 4.42Å; K489-L500 HydrophobicContact CG-CD1 3.63Å
490Q90.9Very high85.7Confident122 Ų12263 Ų6357%0.5733%0.332SS*.Hα-helixtrans-59.8-49.7177.9-71.4169.62100112.5D486 H487 I492 E493 E494D486-Q490 WeakPolarHBondContact O-CG 3.31Å; D486-Q490 PolarHBondContact O-N 3.13Å; H487-Q490 PolarHBondContact O-N 3.03Å; Q490-I492 PolarHBondContact O-N 3.01Å; Q490-E493 PolarHBondContact O-N 3.07Å; Q490-E494 WeakPolarHBondContact O-CB 3.33Å; Q490-E494 PolarHBondContact O-N 3.39Å
491L92Very high84.5Confident21 Ų2165.5 Ų65.511%0.1135%0.345CS..Hα-helixtrans-63.6-27.2178.4-67.8-176.2000113.3I451 Q454 T455 H487 A488 K495I451-L491 HydrophobicContact CG1-CB 4.41Å; I451-L491 HydrophobicContact CG2-CB 4.36Å; I451-L491 HydrophobicContact CG2-CD1 4.37Å; Q454-L491 HydrophobicContact CB-CD1 4.02Å; T455-L491 HydrophobicContact CG2-CD1 3.49Å; T455-L491 VanDerWaalsContact CG2-CD1 3.49Å; T455-L491 HydrophobicContact CG2-CG 4.31Å; H487-L491 PolarHBondContact O-N 3.19Å; H487-L491 VanDerWaalsContact O-N 3.12Å; A488-L491 PolarHBondContact O-N 2.99Å; L491-K495 VanDerWaalsContact O-CD 3.27Å; L491-K495 WeakPolarHBondContact O-CD 3.28Å; L491-K495 WeakPolarHBondContact O-CE 3.47Å; L491-K495 WeakPolarHBondContact O-CG 3.44Å; L491-K495 PolarHBondContact O-N 3.08Å
492I90.8Very high83.3Confident1 Ų167.3 Ų67.31%0.00536%0.356CS..Hα-helixtrans-78.1-45174.5-66.8165.5000110.4I432 V440 I451 V459 I478 A488 K489 Q490 E494 K495 I496 L500I432-I492 HydrophobicContact CD1-CG2 3.49Å; I432-I492 VanDerWaalsContact CD1-CG2 3.49Å; V440-I492 HydrophobicContact CG1-CG1 3.98Å; V440-I492 HydrophobicContact CG1-CG2 4.22Å; V440-I492 HydrophobicContact CG2-CG2 3.99Å; I451-I492 HydrophobicContact CD1-CG1 4.02Å; I451-I492 HydrophobicContact CG2-CG1 4.45Å; V459-I492 HydrophobicContact CG1-CD1 3.96Å; V459-I492 HydrophobicContact CG2-CD1 4.02Å; I478-I492 HydrophobicContact CD1-CD1 3.63Å; I478-I492 HydrophobicContact CG1-CD1 4.38Å; A488-I492 WeakPolarHBondContact O-CB 3.24Å; A488-I492 WeakPolarHBondContact O-CD1 3.48Å; A488-I492 WeakPolarHBondContact O-CG1 3.42Å; A488-I492 PolarHBondContact O-N 3.18Å; K489-I492 PolarHBondContact O-N 3.32Å; Q490-I492 PolarHBondContact O-N 3.01Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 3.31Å; I492-K495 PolarHBondContact O-N 3.42Å; I492-K495 VanDerWaalsContact O-N 3.13Å; I492-I496 HydrophobicContact CG2-CD1 4.44Å; I492-I496 HydrophobicContact CG2-CG2 4.38Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 WeakPolarHBondContact O-CG2 3.3Å; I492-I496 PolarHBondContact O-N 3.19Å; I492-L500 HydrophobicContact CB-CD1 3.99Å; I492-L500 HydrophobicContact CG2-CD1 3.75Å; I492-L500 HydrophobicContact CG2-CD2 3.93Å; I492-L500 HydrophobicContact CG2-CG 4.21Å
493E88.1Confident81.9Confident47 Ų4764.6 Ų64.622%0.2234%0.338CS..Hα-helixtrans-57.1-40.2175.7-75.2-179.6152.500111.6K489 Q490 E497 G498 L500K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 IonicContact NZ-OE1 3.23Å; K489-E493 PolarHBondContact NZ-OE1 3.49Å; K489-E493 IonicContact NZ-OE2 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.37Å; K489-E493 PolarHBondContact O-N 3.08Å; Q490-E493 PolarHBondContact O-N 3.07Å; E493-E497 PolarHBondContact O-N 3.14Å; E493-E497 VanDerWaalsContact O-N 3.07Å; E493-G498 PolarHBondContact O-N 3.39Å; E493-L500 HydrophobicContact CG-CB 4.01Å; E493-L500 HydrophobicContact CG-CD1 3.9Å; E493-L500 HydrophobicContact CG-CG 3.63Å; E493-L500 PolarHBondContact OE1-N 2.87Å
494E88Confident80Confident138 Ų13859.5 Ų59.565%0.64533%0.329SS*.Hα-helixtrans-61.1-49.6172.2-171.7-176.2-176.300111.9Q490 I492 I496 E497Q490-E494 WeakPolarHBondContact O-CB 3.33Å; Q490-E494 PolarHBondContact O-N 3.39Å; I492-E494 VanDerWaalsContact C-N 3.27Å; I492-E494 PolarHBondContact O-N 3.31Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 2.91Å; E494-E497 PolarHBondContact O-N 2.92Å
495K85.4Confident77.6Confident57 Ų5762.9 Ų62.925%0.24836%0.357CS..Hα-helixtrans-70.7-20.2-178.4-71.8167.7-161.5-65.70114.6N447 I451 L491 I492N447-K495 WeakPolarHBondContact OD1-CE 3.37Å; N447-K495 PolarHBondContact OD1-NZ 3.36Å; I451-K495 HydrophobicContact CD1-CD 3.63Å; I451-K495 HydrophobicContact CG1-CD 4.09Å; I451-K495 VanDerWaalsContact CG1-CE 3.49Å; L491-K495 VanDerWaalsContact O-CD 3.27Å; L491-K495 WeakPolarHBondContact O-CD 3.28Å; L491-K495 WeakPolarHBondContact O-CE 3.47Å; L491-K495 WeakPolarHBondContact O-CG 3.44Å; L491-K495 PolarHBondContact O-N 3.08Å; I492-K495 PolarHBondContact O-N 3.42Å; I492-K495 VanDerWaalsContact O-N 3.13Å
496I84.6Confident75.1Confident5 Ų565.5 Ų65.53%0.02639%0.386CS..Hα-helixtrans-102.1-1.6176.272.7-176000113I432 K436 V440 I492 E494 G498 L500I432-I496 HydrophobicContact CG2-CG2 3.97Å; K436-I496 HydrophobicContact CB-CB 4.25Å; K436-I496 HydrophobicContact CB-CG2 4.1Å; K436-I496 HydrophobicContact CD-CB 3.93Å; K436-I496 WeakPolarHBondContact CD-O 3.29Å; K436-I496 WeakPolarHBondContact CE-O 3.36Å; K436-I496 PolarHBondContact NZ-O 3.5Å; V440-I496 HydrophobicContact CG2-CG2 3.28Å; I492-I496 HydrophobicContact CG2-CD1 4.44Å; I492-I496 HydrophobicContact CG2-CG2 4.38Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 WeakPolarHBondContact O-CG2 3.3Å; I492-I496 PolarHBondContact O-N 3.19Å; E494-I496 VanDerWaalsContact C-N 3.3Å; E494-I496 PolarHBondContact O-N 2.91Å; I496-G498 VanDerWaalsContact C-N 3.28Å; I496-G498 WeakPolarHBondContact CD1-O 3.12Å; I496-G498 VanDerWaalsContact CG1-O 3.31Å; I496-G498 WeakPolarHBondContact CG1-O 3.39Å; I496-G498 PolarHBondContact O-N 3.45Å; I496-L500 HydrophobicContact CD1-CD2 3.58Å; I496-L500 HydrophobicContact CD1-CG 4.03Å
497E80Confident73.1Confident172 Ų17267.6 Ų67.680%0.80440%0.404SS*.THydrogen-bonded Turntrans45.653.3-176.2-60.3175.9167.900111.3E493 E494E493-E497 PolarHBondContact O-N 3.14Å; E493-E497 VanDerWaalsContact O-N 3.07Å; E494-E497 PolarHBondContact O-N 2.92Å
498G67.1Low70.3Confident27 Ų2768.3 Ų68.328%0.27843%0.432SS..SBendtrans176.9158-175.700000114.5E493 I496E493-G498 PolarHBondContact O-N 3.39Å; I496-G498 VanDerWaalsContact C-N 3.28Å; I496-G498 WeakPolarHBondContact CD1-O 3.12Å; I496-G498 VanDerWaalsContact CG1-O 3.31Å; I496-G498 WeakPolarHBondContact CG1-O 3.39Å; I496-G498 PolarHBondContact O-N 3.45Å
499P67.7Low67.5Low111 Ų11171.5 Ų71.572%0.72147%0.466SS*.PPolyproline II helixtrans-71.6140.2-176.729.5-35000112
