A0A087XCD3_POEFO Loading...

Elongin-A

AlphaFold DB , UniProt , Accession A0A087XCD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 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
1M49.3Very low43.1Very low230 Ų230148 Ų148100%1.13375%0.746SS**  073.60-62.2161.5-179.400109.4
2F38.3Very low42.8Very low179 Ų179149.4 Ų149.479%0.78574%0.744SS**  trans-132-20.4-176.2-90.3-79.4000115.2G4F2-G4 VanDerWaalsContact C-N 3.35Å; F2-G4 PolarHBondContact O-N 3.15Å
3A42.5Very low42.7Very low94 Ų94143.9 Ų143.978%0.77773%0.727SS**Hα-helixtrans-65.8-31.517900000114.1V5A3-V5 PolarHBondContact O-N 3.06Å
4G40.2Very low42.5Very low53 Ų53137.2 Ų137.255%0.54671%0.712SS.*Hα-helixtrans-73.3-20.6-173.400000115.8F2F2-G4 VanDerWaalsContact C-N 3.35Å; F2-G4 PolarHBondContact O-N 3.15Å
5V47.8Very low42.2Very low101 Ų101133.7 Ų133.761%0.61270%0.704SS**Hα-helixtrans-78.1-34-173.2-173.40000111.7A3A3-V5 PolarHBondContact O-N 3.06Å
6F42.8Very low41.9Very low171 Ų171132.1 Ų132.175%0.7570%0.701SS**Hα-helixtrans-69.2-33.1-178.1-89.1-90.4000113.6F8F6-F8 PolarHBondContact O-N 3.5Å
7S44.7Very low41.7Very low86 Ų86133.9 Ų133.960%0.60171%0.71SS**Hα-helixtrans-65.2-37.6178.1-68.50000113.4
8F40.9Very low41.7Very low168 Ų168136.7 Ų136.774%0.73772%0.715SS**Hα-helixtrans-70.7-37.2-178.8-95.5-90.6000112.9F6 W10 M11 F12F6-F8 PolarHBondContact O-N 3.5Å; F8-W10 VanDerWaalsContact C-N 3.34Å; F8-W10 PolarHBondContact O-N 3.44Å; F8-M11 PolarHBondContact O-N 3.4Å; F8-F12 PolarHBondContact O-N 3.39Å
9Y40.6Very low41.4Very low176 Ų176138.4 Ų138.469%0.6972%0.719SS**Hα-helixtrans-67-35.9-179-146.3-93000112.3F12 C13Y9-F12 PolarHBondContact O-N 3.45Å; Y9-C13 PolarHBondContact O-N 3.13Å
10W43.7Very low41.1Very low222 Ų222143.1 Ų143.184%0.84173%0.727SS**Hα-helixtrans-67.9-38.2179.1-158.2-79.4000112.8F8 G14F8-W10 VanDerWaalsContact C-N 3.34Å; F8-W10 PolarHBondContact O-N 3.44Å; W10-G14 PolarHBondContact O-N 3.41Å
11M43.1Very low40.8Very low148 Ų148144.5 Ų144.573%0.72974%0.736SS**Hα-helixtrans-64.5-41.7174.5-76.9-169.2168.800112F8 G14 S15F8-M11 PolarHBondContact O-N 3.4Å; M11-G14 PolarHBondContact O-N 3.48Å; M11-S15 PolarHBondContact O-N 3.31Å
12F39.6Very low40Very low165 Ų165139 Ų13972%0.72472%0.721SS**Hα-helixtrans-70.2-42.6-175.6-136.2-96.3000112.9F8 Y9 G14 S15F8-F12 PolarHBondContact O-N 3.39Å; Y9-F12 PolarHBondContact O-N 3.45Å; F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.45Å; F12-S15 PolarHBondContact O-N 3.36Å
13C41.6Very low39.6Very low78 Ų78136 Ų13653%0.52772%0.722SS.*Hα-helixtrans-63.7-33.5172.8-78.20000112.7Y9 S15Y9-C13 PolarHBondContact O-N 3.13Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 3.3Å
14G39.4Very low39.5Very low50 Ų50137.9 Ų137.952%0.51573%0.726SS.*Hα-helixtrans-64.1-29177.700000114.6W10 M11 F12W10-G14 PolarHBondContact O-N 3.41Å; M11-G14 PolarHBondContact O-N 3.48Å; F12-G14 VanDerWaalsContact C-N 3.29Å; F12-G14 PolarHBondContact O-N 3.45Å
15S38.6Very low39Very low85 Ų85140 Ų14059%0.59474%0.738SS**Hα-helixtrans-80.5-40178.9-650000113.5M11 F12 C13 L17 K18M11-S15 PolarHBondContact O-N 3.31Å; F12-S15 PolarHBondContact O-N 3.36Å; C13-S15 VanDerWaalsContact C-N 3.3Å; C13-S15 PolarHBondContact O-N 3.3Å; S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 3.46Å; S15-K18 PolarHBondContact O-N 3.21Å