500L62.2Low65.1Low8 Ų875.6 Ų75.64%0.04250%0.498CS..PPolyproline II helixtrans-81.8121.1171.7-77.4175.2000110.6F430 I432 K489 I492 E493 I496 P502F430-L500 HydrophobicContact CB-CB 4.32Å; F430-L500 HydrophobicContact CB-CD1 4.43Å; F430-L500 HydrophobicContact CB-CD2 4.1Å; F430-L500 HydrophobicContact CD1-CB 3.73Å; F430-L500 HydrophobicContact CD1-CD1 4.29Å; F430-L500 HydrophobicContact CE1-CB 4.34Å; F430-L500 HydrophobicContact CG-CB 4.24Å; F430-L500 HydrophobicContact CG-CD1 4.2Å; I432-L500 HydrophobicContact CD1-CD2 3.9Å; I432-L500 HydrophobicContact CG1-CD2 3.58Å; K489-L500 HydrophobicContact CB-CD1 4.42Å; K489-L500 HydrophobicContact CG-CD1 3.63Å; I492-L500 HydrophobicContact CB-CD1 3.99Å; I492-L500 HydrophobicContact CG2-CD1 3.75Å; I492-L500 HydrophobicContact CG2-CD2 3.93Å; I492-L500 HydrophobicContact CG2-CG 4.21Å; E493-L500 HydrophobicContact CG-CB 4.01Å; E493-L500 HydrophobicContact CG-CD1 3.9Å; E493-L500 HydrophobicContact CG-CG 3.63Å; E493-L500 PolarHBondContact OE1-N 2.87Å; I496-L500 HydrophobicContact CD1-CD2 3.58Å; I496-L500 HydrophobicContact CD1-CG 4.03Å; L500-P502 VanDerWaalsContact O-CD 3.3Å; L500-P502 WeakPolarHBondContact O-CD 3.46Å
501C64Low62.3Low74 Ų7473 Ų7350%0.550%0.504SS..EExtended strand (participates in β ladder)trans-78.2116.5171.3-610000109.8F430 S431F430-C501 WeakPolarHBondContact CA-O 3.17Å; S431-C501 PolarHBondContact N-O 3.48Å
502P62.9Low59.8Low84 Ų8478.6 Ų78.655%0.54554%0.542SS..EExtended strand (participates in β ladder)trans-73.3127.7176.130.3-33.6000110.2M428 F430 L500 G504M428-P502 HydrophobicContact CE-CB 3.98Å; F430-P502 HydrophobicContact CD1-CB 4.11Å; F430-P502 HydrophobicContact CE1-CB 4.06Å; L500-P502 VanDerWaalsContact O-CD 3.3Å; L500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-G504 PolarHBondContact O-N 2.94Å
503V58Low57.4Low35 Ų3583.6 Ų83.621%0.21258%0.583CS.*  trans-98.687.2177.3-177.40000107.8T429 P467 L475T429-V503 HydrophobicContact CG2-CB 4.29Å; T429-V503 PolarHBondContact O-N 3.16Å; P467-V503 HydrophobicContact CG-CG1 3.67Å; L475-V503 HydrophobicContact CD2-CB 4.24Å; L475-V503 HydrophobicContact CD2-CG1 4.28Å; L475-V503 HydrophobicContact CD2-CG2 3.81Å
504G49.2Very low55.1Low57 Ų5784.4 Ų84.459%0.58860%0.604SS**  trans-70.2143.3178.100000112.1P502 G506P502-G504 PolarHBondContact O-N 2.94Å; G504-G506 VanDerWaalsContact C-N 3.26Å; G504-G506 PolarHBondContact O-N 3.39Å
505P42.9Very low53.3Low136 Ų13684.3 Ų84.388%0.88362%0.615SS**  trans-74.379.8173.531.4-34.2000110.3
506G38.8Very low51.1Low64 Ų6491 Ų9166%0.6665%0.65SS**PPolyproline II helixtrans-73.3131.4171.600000111.1G504G504-G506 VanDerWaalsContact C-N 3.26Å; G504-G506 PolarHBondContact O-N 3.39Å
507P45.8Very low49Very low127 Ų12794 Ų9483%0.82568%0.682SS**PPolyproline II helixtrans-66.2143.3172.329.1-34.1000110.1G509P507-G509 PolarHBondContact O-N 3.49Å
508G35.5Very low47.3Very low93 Ų9391 Ų9196%0.95968%0.677SS**PPolyproline II helixtrans-57.5121.9-178.900000112.6
509G33.1Very low45.8Very low68 Ų6898.7 Ų98.770%0.70170%0.704SS**  trans-162.4138.3176.100000108.9P507P507-G509 PolarHBondContact O-N 3.49Å
510P39.7Very low44.8Very low140 Ų140102.2 Ų102.291%0.90971%0.71SS**  trans-93.5154.6-150.935.5-37.3000114.9
511G32.3Very low43.9Very low68 Ų68108 Ų10870%0.70175%0.748SS**  trans125.1129.515800000114.5
512P39.5Very low42.7Very low139 Ų139108 Ų10890%0.90376%0.76SS**  trans-80.8126.4178.332.3-32.6000111.3
513A39.6Very low42.2Very low105 Ų105108.7 Ų108.787%0.86877%0.765SS**  trans-105.489168.300000109.4
514G40.1Very low41.5Very low65 Ų65116.2 Ų116.267%0.6780%0.795SS**PPolyproline II helixtrans-69153.5173.600000112.1
515P50.2Low41.4Very low135 Ų135120.9 Ų120.988%0.87781%0.806SS**PPolyproline II helixtrans-67.9149.1175.1-11.626.7000111.7G517P515-G517 PolarHBondContact O-N 3.05Å
516M39Very low41.5Very low199 Ų199123.3 Ų123.398%0.9881%0.806SS**PPolyproline II helixtrans-52.9126.8-178.2-67.8-176175.800114
517G41.2Very low41.7Very low68 Ų68123.7 Ų123.770%0.70181%0.81SS**PPolyproline II helixtrans-103.3141.8150.300000109.7P515P515-G517 PolarHBondContact O-N 3.05Å
518P45.1Very low42.2Very low108 Ų108123.8 Ų123.870%0.70181%0.811SS**PPolyproline II helixtrans-95.4128.3-16736.1-34.8000114.2
519F36Very low42.8Very low189 Ų189125.9 Ų125.983%0.82981%0.807SS**  trans62.6145174-52.2-84.9000114.1
520H45.2Very low43.3Very low184 Ų184126.4 Ų126.485%0.85281%0.813SS**  cis-146.9157.740.1-71.7-109.3000111.8
521P44.1Very low43.7Very low130 Ų130124.5 Ų124.584%0.84481%0.809SS**  trans-99.8143.6-17936.7-32.2000115
522G39Very low44.6Very low73 Ų73127.1 Ų127.175%0.75381%0.814SS**  trans-168.2122.5170.200000111.3
523P51.6Low45.2Very low100 Ų100126 Ų12665%0.64981%0.806SS**  trans-107.6-173.4-165.812.710.3000115.2
524F43.9Very low45.4Very low192 Ų192130.6 Ų130.684%0.84281%0.809SS**  trans79.9139.3172.6-40.4-71.1000114.7
525N45.8Very low45.5Very low155 Ų155132.2 Ų132.283%0.82982%0.816SS**  cis-147.6169.513.3-166.919.8000112.9
526Q46.8Very low45Very low187 Ų187129.8 Ų129.887%0.87482%0.816SS**  trans-93.3163.4-172.8-52.1-177.723.900115.4
527G42.1Very low45.1Very low72 Ų72124 Ų12474%0.74281%0.808SS**  trans-174.6134.4163.700000113.4
528P56.2Low45.3Very low130 Ų130126.9 Ų126.984%0.84481%0.814SS**  trans-118.2174.8-15941.3-29.7000117.1
529P48.7Very low45.9Very low136 Ų136127.3 Ų127.388%0.88382%0.817SS**  trans-111.1163.7-173.340.8-33.6000117
530G44.1Very low46.4Very low80 Ų80123.3 Ų123.383%0.82581%0.81SS**  trans173.9158.2166.800000109.8
531A47.3Very low46.3Very low99 Ų99122.1 Ų122.182%0.81880%0.804SS**  cis-154.6173.5-400000109.3
532P51.1Low46Very low124 Ų124122.5 Ų122.581%0.80580%0.795SS**  trans-106.9-150.5-164.542.6-33.1000114.7
533P52.3Low46Very low114 Ų114128.5 Ų128.574%0.7480%0.796SS**  -119.1177-109.238.1-19.5000115.8
534H43.2Very low45.6Very low202 Ų202129 Ų12994%0.93580%0.8SS**  trans-146.8164.1166.7-117.7-73.7000114.1
535A42.8Very low45.4Very low99 Ų99125.8 Ų125.882%0.81880%0.797SS**  trans-103.6166.7-160.700000116.6
536G39Very low45.1Very low85 Ų85127.2 Ų127.288%0.87680%0.799SS**  trans141.1134.2150.100000117.5
537G41.5Very low44.6Very low78 Ų78121.2 Ų121.280%0.80479%0.787SS**  trans124.2119.4158.200000118.2
538P45.8Very low44.3Very low128 Ų128130.2 Ų130.283%0.83180%0.799SS**  trans-102.8170.1177.337.6-31.4000115.6
539P56.8Low43.5Very low116 Ų116126.3 Ų126.375%0.75378%0.783SS**  trans-99.7175.6-168.541.1-37.6000114.8
540P47.4Very low42.9Very low105 Ų105124.2 Ų124.268%0.68276%0.764SS**  -158.9178.2105.833.5-9.9000119
541H41.9Very low42.6Very low160 Ų160125 Ų12574%0.74175%0.753SS**  trans79.7150.1165.5-5990.9000120.3
542Q38.6Very low42.2Very low138 Ų138129.4 Ų129.465%0.64575%0.75SS**  cis-176.3162.2-35.1-123.7-179.87.100111.9
543Y40.1Very low41.6Very low199 Ų199129.1 Ų129.178%0.7875%0.748SS**  trans76.5159.6163.8-70-68.7000120.8
544P43Very low40.7Very low111 Ų111130.8 Ų130.872%0.72175%0.746SS**  -137.4-179.1-72.836.7-15000116.1
545P39.5Very low40.1Very low123 Ų123132.4 Ų132.480%0.79974%0.744SS**  trans-108.7168.8-175.140.2-33.1000117