16V37.9Very low38.3Very low107 Ų107142.4 Ų142.465%0.64875%0.753SS**Hα-helixtrans-68.5-33-173.4178.20000112.2K18V16-K18 PolarHBondContact O-N 3.2Å
17L38.5Very low37.7Very low164 Ų164138.8 Ų138.886%0.85975%0.748SS**THydrogen-bonded Turntrans-78.10.4-179.6-144.171.5000114.1S15S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 3.46Å
18K40.8Very low37.1Very low183 Ų183142.5 Ų142.580%0.79676%0.761SS**THydrogen-bonded Turntrans-106.818-176.2-154.7158.6-176.8173.60114.5S15 V16S15-K18 PolarHBondContact O-N 3.21Å; V16-K18 PolarHBondContact O-N 3.2Å
19Q35.6Very low36.4Very low169 Ų169140.6 Ų140.679%0.7977%0.767SS**SBendtrans-124.819.3-178.8-91.5-73.9-5.300114.3
20R36.3Very low35.8Very low233 Ų233138.3 Ų138.388%0.87978%0.776SS**SBendtrans-136.577171.6-85.5-172168.6171.6-3.6112.5
21N34.3Very low35.2Very low172 Ų172132.1 Ų132.192%0.9277%0.773SS**  trans-174.685.3147.6-99.1-16.2000110
22S33.3Very low34.7Very low116 Ų116136.5 Ų136.581%0.81178%0.781SS**  trans-158.696.4170.3-173.50000111.2
23S29.7Very low34.4Very low116 Ų116136.7 Ų136.781%0.81179%0.788SS**  trans166113.5149.6-79.10000110.5
24P40.8Very low34Very low133 Ų133139.4 Ų139.486%0.86480%0.797SS**  trans-107.4103.2174.134.6-25.2000112.2
25A30.1Very low33.7Very low97 Ų97145.7 Ų145.780%0.80281%0.81SS**  trans-165.2118.3165.600000112.7
26V32.3Very low33.4Very low152 Ų152148.7 Ų148.792%0.92181%0.814SS**  -155.2147.9121.2178.60000106.5
27S29.4Very low33.3Very low94 Ų94152.3 Ų152.366%0.65782%0.822SS**  trans-107.6156.9-178-168.30000113
28L32Very low33.7Very low165 Ų165149.9 Ų149.986%0.86482%0.816SS**  trans12.1116.7154.4-64.2165.8000118.5
29C28Very low33.2Very low128 Ų128144.8 Ų144.887%0.86582%0.815SS**  trans-167.3109.3137.7-137.40000114.9
30S26.5Very low33Very low127 Ų127144.7 Ų144.789%0.88882%0.82SS**  trans168.9149.4138.3-79.80000111.6
31A32.1Very low32.9Very low93 Ų93144.3 Ų144.377%0.76982%0.818SS**  trans-143.4148.2-173.400000114.7
32R32.1Very low33.1Very low239 Ų239142 Ų14290%0.90281%0.81SS**  trans39.7106.9148.4-66.6178.5171.3175.1-2.9120.1
33I33.4Very low33.6Very low170 Ų170142.6 Ų142.687%0.87281%0.812SS**  trans-146.9149.3146.3-56.3-177.7000107.4
34L32.6Very low33.8Very low134 Ų134141.8 Ų141.870%0.70281%0.812SS**  -169.1121.9-50.1-132.5169.1000109.4
35K34.2Very low33.4Very low183 Ų183140.1 Ų140.180%0.79681%0.809SS**  trans63.6134.7163.9-79.1168.9-173.4177.40122.7
36Q32.6Very low33.8Very low147 Ų147142.4 Ų142.469%0.68781%0.813SS**  12.7152.8127.4-100.369.410.400120.5
37F34.6Very low33.9Very low184 Ų184139.8 Ų139.881%0.80781%0.808SS**  cis-153.9-163.734.6-122.9-39.5000112.5
38P47Very low34.5Very low113 Ų113139.9 Ų139.973%0.73481%0.814SS**  trans-119.9164-135.943.4-29000118.3
39G30.1Very low35Very low75 Ų75139.5 Ų139.577%0.77381%0.808SS**  104.1113.1126.700000119.2
40D31.6Very low36.2Very low168 Ų168136.9 Ų136.990%0.89879%0.789SS**  trans-153.4169.3139.3-140.4-29.1000111.4
41R34.6Very low37.8Very low224 Ų224135.9 Ų135.985%0.84578%0.78SS**  trans-108.5126.9-165.6-91.8-176.2169.6-173.1-2.5116
42V38.3Very low39Very low123 Ų123134.5 Ų134.575%0.74577%0.768SS**  trans19.4141.6142.8-115.40000120.3
43P44.5Very low40.5Very low130 Ų130124.7 Ų124.784%0.84474%0.738SS**  -130.2171.18937.4-29.3000115.2
44A34Very low42.1Very low98 Ų98119.9 Ų119.981%0.8172%0.724SS**  trans-75.2147.3-163.700000115.9
45A32.1Very low43.9Very low98 Ų98119 Ų11981%0.8172%0.718SS**  trans-129.1148.515000000107.5
46T37.8Very low45.8Very low145 Ų145112.4 Ų112.489%0.8970%0.697SS**PPolyproline II helixtrans-66.5135.6-173.244.10000112.1
47A34.6Very low48.1Very low98 Ų98109.2 Ų109.281%0.8169%0.685SS**PPolyproline II helixtrans-65.8133.8-178.300000112
48A42.8Very low50.4Low95 Ų95106.6 Ų106.679%0.78568%0.675SS**PPolyproline II helixtrans-86.2129.6158.300000108.3
49E41.7Very low52.1Low158 Ų158104 Ų10474%0.73865%0.654SS**PPolyproline II helixtrans-57.8144.7171.5-89.3-71.6115.200110.9
50P51.9Low54.7Low72 Ų72101 Ų10147%0.46862%0.621SS.*PPolyproline II helixtrans-72.3148.5-175.530-35.1000112A52 A53P50-A52 PolarHBondContact O-N 3.35Å; P50-A53 PolarHBondContact O-N 3.38Å
51P61.2Low57.3Low107 Ų10797.6 Ų97.670%0.69560%0.599SS**Hα-helixtrans-63-9.2-179.526.4-35.8000114.4M55P51-M55 PolarHBondContact O-N 3.26Å
52A57.9Low59.7Low63 Ų6389.5 Ų89.552%0.52158%0.575SS.*Hα-helixtrans-68.8-33.5172.700000113.1P50 A56P50-A52 PolarHBondContact O-N 3.35Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.42Å
53A62.1Low62Low33 Ų3383.6 Ų83.627%0.27354%0.539SS..Hα-helixtrans-67.4-52.2178.700000110.7P50 M55 A56 D57P50-A53 PolarHBondContact O-N 3.38Å; A53-M55 VanDerWaalsContact C-N 3.29Å; A53-M55 PolarHBondContact O-N 3.29Å; A53-A56 WeakPolarHBondContact O-CA 3.44Å; A53-A56 WeakPolarHBondContact O-CB 3.09Å; A53-A56 PolarHBondContact O-N 3.11Å; A53-D57 PolarHBondContact O-N 3.28Å
54A68.3Low64.1Low69 Ų6981.8 Ų81.857%0.5752%0.519SS*.Hα-helixtrans-57.1-37.7177.300000113.3Q58A54-Q58 WeakPolarHBondContact O-CB 3.38Å; A54-Q58 PolarHBondContact O-N 3.41Å
55M70.2Confident66.6Low117 Ų11782.5 Ų82.558%0.57650%0.501SS*.Hα-helixtrans-70.6-33173-72.6-160.6-57.800113.1P51 A53 L59P51-M55 PolarHBondContact O-N 3.26Å; A53-M55 VanDerWaalsContact C-N 3.29Å; A53-M55 PolarHBondContact O-N 3.29Å; M55-L59 WeakPolarHBondContact O-CB 3.39Å; M55-L59 WeakPolarHBondContact O-CD1 3.47Å; M55-L59 WeakPolarHBondContact O-CG 3.42Å; M55-L59 PolarHBondContact O-N 3.39Å
56A73.7Confident69.2Low43 Ų4378.6 Ų78.636%0.35547%0.467SS..Hα-helixtrans-68.3-40.4175.100000111.7A52 A53 L59 L60A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.42Å; A53-A56 WeakPolarHBondContact O-CA 3.44Å; A53-A56 WeakPolarHBondContact O-CB 3.09Å; A53-A56 PolarHBondContact O-N 3.11Å; A56-L59 PolarHBondContact O-N 2.69Å; A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.47Å
57D80.6Confident71.6Confident81 Ų8173.1 Ų73.143%0.43343%0.431SS..Hα-helixtrans-71-38.7177.2-65-40.3000111.9A53 L59 L60 E61A53-D57 PolarHBondContact O-N 3.28Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.26Å; D57-L60 WeakPolarHBondContact O-CB 3.06Å; D57-L60 PolarHBondContact O-N 2.94Å; D57-E61 PolarHBondContact O-N 2.97Å