546Q38.3Very low39.6Very low185 Ų185135 Ų13586%0.86474%0.74SS**  trans-131.4148.5-172.6-159.780.313.400113.4
547G37.8Very low39.5Very low61 Ų61136.6 Ų136.663%0.62973%0.734SS**  trans-150.8-177.8177.600000114.7
548W35.4Very low39.5Very low261 Ų261139 Ų13999%0.98974%0.735SS**  trans-150154.1-177.9-7786.1000114
549G38.3Very low39.3Very low49 Ų49137.5 Ų137.551%0.50573%0.734SS.*  trans-147.2-155.5-178.900000112.4G48G48-G549 CarbonylContact O-C 3.23Å; G48-G549 VanDerWaalsContact O-O 3.07Å
550N37.3Very low38.5Very low91 Ų91138.1 Ų138.149%0.48774%0.738SS.*  cis173.8131.9-13.2157.440.6000110.9G47 G48G47-N550 CarbonylContact C-O 3.17Å; G47-N550 VanDerWaalsContact CA-O 3.26Å; G47-N550 WeakPolarHBondContact CA-O 3.43Å; G48-N550 PolarHBondContact N-O 3.05Å; G48-N550 PolarHBondContact O-N 2.82Å
551T36.7Very low38Very low96 Ų96141.6 Ų141.659%0.58975%0.745SS**  trans-158154.7169.32.70000120G48 G49G48-T551 VanDerWaalsContact CA-OG1 3.31Å; G48-T551 WeakPolarHBondContact CA-OG1 3.29Å; G49-T551 PolarHBondContact N-OG1 2.95Å
552Y38.8Very low37.9Very low192 Ų192139.3 Ų139.375%0.75374%0.738SS**  trans-137.4174-165.9-114.9-92.1000111.1E554Y552-E554 HydrophobicContact CD1-CB 4.36Å
553P39.3Very low38Very low119 Ų119138.2 Ų138.277%0.77374%0.743SS**  -143.2173.276.735.7-15.6000114.7
554E32.8Very low38Very low148 Ų148136.5 Ų136.569%0.69275%0.747SS**  cis106.8127.83.8-161.8179.1122.300117.9Y552Y552-E554 HydrophobicContact CD1-CB 4.36Å
555W32Very low37.9Very low236 Ų236140.1 Ų140.189%0.89475%0.752SS**  trans-154.2157.5157.9-10498.6000109.6
556Q32.5Very low37.9Very low155 Ų155137.5 Ų137.572%0.72474%0.741SS**  trans-102.3156.9-145.5-59.4164-38.700118
557P36.3Very low37.8Very low117 Ų117133.7 Ų133.776%0.7674%0.741SS**  trans-114.9150.2156.538-28.2000113.8
558P42Very low37.8Very low128 Ų128135.1 Ų135.183%0.83175%0.746SS**  trans-95.5118.4-179.734-31.9000115.8
559A41.6Very low37.9Very low98 Ų98126.2 Ų126.281%0.8173%0.729SS**  trans45152137.600000124.3
560P39.3Very low37.9Very low129 Ų129128.5 Ų128.584%0.83874%0.742SS**  trans-113.6171.1-160.742.6-32.7000116.3
561H37.6Very low38.3Very low178 Ų178130.2 Ų130.282%0.82476%0.757SS**  trans-143.9130.5166.8-136.1-29.1000113.6
562D39.6Very low38.6Very low112 Ų112130.5 Ų130.560%0.59976%0.755SS**  trans14.3115.7166.8-70.7-79.3000123.5N564D562-N564 VanDerWaalsContact C-N 3.34Å; D562-N564 PolarHBondContact O-N 3.5Å
563P39.3Very low38.9Very low114 Ų114126.7 Ų126.774%0.7475%0.753SS**SBendtrans-74.9-10.2165.9-16.831.9000115.7K565 A566P563-K565 PolarHBondContact O-N 3.25Å; P563-A566 VanDerWaalsContact O-CB 3.29Å; P563-A566 WeakPolarHBondContact O-CB 3.39Å; P563-A566 PolarHBondContact O-N 2.91Å
564N40.3Very low39.1Very low164 Ų164126.7 Ų126.788%0.87775%0.747SS**THydrogen-bonded Turntrans-73.110-167.6-135.33.2000114.9D562D562-N564 VanDerWaalsContact C-N 3.34Å; D562-N564 PolarHBondContact O-N 3.5Å
565K41.7Very low39.9Very low187 Ų187122.9 Ų122.981%0.81374%0.74SS**THydrogen-bonded Turntrans-114-4.7173.3-139.6173.9-171.5178.90113.2P563 A567P563-K565 PolarHBondContact O-N 3.25Å; K565-A567 VanDerWaalsContact C-N 3.34Å; K565-A567 PolarHBondContact O-N 3.12Å
566A38.7Very low40.4Very low68 Ų68115 Ų11556%0.56273%0.725SS**G310 helixtrans-72.8-19.7-170.900000114.6P563 A568P563-A566 VanDerWaalsContact O-CB 3.29Å; P563-A566 WeakPolarHBondContact O-CB 3.39Å; P563-A566 PolarHBondContact O-N 2.91Å; A566-A568 PolarHBondContact O-N 3.38Å
567A36.6Very low40.8Very low105 Ų105115.5 Ų115.587%0.86872%0.721SS**G310 helixtrans-71.4-11.8-17700000114.8K565K565-A567 VanDerWaalsContact C-N 3.34Å; K565-A567 PolarHBondContact O-N 3.12Å
568A37.1Very low41.4Very low90 Ų90113 Ų11374%0.74471%0.71SS**G310 helixtrans-105.2-4-178.400000114.4A566A566-A568 PolarHBondContact O-N 3.38Å
569A38.9Very low41.7Very low75 Ų75109.8 Ų109.862%0.6269%0.694SS**SBendtrans-95.80.3-176.700000114T571A569-T571 PolarHBondContact O-N 2.69Å; A569-T571 VanDerWaalsContact O-N 3.15Å
570A38.4Very low41.8Very low96 Ų96112 Ų11279%0.79368%0.682SS**THydrogen-bonded Turntrans-78.410.6-173.400000115.1
571T45.9Very low42Very low128 Ų128111.4 Ų111.479%0.78566%0.664SS**THydrogen-bonded Turntrans-120.7-5.5-168.6-38.70000113.6A569A569-T571 PolarHBondContact O-N 2.69Å; A569-T571 VanDerWaalsContact O-N 3.15Å
572D42.3Very low42.5Very low102 Ų102106 Ų10655%0.54565%0.646SS.*  trans-136.498.2-173.9-151.3-31.2000113.1N574 A575D572-N574 PolarHBondContact O-N 2.72Å; D572-N574 VanDerWaalsContact O-N 3.11Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.83Å; D572-A575 PolarHBondContact O-N 2.8Å
573P45.7Very low42.8Very low112 Ų112108.3 Ų108.373%0.72765%0.653SS**Hα-helixtrans-66.8-10.5-178.727-33.7000113.7
574N43.4Very low42.9Very low119 Ų119111 Ų11164%0.63665%0.65SS**Hα-helixtrans-79.1-29.5-179.1-15213.5000112.6D572 W577 A578D572-N574 PolarHBondContact O-N 2.72Å; D572-N574 VanDerWaalsContact O-N 3.11Å; D572-N574 WeakPolarHBondContact OD1-CB 3.48Å; D572-N574 PolarHBondContact OD1-N 2.83Å; N574-W577 PolarHBondContact O-N 2.82Å; N574-A578 PolarHBondContact O-N 3.39Å
575A49Very low43.3Very low67 Ų67111.3 Ų111.355%0.55464%0.64SS**Hα-helixtrans-69.4-34.7-177.900000113.3D572 A579D572-A575 PolarHBondContact O-N 2.8Å; A575-A579 PolarHBondContact O-N 3.41Å
576A41.5Very low43.3Very low70 Ų70110 Ų11058%0.57964%0.636SS**Hα-helixtrans-68.1-34.7178.300000112.7A579 Y580A576-A579 PolarHBondContact O-N 3.43Å; A576-Y580 PolarHBondContact O-N 3.45Å; A576-Y580 VanDerWaalsContact O-N 3.13Å
577W41.5Very low43.1Very low167 Ų167115.2 Ų115.263%0.63365%0.649SS**Hα-helixtrans-68.4-39.9177.4-106.370.8000112.6N574 A579 Y580 Y581N574-W577 PolarHBondContact O-N 2.82Å; W577-A579 PolarHBondContact O-N 3.47Å; W577-Y580 PolarHBondContact O-N 2.86Å; W577-Y581 AromaticContact CE3-CD2 3.92Å; W577-Y581 HydrophobicContact CE3-CD2 3.92Å; W577-Y581 AromaticContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CH2-CE2 4.16Å; W577-Y581 HydrophobicContact CZ3-CD2 4.14Å; W577-Y581 AromaticContact CZ3-CE2 3.33Å; W577-Y581 HydrophobicContact CZ3-CE2 3.33Å; W577-Y581 PolarHBondContact O-N 2.86Å
578A50Low43.4Very low65 Ų65115.7 Ų115.754%0.53764%0.643SS.*Hα-helixtrans-62.1-41.7175.500000112.2N574 S582N574-A578 PolarHBondContact O-N 3.39Å; A578-S582 WeakPolarHBondContact O-CB 3.29Å; A578-S582 PolarHBondContact O-N 2.98Å; A578-S582 VanDerWaalsContact O-N 3.14Å
579A47.6Very low43.6Very low59 Ų59117.7 Ų117.749%0.48865%0.649SS.*Hα-helixtrans-62.8-45.6175.100000112A575 A576 W577 Y581 S582 H583A575-A579 PolarHBondContact O-N 3.41Å; A576-A579 PolarHBondContact O-N 3.43Å; W577-A579 PolarHBondContact O-N 3.47Å; A579-Y581 PolarHBondContact O-N 2.94Å; A579-S582 PolarHBondContact O-N 3.19Å; A579-S582 PolarHBondContact O-OG 3.25Å; A579-H583 PolarHBondContact O-N 2.8Å
580Y44Very low43.6Very low145 Ų145117.1 Ų117.157%0.56965%0.65SS**Hα-helixtrans-60.1-46.1178.7-174.6-100.4000112.7A576 W577 S582 H583A576-Y580 PolarHBondContact O-N 3.45Å; A576-Y580 VanDerWaalsContact O-N 3.13Å; W577-Y580 PolarHBondContact O-N 2.86Å; Y580-S582 PolarHBondContact O-N 3.37Å; Y580-H583 PolarHBondContact O-N 3.39Å
581Y44.1Very low43.4Very low117 Ų117118.8 Ų118.846%0.45965%0.653SS.*Hα-helixtrans-65-37.8177.8-98-101000113.2W577 A579 H583 Y584 Y585W577-Y581 AromaticContact CE3-CD2 3.92Å; W577-Y581 HydrophobicContact CE3-CD2 3.92Å; W577-Y581 AromaticContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CE3-CE2 3.59Å; W577-Y581 HydrophobicContact CH2-CE2 4.16Å; W577-Y581 HydrophobicContact CZ3-CD2 4.14Å; W577-Y581 AromaticContact CZ3-CE2 3.33Å; W577-Y581 HydrophobicContact CZ3-CE2 3.33Å; W577-Y581 PolarHBondContact O-N 2.86Å; A579-Y581 PolarHBondContact O-N 2.94Å; Y581-H583 PolarHBondContact O-N 3.3Å; Y581-Y584 PolarHBondContact O-N 2.87Å; Y581-Y585 HydrophobicContact CD1-CD2 4.31Å; Y581-Y585 HydrophobicContact CD1-CE2 4.15Å; Y581-Y585 HydrophobicContact CE1-CE2 4.12Å
582S47.4Very low43.4Very low63 Ų63119.4 Ų119.444%0.44166%0.656SS.*Hα-helixtrans-63.1-23.9-179.575.20000114.1A578 A579 Y580 Q586A578-S582 WeakPolarHBondContact O-CB 3.29Å; A578-S582 PolarHBondContact O-N 2.98Å; A578-S582 VanDerWaalsContact O-N 3.14Å; A579-S582 PolarHBondContact O-N 3.19Å; A579-S582 PolarHBondContact O-OG 3.25Å; Y580-S582 PolarHBondContact O-N 3.37Å; S582-Q586 PolarHBondContact O-NE2 2.92Å; S582-Q586 VanDerWaalsContact O-NE2 3.11Å
583H45.7Very low43.2Very low161 Ų161120.7 Ų120.775%0.74567%0.671SS**Hα-helixtrans-90.9-25.6-176.5-142.271.9000113.1A579 Y580 Y581A579-H583 PolarHBondContact O-N 2.8Å; Y580-H583 PolarHBondContact O-N 3.39Å; Y581-H583 PolarHBondContact O-N 3.3Å
584Y41.1Very low42.9Very low172 Ų172118.9 Ų118.968%0.67567%0.672SS**Hα-helixtrans-87.9-21.2-173.3-126.9-84.6000114.4Y581Y581-Y584 PolarHBondContact O-N 2.87Å
585Y49.1Very low42.8Very low169 Ų169119.1 Ų119.166%0.66368%0.68SS**SBendtrans-108.43-173.5-80.8-86.9000115.2Y581Y581-Y585 HydrophobicContact CD1-CD2 4.31Å; Y581-Y585 HydrophobicContact CD1-CE2 4.15Å; Y581-Y585 HydrophobicContact CE1-CE2 4.12Å
586Q40.9Very low42.4Very low159 Ų159120.9 Ų120.974%0.74370%0.695SS**  trans-99.715.7-173.9-108.9-174.5110.500115.6S582S582-Q586 PolarHBondContact O-NE2 2.92Å; S582-Q586 VanDerWaalsContact O-NE2 3.11Å
587Q34.6Very low42.3Very low178 Ų178123.3 Ų123.383%0.83270%0.704SS**PPolyproline II helixtrans-103119.2175.5-65.3-155.49.100112.4
588P43.6Very low42.2Very low115 Ų115119.9 Ų119.975%0.74771%0.711SS**PPolyproline II helixtrans-76.8144.4177.531.2-34000111.8G590P588-G590 PolarHBondContact O-N 2.88Å
589P41.6Very low41.8Very low132 Ų132123.2 Ų123.286%0.85773%0.728SS**PPolyproline II helixtrans-73.7121.6-17928.8-33.5000112.1
590G38.2Very low41.3Very low63 Ų63125.3 Ų125.365%0.64975%0.745SS**PPolyproline II helixtrans-75.4158.9174.200000113.8P588P588-G590 PolarHBondContact O-N 2.88Å
591P35.3Very low41.3Very low132 Ų132122.9 Ų122.986%0.85776%0.755SS**PPolyproline II helixtrans-84142.7-16931.5-33000113.8
592V45.4Very low41.3Very low140 Ų140123.1 Ų123.185%0.84877%0.771SS**  trans-104.1131174.1-68.50000111.7
593P37.6Very low41.1Very low130 Ų130126.3 Ų126.384%0.84479%0.79SS**  trans-89.5133.5173.333.6-31.3000111.5
594G39.7Very low40.7Very low73 Ų73123 Ų12375%0.75379%0.79SS**  trans-106.1173.7173.900000113.3
595P41.8Very low40.5Very low125 Ų125124.5 Ų124.581%0.81280%0.804SS**  trans-136.2127.1154.432.9-16.5000115.7
596A39.7Very low39.8Very low104 Ų104120 Ų12086%0.8681%0.808SS**  trans54.4143.8143.500000123.6
597P39.7Very low39.6Very low120 Ų120121.7 Ų121.778%0.77982%0.817SS**  trans-123.7171.4-171.843.4-30.2000117.6
598A39.6Very low39.9Very low95 Ų95118.6 Ų118.679%0.78581%0.812SS**  trans73.4164.1153.200000118.1
599P41.8Very low39.5Very low135 Ų135119.1 Ų119.188%0.87782%0.815SS**  cis-130-171.810.840.8-21.8000117.1
600A36Very low39.3Very low103 Ų103121.8 Ų121.885%0.85182%0.816SS**  trans-117.8165.9-160.800000115.7
601A43.7Very low39.3Very low95 Ų95124.1 Ų124.179%0.78582%0.82SS**  trans-179.2174.3151.100000110.5
602P45.6Very low39.3Very low121 Ų121123 Ų12379%0.78681%0.812SS**  -126.9-177.1-7540.2-23000112.8
603P41.6Very low39.2Very low131 Ų131122.6 Ų122.685%0.85181%0.813SS**  trans-104.5168.1-156.540-36.4000117.2
604A38.2Very low39.1Very low90 Ų90122.8 Ų122.874%0.74481%0.812SS**  trans-142.1119.2163.700000112.7
605Q37.1Very low38.8Very low204 Ų204122.9 Ų122.995%0.95381%0.813SS**  trans20.4135130.6-58.6171.4-14.800118.9
606G34Very low38.3Very low74 Ų74126.4 Ų126.476%0.76382%0.818SS**  cis151.4135.7-600000111.9
607E37.1Very low38.5Very low196 Ų196125 Ų12592%0.91680%0.802SS**  trans-153.5164.7176.9-101.2178.184.500111.4
608P41.4Very low38.5Very low112 Ų112125.6 Ų125.673%0.72780%0.799SS**PPolyproline II helixtrans-99.5174-140.6-3.225.7000117.1
609P33.8Very low38.7Very low126 Ų126128 Ų12882%0.81879%0.789SS**PPolyproline II helixtrans-88.4146.7-164.434.8-35.9000115.4
610Q37.6Very low39.2Very low189 Ų189126 Ų12688%0.88377%0.774SS**PPolyproline II helixtrans-95.1149.6164.9-79.3-157.4-58.400112.7
611P38Very low39.9Very low111 Ų111128.8 Ų128.872%0.72177%0.767SS**PPolyproline II helixtrans-78.5158.8-178.833.1-36.3000113.2
612P35.5Very low40.3Very low108 Ų108127.2 Ų127.270%0.70175%0.754SS**PPolyproline II helixtrans-79.9142.3-174.432.2-35.2000113T614P612-T614 PolarHBondContact O-N 3.48Å
613P43.4Very low40.2Very low133 Ų133128.5 Ų128.586%0.86474%0.744SS**PPolyproline II helixtrans-72.4125.4164.629.9-31.7000110.2
614T35.1Very low41.1Very low133 Ų133127.9 Ų127.982%0.81673%0.729SS**PPolyproline II helixtrans-87.9145.1-172.948.40000113.6P612P612-T614 PolarHBondContact O-N 3.48Å
615G35Very low42.3Very low76 Ų76130.7 Ų130.778%0.78473%0.727SS**  trans91.774.1147.500000117.3
616Q30.8Very low43.3Very low198 Ų198127.1 Ų127.193%0.92571%0.706SS**  trans-89.8116.2160.9-167.9173.618.100109
617S42.9Very low44.1Very low74 Ų74130.4 Ų130.452%0.51770%0.696SS.*  trans-73.1133.6-179.8-53.40000111.8Y619S617-Y619 WeakPolarHBondContact O-CD2 3.15Å; S617-Y619 WeakPolarHBondContact O-CE2 3.23Å; S617-Y619 PolarHBondContact O-N 2.93Å
618D40.8Very low45.4Very low133 Ų133128.6 Ų128.671%0.71169%0.685SS**  trans-84.791.2-177.4-163.4-19.5000111.1T620D618-T620 PolarHBondContact O-N 2.66Å; D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 2.99Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å
619Y43.5Very low46.3Very low147 Ų147131.5 Ų131.558%0.57669%0.686SS**THydrogen-bonded Turntrans-75.1-2.8-176.9-68-77.4000114.4S617 K621 A622 W623S617-Y619 WeakPolarHBondContact O-CD2 3.15Å; S617-Y619 WeakPolarHBondContact O-CE2 3.23Å; S617-Y619 PolarHBondContact O-N 2.93Å; Y619-K621 PolarHBondContact O-N 2.88Å; Y619-K621 VanDerWaalsContact O-N 3.1Å; Y619-A622 PolarHBondContact O-N 3.28Å; Y619-W623 VanDerWaalsContact O-CD1 3.29Å; Y619-W623 PolarHBondContact O-N 3.02Å
620T52.9Low47.2Very low93 Ų93129.9 Ų129.957%0.57167%0.67SS**Hα-helixtrans-50.2-42.3-173.2-54.70000112.6D618 W623 E624D618-T620 PolarHBondContact O-N 2.66Å; D618-T620 VanDerWaalsContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CB 3.44Å; D618-T620 PolarHBondContact OD1-N 2.99Å; D618-T620 PolarHBondContact OD1-OG1 3.36Å; T620-W623 PolarHBondContact O-N 3.35Å; T620-E624 PolarHBondContact O-N 3.48Å
621K50.2Low47.6Very low160 Ų160124.3 Ų124.370%0.69666%0.663SS**Hα-helixtrans-71.2-31.3-177.5-135.2177.6-174.2-178.50114.4Y619 W623 E625Y619-K621 PolarHBondContact O-N 2.88Å; Y619-K621 VanDerWaalsContact O-N 3.1Å; K621-W623 VanDerWaalsContact C-N 3.34Å; K621-E625 PolarHBondContact O-N 3.01Å
622A51.4Low48Very low62 Ų62126.3 Ų126.351%0.51266%0.663SS.*Hα-helixtrans-72.6-31.4177.200000111.6Y619 Y626Y619-A622 PolarHBondContact O-N 3.28Å; A622-Y626 PolarHBondContact O-N 2.84Å
623W43.6Very low48.2Very low149 Ų149129.1 Ų129.156%0.56467%0.666SS**Hα-helixtrans-71.5-38173.6-71110.4000112.6Y619 T620 K621 E625 Y626 Y627Y619-W623 VanDerWaalsContact O-CD1 3.29Å; Y619-W623 PolarHBondContact O-N 3.02Å; T620-W623 PolarHBondContact O-N 3.35Å; K621-W623 VanDerWaalsContact C-N 3.34Å; W623-E625 PolarHBondContact O-N 3.34Å; W623-Y626 HydrophobicContact CE3-CD1 4.21Å; W623-Y626 HydrophobicContact CZ3-CD1 4.2Å; W623-Y626 HydrophobicContact CZ3-CE1 4.47Å; W623-Y626 PolarHBondContact O-N 3.46Å; W623-Y627 HydrophobicContact CE3-CE2 4.35Å; W623-Y627 WeakPolarHBondContact O-CD2 3.24Å; W623-Y627 PolarHBondContact O-N 3.48Å; W623-Y627 VanDerWaalsContact O-N 3.11Å
624E61.1Low48.2Very low118 Ų118128.4 Ų128.455%0.55166%0.662SS**Hα-helixtrans-55.8-47.8172.2-73.5-175.5141.700111.8T620 Y626 K628T620-E624 PolarHBondContact O-N 3.48Å; E624-Y626 PolarHBondContact O-N 2.83Å; E624-K628 VanDerWaalsContact O-CB 3.22Å; E624-K628 WeakPolarHBondContact O-CB 3.18Å; E624-K628 PolarHBondContact O-N 3.3Å
625E63.3Low48.4Very low148 Ų148131.1 Ų131.169%0.69267%0.665SS**Hα-helixtrans-65.4-36.1179.2-70.8-168.8162.200113.1K621 W623 K629K621-E625 PolarHBondContact O-N 3.01Å; W623-E625 PolarHBondContact O-N 3.34Å; E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 PolarHBondContact O-N 2.94Å; E625-K629 VanDerWaalsContact O-N 3.13Å
626Y59Low48.5Very low130 Ų130135.8 Ų135.851%0.5167%0.667SS.*Hα-helixtrans-63.2-51.5177.1-179.6-102.3000112.1A622 W623 E624 K628 K629 I630A622-Y626 PolarHBondContact O-N 2.84Å; W623-Y626 HydrophobicContact CE3-CD1 4.21Å; W623-Y626 HydrophobicContact CZ3-CD1 4.2Å; W623-Y626 HydrophobicContact CZ3-CE1 4.47Å; W623-Y626 PolarHBondContact O-N 3.46Å; E624-Y626 PolarHBondContact O-N 2.83Å; Y626-K628 VanDerWaalsContact C-N 3.35Å; Y626-K628 PolarHBondContact O-N 3.29Å; Y626-K629 WeakPolarHBondContact O-CB 3.24Å; Y626-K629 PolarHBondContact O-N 2.8Å; Y626-K629 VanDerWaalsContact O-N 3.14Å; Y626-I630 HydrophobicContact CD1-CD1 4.09Å; Y626-I630 HydrophobicContact CE1-CD1 3.45Å; Y626-I630 VanDerWaalsContact CE1-CD1 3.45Å; Y626-I630 HydrophobicContact CE2-CD1 4.11Å; Y626-I630 VanDerWaalsContact CZ-CD1 3.47Å; Y626-I630 PolarHBondContact O-N 2.7Å
627Y49.5Very low48.7Very low143 Ų143133 Ų13356%0.56167%0.665SS**Hα-helixtrans-65.2-38.3178.5-80.9-73000112.4W623 K629 I630 G631W623-Y627 HydrophobicContact CE3-CE2 4.35Å; W623-Y627 WeakPolarHBondContact O-CD2 3.24Å; W623-Y627 PolarHBondContact O-N 3.48Å; W623-Y627 VanDerWaalsContact O-N 3.11Å; Y627-K629 PolarHBondContact O-N 3.46Å; Y627-I630 PolarHBondContact O-N 2.98Å; Y627-G631 PolarHBondContact O-N 2.99Å
628K64.9Low48.7Very low157 Ų157133.4 Ų133.468%0.68368%0.682SS**Hα-helixtrans-61.2-26.7175-159.7172.1-167.3173.10112.8E624 Y626 Q632E624-K628 VanDerWaalsContact O-CB 3.22Å; E624-K628 WeakPolarHBondContact O-CB 3.18Å; E624-K628 PolarHBondContact O-N 3.3Å; Y626-K628 VanDerWaalsContact C-N 3.35Å; Y626-K628 PolarHBondContact O-N 3.29Å; K628-Q632 PolarHBondContact O-NE2 3.48Å
629K59.8Low48.6Very low174 Ų174131.1 Ų131.176%0.75768%0.682SS**Hα-helixtrans-84.3-28.4177.4-162.4171.9-175176.50113.5E625 Y626 Y627E625-K629 WeakPolarHBondContact O-CB 3.45Å; E625-K629 PolarHBondContact O-N 2.94Å; E625-K629 VanDerWaalsContact O-N 3.13Å; Y626-K629 WeakPolarHBondContact O-CB 3.24Å; Y626-K629 PolarHBondContact O-N 2.8Å; Y626-K629 VanDerWaalsContact O-N 3.14Å; Y627-K629 PolarHBondContact O-N 3.46Å
630I53.6Low48.7Very low92 Ų92129.4 Ų129.447%0.47269%0.688SS.*Hα-helixtrans-78.4-39.1175.9-68.6178.3000111.4Y626 Y627 Q632 Q633Y626-I630 HydrophobicContact CD1-CD1 4.09Å; Y626-I630 HydrophobicContact CE1-CD1 3.45Å; Y626-I630 VanDerWaalsContact CE1-CD1 3.45Å; Y626-I630 HydrophobicContact CE2-CD1 4.11Å; Y626-I630 VanDerWaalsContact CZ-CD1 3.47Å; Y626-I630 PolarHBondContact O-N 2.7Å; Y627-I630 PolarHBondContact O-N 2.98Å; I630-Q632 PolarHBondContact O-N 2.88Å; I630-Q633 PolarHBondContact O-N 3.39Å
631G46Very low48.1Very low72 Ų72131 Ų13174%0.74270%0.701SS**THydrogen-bonded Turntrans-68.40.7178.600000116.2Y627Y627-G631 PolarHBondContact O-N 2.99Å
632Q45.1Very low47.6Very low152 Ų152132.5 Ų132.571%0.7171%0.71SS**THydrogen-bonded Turntrans-1046-178.5-82.6177.578.800114.3K628 I630K628-Q632 PolarHBondContact O-NE2 3.48Å; I630-Q632 PolarHBondContact O-N 2.88Å
633Q40.6Very low47.4Very low167 Ų167136.4 Ų136.478%0.7872%0.718SS**SBendtrans-82.4123.1177.2-153.7166.627.900110.6I630 Q635I630-Q633 PolarHBondContact O-N 3.39Å; Q633-Q635 PolarHBondContact O-N 2.97Å
634P42.8Very low47.6Very low119 Ų119135.6 Ų135.677%0.77372%0.724SS**PPolyproline II helixtrans-68.7127.2-170.725.2-33.7000112.6
635Q39.1Very low46.9Very low190 Ų190136.8 Ų136.889%0.88873%0.725SS**PPolyproline II helixtrans-65.7135.4177.8-76.3175.3-24.800112Q633Q633-Q635 PolarHBondContact O-N 2.97Å
636Q37.3Very low46.6Very low174 Ų174132.9 Ų132.981%0.81371%0.711SS**PPolyproline II helixtrans-72.5143.8169.7-73.3-176.4-14.700111G638Q636-G638 PolarHBondContact O-N 3.06Å
637P35.9Very low46.5Very low138 Ų138134.4 Ų134.490%0.89672%0.72SS**THydrogen-bonded Turntrans-70.2121175.4-10.926.2000110.7
638G41.8Very low46.9Very low84 Ų84130.4 Ų130.487%0.86672%0.717SS**THydrogen-bonded Turntrans136.4-11.1170.700000116.6Q636Q636-G638 PolarHBondContact O-N 3.06Å
639A40.3Very low46.1Very low85 Ų85130.4 Ų130.470%0.70271%0.713SS**  trans-86138.1177.100000112.2
640P44.2Very low46.1Very low110 Ų110127.9 Ų127.971%0.71470%0.703SS**  trans-66.7152.4171.429-34.4000111.2Q642P640-Q642 PolarHBondContact O-N 2.95Å; P640-Q642 VanDerWaalsContact O-N 3.09Å
641P41.1Very low46.8Very low128 Ų128130.6 Ų130.683%0.83171%0.714SS**  trans-67.6109.9-172.126.8-34.8000112.2
642Q39.3Very low47.3Very low190 Ų190131.4 Ų131.489%0.88870%0.695SS**  trans-65.9130.5162.8-90.9-173.9-17.600109.4P640P640-Q642 PolarHBondContact O-N 2.95Å; P640-Q642 VanDerWaalsContact O-N 3.09Å
643Q47.7Very low48Very low145 Ų145131.4 Ų131.468%0.67869%0.69SS**  trans-69.4132.1176.5-75-178.4-11.900110.9Y645Q643-Y645 HydrophobicContact CB-CE2 4.18Å; Q643-Y645 WeakPolarHBondContact O-CD2 3.49Å; Q643-Y645 PolarHBondContact O-N 3.42Å; Q643-Y645 VanDerWaalsContact O-N 3.11Å
644D47.7Very low49.3Very low132 Ų132130.7 Ų130.771%0.70668%0.684SS**  trans-82.588.3-174.7-165.8-10.7000110.9T646D644-T646 PolarHBondContact O-N 3.22Å; D644-T646 VanDerWaalsContact O-N 3.14Å; D644-T646 WeakPolarHBondContact OD1-CB 3.31Å; D644-T646 PolarHBondContact OD1-N 2.94Å; D644-T646 PolarHBondContact OD1-OG1 2.89Å
645Y46.6Very low50.3Low143 Ų143132.4 Ų132.456%0.56168%0.679SS**THydrogen-bonded Turntrans-69.6-2.1-179-68.9-77.1000114.2Q643 K647 A648 W649Q643-Y645 HydrophobicContact CB-CE2 4.18Å; Q643-Y645 WeakPolarHBondContact O-CD2 3.49Å; Q643-Y645 PolarHBondContact O-N 3.42Å; Q643-Y645 VanDerWaalsContact O-N 3.11Å; Y645-K647 VanDerWaalsContact C-N 3.32Å; Y645-K647 PolarHBondContact O-N 2.87Å; Y645-A648 PolarHBondContact O-N 3.45Å; Y645-A648 VanDerWaalsContact O-N 3.08Å; Y645-W649 PolarHBondContact O-N 3.32Å
646T56.8Low50.9Low66 Ų66127.8 Ų127.841%0.40566%0.658SS.*Hα-helixtrans-53-44.7-174.2-540000112.7D644 A648 W649 E650D644-T646 PolarHBondContact O-N 3.22Å; D644-T646 VanDerWaalsContact O-N 3.14Å; D644-T646 WeakPolarHBondContact OD1-CB 3.31Å; D644-T646 PolarHBondContact OD1-N 2.94Å; D644-T646 PolarHBondContact OD1-OG1 2.89Å; T646-A648 PolarHBondContact O-N 3.5Å; T646-W649 PolarHBondContact O-N 3.5Å; T646-E650 PolarHBondContact O-N 3.38Å; T646-E650 VanDerWaalsContact O-N 3.12Å
647K56.5Low51.6Low162 Ų162122.3 Ų122.370%0.70464%0.643SS**Hα-helixtrans-65.1-36.2178.4-82-175.1172.8179.50114.5Y645 W649 E650 E651Y645-K647 VanDerWaalsContact C-N 3.32Å; Y645-K647 PolarHBondContact O-N 2.87Å; K647-W649 VanDerWaalsContact C-N 3.29Å; K647-W649 PolarHBondContact O-N 3.24Å; K647-E650 PolarHBondContact O-N 3.04Å; K647-E651 PolarHBondContact O-N 3.25Å; K647-E651 VanDerWaalsContact O-N 3.11Å
648A57.6Low52.2Low58 Ų58122.2 Ų122.248%0.47963%0.63SS.*Hα-helixtrans-67.5-34.4-179.500000111.3Y645 T646 Y652Y645-A648 PolarHBondContact O-N 3.45Å; Y645-A648 VanDerWaalsContact O-N 3.08Å; T646-A648 PolarHBondContact O-N 3.5Å; A648-Y652 PolarHBondContact O-N 3.34Å
649W48.4Very low52.6Low158 Ų158123.9 Ų123.960%0.59862%0.623SS**Hα-helixtrans-75.4-35.1175.3-73.7109.1000113.4Y645 T646 K647 Y652 Y653Y645-W649 PolarHBondContact O-N 3.32Å; T646-W649 PolarHBondContact O-N 3.5Å; K647-W649 VanDerWaalsContact C-N 3.29Å; K647-W649 PolarHBondContact O-N 3.24Å; W649-Y652 HydrophobicContact CE3-CD1 4.16Å; W649-Y652 HydrophobicContact CE3-CG 4.44Å; W649-Y652 HydrophobicContact CZ3-CD1 4.2Å; W649-Y652 HydrophobicContact CZ3-CE1 4.4Å; W649-Y652 PolarHBondContact O-N 3.12Å; W649-Y653 PolarHBondContact O-N 2.94Å
650E60.8Low52.8Low121 Ų121123.9 Ų123.957%0.56562%0.623SS**Hα-helixtrans-59.5-48.4170.5-75.8-173.7135.100111.8T646 K647 Y652 Y653 K654T646-E650 PolarHBondContact O-N 3.38Å; T646-E650 VanDerWaalsContact O-N 3.12Å; K647-E650 PolarHBondContact O-N 3.04Å; E650-Y652 VanDerWaalsContact C-N 3.35Å; E650-Y652 PolarHBondContact O-N 3.32Å; E650-Y653 PolarHBondContact O-N 3.28Å; E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.46Å; E650-K654 PolarHBondContact O-N 3.34Å
651E66.9Low52.9Low148 Ų148124.4 Ų124.469%0.69262%0.624SS**Hα-helixtrans-62.9-40.4178.7-73.6-165.3162.400112.4K647 K654 K655K647-E651 PolarHBondContact O-N 3.25Å; K647-E651 VanDerWaalsContact O-N 3.11Å; E651-K654 PolarHBondContact O-N 3.31Å; E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.31Å; E651-K655 PolarHBondContact O-N 3.28Å
652Y57.6Low52.7Low89 Ų89121.3 Ų121.335%0.34962%0.616SS.*Hα-helixtrans-56.7-53.3176.6174.6-93.2000112A648 W649 E650 K655 Q656A648-Y652 PolarHBondContact O-N 3.34Å; W649-Y652 HydrophobicContact CE3-CD1 4.16Å; W649-Y652 HydrophobicContact CE3-CG 4.44Å; W649-Y652 HydrophobicContact CZ3-CD1 4.2Å; W649-Y652 HydrophobicContact CZ3-CE1 4.4Å; W649-Y652 PolarHBondContact O-N 3.12Å; E650-Y652 VanDerWaalsContact C-N 3.35Å; E650-Y652 PolarHBondContact O-N 3.32Å; Y652-K655 PolarHBondContact O-N 3.11Å; Y652-Q656 VanDerWaalsContact CZ-NE2 3.28Å; Y652-Q656 WeakPolarHBondContact O-CB 3.48Å; Y652-Q656 PolarHBondContact O-N 3.13Å; Y652-Q656 PolarHBondContact OH-NE2 3.13Å
653Y58.5Low52.4Low152 Ų152115.9 Ų115.960%0.59661%0.611SS**Hα-helixtrans-68.3-39.1-178.5-94.7-76.5000112.8W649 E650 K655 Q656 A657W649-Y653 PolarHBondContact O-N 2.94Å; E650-Y653 PolarHBondContact O-N 3.28Å; Y653-K655 VanDerWaalsContact C-N 3.28Å; Y653-K655 PolarHBondContact O-N 2.83Å; Y653-Q656 PolarHBondContact O-N 3.2Å; Y653-A657 PolarHBondContact O-N 2.95Å
654K69.1Low51.9Low152 Ų152112 Ų11266%0.66161%0.61SS**Hα-helixtrans-61.6-37.9177.4-163.9169.4-170.8169.70112E650 E651 Q658E650-K654 VanDerWaalsContact O-CB 3.26Å; E650-K654 WeakPolarHBondContact O-CB 3.46Å; E650-K654 PolarHBondContact O-N 3.34Å; E651-K654 PolarHBondContact O-N 3.31Å; K654-Q658 WeakPolarHBondContact O-CG 3.36Å; K654-Q658 PolarHBondContact O-N 2.87Å
655K63.7Low51.1Low155 Ų155112.6 Ų112.667%0.67462%0.621SS**Hα-helixtrans-73.8-35.7176.3-154167.1-169.9171.50112.1E651 Y652 Y653 Q658 V659E651-K655 VanDerWaalsContact O-CB 3.31Å; E651-K655 WeakPolarHBondContact O-CB 3.31Å; E651-K655 PolarHBondContact O-N 3.28Å; Y652-K655 PolarHBondContact O-N 3.11Å; Y653-K655 VanDerWaalsContact C-N 3.28Å; Y653-K655 PolarHBondContact O-N 2.83Å; K655-Q658 PolarHBondContact O-N 3.4Å; K655-V659 WeakPolarHBondContact O-CG2 3.47Å; K655-V659 PolarHBondContact O-N 3.39Å
656Q50.8Low50.6Low94 Ų94109.6 Ų109.644%0.43963%0.633SS.*Hα-helixtrans-70.7-36.3177.6-160.5162.593.800112.6Y652 Y653 Q658 V659 A660Y652-Q656 VanDerWaalsContact CZ-NE2 3.28Å; Y652-Q656 WeakPolarHBondContact O-CB 3.48Å; Y652-Q656 PolarHBondContact O-N 3.13Å; Y652-Q656 PolarHBondContact OH-NE2 3.13Å; Y653-Q656 PolarHBondContact O-N 3.2Å; Q656-Q658 PolarHBondContact O-N 3.1Å; Q656-V659 PolarHBondContact O-N 3.49Å; Q656-A660 PolarHBondContact O-N 3.31Å
657A53Low49.7Very low59 Ų59110.5 Ų110.549%0.48865%0.648SS.*Hα-helixtrans-66.3-32.6173.500000113.4Y653 A660 T661Y653-A657 PolarHBondContact O-N 2.95Å; A657-A660 PolarHBondContact O-N 3.04Å; A657-T661 PolarHBondContact O-OG1 3.46Å
658Q48.3Very low49Very low136 Ų136108.1 Ų108.164%0.63665%0.649SS**Hα-helixtrans-71.2-30.1175.4-76.4180-24.600113.3K654 K655 Q656 A660K654-Q658 WeakPolarHBondContact O-CG 3.36Å; K654-Q658 PolarHBondContact O-N 2.87Å; K655-Q658 PolarHBondContact O-N 3.4Å; Q656-Q658 PolarHBondContact O-N 3.1Å; Q658-A660 VanDerWaalsContact C-N 3.34Å
659V50.1Low48.3Very low118 Ų118111.7 Ų111.772%0.71567%0.667SS**Hα-helixtrans-75-25.2175.4178.30000111.8K655 Q656 T661K655-V659 WeakPolarHBondContact O-CG2 3.47Å; K655-V659 PolarHBondContact O-N 3.39Å; Q656-V659 PolarHBondContact O-N 3.49Å; V659-T661 VanDerWaalsContact C-N 3.35Å
660A45Very low47.7Very low86 Ų86107.6 Ų107.671%0.71167%0.674SS**THydrogen-bonded Turntrans-80.3-9.617900000114.6Q656 A657 Q658Q656-A660 PolarHBondContact O-N 3.31Å; A657-A660 PolarHBondContact O-N 3.04Å; Q658-A660 VanDerWaalsContact C-N 3.34Å
661T46.6Very low46.8Very low120 Ų120107.4 Ų107.474%0.73669%0.686SS**SBendtrans-123.94.4-166.946.90000115.5A657 V659A657-T661 PolarHBondContact O-OG1 3.46Å; V659-T661 VanDerWaalsContact C-N 3.35Å
662G35.7Very low45.3Very low63 Ų63108.7 Ų108.765%0.64969%0.692SS**  trans-152.1124.7179.500000116.1
663G33.8Very low44.7Very low77 Ų77108.3 Ų108.379%0.79470%0.7SS**  trans11778.8147.800000118.9
664G35.8Very low44Very low63 Ų63106.5 Ų106.565%0.64970%0.701SS**  61.8139.4129.300000121.6G666G664-G666 PolarHBondContact O-N 3.05Å
665P32.7Very low43Very low145 Ų145104.9 Ų104.994%0.94269%0.692SS**THydrogen-bonded Turntrans-73.3110.1173.831.1-32.8000110.9
666G35.6Very low42.6Very low79 Ų79100.6 Ų100.681%0.81468%0.681SS**THydrogen-bonded Turntrans157.4-8.7170.800000118.4G664G664-G666 PolarHBondContact O-N 3.05Å
667A38.4Very low42.7Very low86 Ų8699.4 Ų99.471%0.71169%0.687SS**  trans-85.8136.1179.100000112.2
668P40Very low42.9Very low111 Ų11199.3 Ų99.372%0.72169%0.686SS**  trans-66.8151.917129.7-34.4000110.5G670P668-G670 PolarHBondContact O-N 3.07Å
669P43.3Very low43Very low134 Ų13499.9 Ų99.987%0.8768%0.683SS**  trans-63.2109.2-179.525.8-33.6000110.3
670G37.2Very low43.6Very low72 Ų7296.4 Ų96.474%0.74267%0.667SS**PPolyproline II helixtrans-59.3138.7176.300000111.1P668 Q672P668-G670 PolarHBondContact O-N 3.07Å; G670-Q672 PolarHBondContact O-N 3.33Å
671S39.9Very low44.4Very low117 Ų11797.5 Ų97.582%0.81866%0.657SS**PPolyproline II helixtrans-47.7130179.551.10000112.5
672Q36.1Very low45.1Very low174 Ų17497.4 Ų97.481%0.81364%0.644SS**PPolyproline II helixtrans-54.3141.1167.7-89.3-132.6-47.200110.8G670 D674G670-Q672 PolarHBondContact O-N 3.33Å; Q672-D674 PolarHBondContact O-N 3.38Å
673P46.1Very low46.1Very low81 Ų81101.4 Ų101.453%0.52664%0.64SS.*PPolyproline II helixtrans-60.6126.2168.2-18.531.1000110Y675P673-Y675 HydrophobicContact CB-CD2 4.48Å; P673-Y675 HydrophobicContact CB-CE2 3.87Å; P673-Y675 HydrophobicContact CG-CE2 4.37Å; P673-Y675 WeakPolarHBondContact O-CD2 3.27Å; P673-Y675 WeakPolarHBondContact O-CE2 3.2Å; P673-Y675 PolarHBondContact O-N 3.19Å
674D44Very low47.5Very low114 Ų114105.4 Ų105.461%0.6163%0.632SS**  trans-80.5100.1177.8-173.22.4000110.6Q672 S676Q672-D674 PolarHBondContact O-N 3.38Å; D674-S676 PolarHBondContact O-N 3.13Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.94Å; D674-S676 PolarHBondContact OD1-OG 3.12Å
675Y47.1Very low48.7Very low119 Ų119108.8 Ų108.847%0.46763%0.63SS.*THydrogen-bonded Turntrans-78.51.1177.5-64.6-81.4000113.5P673 A677 A678 W679P673-Y675 HydrophobicContact CB-CD2 4.48Å; P673-Y675 HydrophobicContact CB-CE2 3.87Å; P673-Y675 HydrophobicContact CG-CE2 4.37Å; P673-Y675 WeakPolarHBondContact O-CD2 3.27Å; P673-Y675 WeakPolarHBondContact O-CE2 3.2Å; P673-Y675 PolarHBondContact O-N 3.19Å; Y675-A677 PolarHBondContact O-N 2.94Å; Y675-A678 PolarHBondContact O-N 2.9Å; Y675-A678 VanDerWaalsContact O-N 3.13Å; Y675-W679 PolarHBondContact O-N 3.13Å
676S56.3Low49.4Very low65 Ų65105.7 Ų105.746%0.45560%0.603SS.*Hα-helixtrans-57.7-36.2-177.3-56.60000112.6D674 A680D674-S676 PolarHBondContact O-N 3.13Å; D674-S676 WeakPolarHBondContact OD1-CB 3.47Å; D674-S676 PolarHBondContact OD1-N 2.94Å; D674-S676 PolarHBondContact OD1-OG 3.12Å; S676-A680 WeakPolarHBondContact O-CB 3.31Å; S676-A680 PolarHBondContact O-N 2.96Å
677A52.2Low50.1Low68 Ų68104.6 Ų104.656%0.56259%0.586SS**Hα-helixtrans-65.4-46.217600000112.6Y675 A680 E681Y675-A677 PolarHBondContact O-N 2.94Å; A677-A680 PolarHBondContact O-N 3.38Å; A677-E681 PolarHBondContact O-N 2.83Å
678A57.2Low50.8Low57 Ų57104 Ų10447%0.47158%0.581SS.*Hα-helixtrans-65.1-41.1179.600000111.9Y675 E681 Y682Y675-A678 PolarHBondContact O-N 2.9Å; Y675-A678 VanDerWaalsContact O-N 3.13Å; A678-E681 PolarHBondContact O-N 2.91Å; A678-Y682 PolarHBondContact O-N 3.35Å
679W50.2Low51Low149 Ų149108 Ų10856%0.56458%0.583SS**Hα-helixtrans-65.9-39173.2-78.3109.3000112.5Y675 E681 Y682 Y683Y675-W679 PolarHBondContact O-N 3.13Å; W679-E681 VanDerWaalsContact C-N 3.3Å; W679-E681 PolarHBondContact O-N 3.31Å; W679-Y682 HydrophobicContact CE3-CD1 4.06Å; W679-Y682 HydrophobicContact CZ3-CD1 4.04Å; W679-Y682 HydrophobicContact CZ3-CE1 4.17Å; W679-Y682 PolarHBondContact O-N 3.21Å; W679-Y683 HydrophobicContact CE3-CD2 4.47Å; W679-Y683 HydrophobicContact CE3-CE2 4.05Å; W679-Y683 WeakPolarHBondContact O-CD2 3.29Å; W679-Y683 PolarHBondContact O-N 2.86Å
680A61.7Low51.1Low45 Ų45110.8 Ų110.837%0.37258%0.578SS.*Hα-helixtrans-69-24.6175.900000113.6S676 A677 R684S676-A680 WeakPolarHBondContact O-CB 3.31Å; S676-A680 PolarHBondContact O-N 2.96Å; A677-A680 PolarHBondContact O-N 3.38Å; A680-R684 WeakPolarHBondContact O-CB 3.37Å; A680-R684 WeakPolarHBondContact O-CG 3.05Å; A680-R684 PolarHBondContact O-N 3.43Å; A680-R684 PolarHBondContact O-NE 2.88Å
681E61.6Low51.6Low109 Ų109109.6 Ų109.651%0.50957%0.566SS.*Hα-helixtrans-78.9-42.4169.9-74.6-172.1159.600112.2A677 A678 W679 Y683 R684 Q685A677-E681 PolarHBondContact O-N 2.83Å; A678-E681 PolarHBondContact O-N 2.91Å; W679-E681 VanDerWaalsContact C-N 3.3Å; W679-E681 PolarHBondContact O-N 3.31Å; E681-Y683 PolarHBondContact O-N 3.42Å; E681-R684 PolarHBondContact O-N 2.78Å; E681-Q685 PolarHBondContact O-N 3.03Å
682Y63.1Low51.5Low117 Ų117112.8 Ų112.846%0.45957%0.568SS.*Hα-helixtrans-55.7-50.4173.8176-96.6000111.9A678 W679 R684 Q685 Q686A678-Y682 PolarHBondContact O-N 3.35Å; W679-Y682 HydrophobicContact CE3-CD1 4.06Å; W679-Y682 HydrophobicContact CZ3-CD1 4.04Å; W679-Y682 HydrophobicContact CZ3-CE1 4.17Å; W679-Y682 PolarHBondContact O-N 3.21Å; Y682-R684 PolarHBondContact O-N 3.11Å; Y682-Q685 PolarHBondContact O-N 3.16Å; Y682-Q686 PolarHBondContact O-N 3.4Å; Y682-Q686 PolarHBondContact OH-NE2 2.99Å
683Y56.1Low51.5Low147 Ų147110.4 Ų110.458%0.57657%0.566SS**Hα-helixtrans-68.2-32177.1-82.4-71.2000113.1W679 E681 A687W679-Y683 HydrophobicContact CE3-CD2 4.47Å; W679-Y683 HydrophobicContact CE3-CE2 4.05Å; W679-Y683 WeakPolarHBondContact O-CD2 3.29Å; W679-Y683 PolarHBondContact O-N 2.86Å; E681-Y683 PolarHBondContact O-N 3.42Å; Y683-A687 VanDerWaalsContact O-CB 3.29Å; Y683-A687 WeakPolarHBondContact O-CB 3.49Å; Y683-A687 PolarHBondContact O-N 2.73Å
684R62.7Low51.1Low162 Ų162112.6 Ų112.661%0.61158%0.579SS**Hα-helixtrans-66-40.5171.7-92.3-178.1-71.2174.52112.5A680 E681 Y682 A687 A688A680-R684 WeakPolarHBondContact O-CB 3.37Å; A680-R684 WeakPolarHBondContact O-CG 3.05Å; A680-R684 PolarHBondContact O-N 3.43Å; A680-R684 PolarHBondContact O-NE 2.88Å; E681-R684 PolarHBondContact O-N 2.78Å; Y682-R684 PolarHBondContact O-N 3.11Å; R684-A687 PolarHBondContact O-N 3.17Å; R684-A688 WeakPolarHBondContact O-CB 3.4Å; R684-A688 PolarHBondContact O-N 3.28Å
685Q61.1Low50.8Low134 Ų134109.8 Ų109.863%0.62658%0.577SS**Hα-helixtrans-69.1-39177.2-72.3-176.422.300111.7E681 Y682 A688 Y689E681-Q685 PolarHBondContact O-N 3.03Å; Y682-Q685 PolarHBondContact O-N 3.16Å; Q685-A688 PolarHBondContact O-N 3.32Å; Q685-Y689 WeakPolarHBondContact O-CB 3.36Å; Q685-Y689 PolarHBondContact O-N 3.29Å
686Q47.7Very low50.3Low80 Ų80111.1 Ų111.137%0.37460%0.601SS.*Hα-helixtrans-65.1-41.7171.7-95.1177.524.800112.9Y682 A688 Y689 Y690Y682-Q686 PolarHBondContact O-N 3.4Å; Y682-Q686 PolarHBondContact OH-NE2 2.99Å; Q686-A688 VanDerWaalsContact C-N 3.3Å; Q686-A688 PolarHBondContact O-N 3.07Å; Q686-Y689 PolarHBondContact O-N 2.65Å; Q686-Y689 VanDerWaalsContact O-N 3.16Å; Q686-Y690 WeakPolarHBondContact O-CD2 3.26Å; Q686-Y690 PolarHBondContact O-N 3.35Å; Q686-Y690 VanDerWaalsContact O-N 3.12Å
687A50.3Low49.4Very low55 Ų55111.4 Ų111.446%0.45561%0.614SS.*Hα-helixtrans-63-36.2173.900000112.2Y683 R684 G691Y683-A687 VanDerWaalsContact O-CB 3.29Å; Y683-A687 WeakPolarHBondContact O-CB 3.49Å; Y683-A687 PolarHBondContact O-N 2.73Å; R684-A687 PolarHBondContact O-N 3.17Å; A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 2.91Å
688A52.4Low48.5Very low73 Ų73111.7 Ų111.760%0.60362%0.624SS**Hα-helixtrans-69-31.4173.700000113R684 Q685 Q686R684-A688 WeakPolarHBondContact O-CB 3.4Å; R684-A688 PolarHBondContact O-N 3.28Å; Q685-A688 PolarHBondContact O-N 3.32Å; Q686-A688 VanDerWaalsContact C-N 3.3Å; Q686-A688 PolarHBondContact O-N 3.07Å
689Y43.7Very low47.5Very low195 Ų195115.2 Ų115.277%0.76564%0.642SS**Hα-helixtrans-74.1-30.8178.7-156.8-91.8000113.1Q685 Q686Q685-Y689 WeakPolarHBondContact O-CB 3.36Å; Q685-Y689 PolarHBondContact O-N 3.29Å; Q686-Y689 PolarHBondContact O-N 2.65Å; Q686-Y689 VanDerWaalsContact O-N 3.16Å
690Y46.9Very low46.8Very low193 Ų193117.1 Ų117.176%0.75766%0.657SS**Hα-helixtrans-105.6-5.1178.3-70.9-79.4000114.4Q686Q686-Y690 WeakPolarHBondContact O-CD2 3.26Å; Q686-Y690 PolarHBondContact O-N 3.35Å; Q686-Y690 VanDerWaalsContact O-N 3.12Å
691G47Very low46Very low48 Ų48120.5 Ų120.550%0.49568%0.675SS.*  trans-90.20.8-17100000116.8A687 T693A687-G691 WeakPolarHBondContact O-CA 3.31Å; A687-G691 PolarHBondContact O-N 2.91Å; G691-T693 PolarHBondContact O-N 2.78Å
692Q37.5Very low44.8Very low184 Ų184121.4 Ų121.486%0.8669%0.691SS**  trans-76.488.7170.6-84.5-169.435.700110.8
693T35.8Very low43.5Very low124 Ų124121.2 Ų121.276%0.76171%0.706SS**PPolyproline II helixtrans-77.8139.316951.60000111.1G691G691-T693 PolarHBondContact O-N 2.78Å
694P39Very low42.5Very low126 Ų126120.9 Ų120.982%0.81872%0.719SS**PPolyproline II helixtrans-88.5118.1148.5-7.926.4000108.2
695G36.7Very low41.4Very low55 Ų55122.4 Ų122.457%0.56773%0.734SS**PPolyproline II helixtrans-61.5161.9165.300000111.4G697G695-G697 PolarHBondContact O-N 3.32Å
696P36Very low40.1Very low148 Ų148125.2 Ų125.296%0.96175%0.747SS**SBendtrans-68.797.3-175.328.2-34.5000111.2
697G37.4Very low39.6Very low70 Ų70124.6 Ų124.672%0.72276%0.762SS**  trans-17136.9-169.500000118.6G695G695-G697 PolarHBondContact O-N 3.32Å
698G34.3Very low39.1Very low75 Ų75130.2 Ų130.277%0.77378%0.779SS**  trans71.3-177.7169.700000115.8
699P37.1Very low38.4Very low131 Ų131133 Ų13385%0.85178%0.779SS**  cis-112.8154.4929.7-12.8000115.2
700Q33.7Very low38.1Very low188 Ų188132.1 Ų132.188%0.87978%0.782SS**PPolyproline II helixtrans-78.8141.8171.1-71.8174.2-97.800112.3
701P45.1Very low37.8Very low116 Ų116127 Ų12775%0.75378%0.78SS**PPolyproline II helixtrans-84.9158.2147.430.1-23.9000111.5
702P37.3Very low37.5Very low129 Ų129130 Ų13084%0.83879%0.789SS**PPolyproline II helixtrans-95.3164.1-144.135.8-38000116.5
703S36Very low37.6Very low112 Ų112129.9 Ų129.978%0.78379%0.788SS**PPolyproline II helixtrans-82.1159.1172.244.20000114
704T34.8Very low38.1Very low140 Ų140127.9 Ų127.986%0.85978%0.784SS**  trans-39.4136.5179.428.20000118
705Q38.9Very low38.3Very low195 Ų195128.9 Ų128.991%0.91178%0.782SS**  trans-146.8157140.9-148.7166.594.800112.2
706Q35.2Very low38.5Very low193 Ų193129.7 Ų129.790%0.90279%0.791SS**  trans-85.7158.6-165.4-60.9160.1-31.900113.6
707G36.3Very low39Very low66 Ų66132.7 Ų132.768%0.6879%0.785SS**  trans143.2107.4137.700000118.2
708Q38.9Very low39.1Very low174 Ų174137.4 Ų137.481%0.81379%0.788SS**  trans66.2151.3144.1-55.9-177.213.400117.6
709Q38.3Very low39.6Very low130 Ų130140.3 Ų140.361%0.60779%0.785SS**  cis-166140.2-12.2-110.9176.56700106.7
710Q38.3Very low40Very low178 Ų178142.1 Ų142.183%0.83278%0.782SS**  trans59.1148.9155.8-63.116614.400117.6
711A40.8Very low40.4Very low86 Ų86144.9 Ų144.971%0.71180%0.801SS**  cis-156.5-171.5-19.800000105.4
712T41Very low40.2Very low111 Ų111146.3 Ų146.368%0.68180%0.803SS**  cis-156167.28.3-24.60000107.6
713E39.2Very low40.3Very low181 Ų181147.2 Ų147.285%0.84680%0.802SS**  trans37.8143.6145.9-75.4163.1147.400122.2
714A44.8Very low40.5Very low82 Ų82149.2 Ų149.268%0.67880%0.803SS**  cis-167.8-172.3-2.400000109.7
715N43.2Very low40.9Very low146 Ų146149.7 Ų149.778%0.78180%0.799SS**  trans75.693.4171.2-61.2-19.3000117.3Y717N715-Y717 HydrophobicContact CB-CE1 4.45Å
716G42.3Very low41Very low73 Ų73146.9 Ų146.975%0.75379%0.792SS**  trans-101.1157.6143.300000110.1
717Y45.8Very low41.4Very low211 Ų211143.8 Ų143.883%0.82779%0.785SS**  trans-149.4122.5155.127-96.8000109.8N715N715-Y717 HydrophobicContact CB-CE1 4.45Å
718E40.7Very low41.8Very low168 Ų168149.4 Ų149.479%0.78579%0.793SS**  trans-72.9160.1168.4-170.6-174133.100110
719L43.6Very low42Very low137 Ų137147.5 Ų147.572%0.71779%0.791SS**  trans148.7126135.2-76.4164.4000113.6
720H45.3Very low42.3Very low169 Ų169148.9 Ų148.978%0.78281%0.806SS**  trans45.899.8144.9-69.280000120.5
721L42.5Very low42.6Very low245 Ų245146.3 Ų146.3100%1.28380%0.804SS**  -160.50102.7-111.2158000111.6

Retrieved 721 of 721 residues in 227.1 ms (Link to these results)