58Q83.5Confident74.1Confident128 Ų12871.2 Ų71.260%0.59841%0.412SS*.Hα-helixtrans-62.3-35.6169.9-172.9176.559.400112.4A54 T62A54-Q58 WeakPolarHBondContact O-CB 3.38Å; A54-Q58 PolarHBondContact O-N 3.41Å; Q58-T62 WeakPolarHBondContact O-CG2 3.26Å; Q58-T62 PolarHBondContact O-N 2.87Å; Q58-T62 PolarHBondContact O-OG1 2.9Å
59L82.1Confident76.1Confident58 Ų5872.5 Ų72.530%0.30440%0.396SS..Hα-helixtrans-70.7-36.2174-76.1168.8000112.6M55 A56 D57 T62 V63 V89 I95M55-L59 WeakPolarHBondContact O-CB 3.39Å; M55-L59 WeakPolarHBondContact O-CD1 3.47Å; M55-L59 WeakPolarHBondContact O-CG 3.42Å; M55-L59 PolarHBondContact O-N 3.39Å; A56-L59 PolarHBondContact O-N 2.69Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.26Å; L59-T62 WeakPolarHBondContact CA-OG1 3.36Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 2.99Å; L59-V63 VanDerWaalsContact O-N 3.17Å; L59-V89 HydrophobicContact CD2-CG1 4.06Å; L59-I95 HydrophobicContact CB-CD1 3.79Å
60L84.7Confident78.2Confident13 Ų1365 Ų657%0.06836%0.361CS..Hα-helixtrans-60.1-53.4170.9-76.4164.4000110.4A56 D57 T62 V63 E64 I95 R98 T99A56-L60 WeakPolarHBondContact O-CG 3.28Å; A56-L60 PolarHBondContact O-N 3.47Å; D57-L60 WeakPolarHBondContact O-CB 3.06Å; D57-L60 PolarHBondContact O-N 2.94Å; L60-T62 PolarHBondContact O-N 3.12Å; L60-V63 PolarHBondContact O-N 3.17Å; L60-V63 VanDerWaalsContact O-N 3.08Å; L60-E64 PolarHBondContact O-N 3.35Å; L60-I95 HydrophobicContact CD2-CB 4.14Å; L60-I95 HydrophobicContact CD2-CG1 3.86Å; L60-I95 HydrophobicContact CD2-CG2 4.13Å; L60-I95 HydrophobicContact CG-CG1 4.09Å; L60-R98 VanDerWaalsContact CD1-CZ 3.47Å; L60-R98 VanDerWaalsContact CD1-NH1 3.3Å; L60-R98 HydrophobicContact CD2-CB 3.91Å; L60-T99 HydrophobicContact CD2-CG2 3.79Å
61E86.6Confident79.7Confident96 Ų9667 Ų6745%0.44937%0.365SS..Hα-helixtrans-61.1-42.4-176.6-155.5-141.5125.700111.9D57 V63 E64 R65D57-E61 PolarHBondContact O-N 2.97Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 3.4Å; E61-E64 PolarHBondContact O-N 2.96Å; E61-R65 WeakPolarHBondContact O-CB 3.17Å; E61-R65 PolarHBondContact O-N 3.43Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 2.77Å; E61-R65 PolarHBondContact OE1-NE 2.95Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 2.97Å
62T85.1Confident80.6Confident54 Ų5467.2 Ų67.233%0.33136%0.36SS..Hα-helixtrans-66.3-31.1176.152.30000113.3Q58 L59 L60 L66Q58-T62 WeakPolarHBondContact O-CG2 3.26Å; Q58-T62 PolarHBondContact O-N 2.87Å; Q58-T62 PolarHBondContact O-OG1 2.9Å; L59-T62 WeakPolarHBondContact CA-OG1 3.36Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L60-T62 PolarHBondContact O-N 3.12Å; T62-L66 WeakPolarHBondContact O-CB 3.32Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.21Å; T62-L66 VanDerWaalsContact O-N 3.09Å
63V86.5Confident81.5Confident0 Ų067.2 Ų67.20%035%0.351CS..Hα-helixtrans-72.5-41.3173.4169.20000111.4L59 L60 E61 L66 Q67 L86 V89 M91 I95 T99 V101L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 2.99Å; L59-V63 VanDerWaalsContact O-N 3.17Å; L60-V63 PolarHBondContact O-N 3.17Å; L60-V63 VanDerWaalsContact O-N 3.08Å; E61-V63 VanDerWaalsContact C-N 3.32Å; E61-V63 PolarHBondContact O-N 3.4Å; V63-L66 PolarHBondContact O-N 3.34Å; V63-Q67 WeakPolarHBondContact O-CB 3Å; V63-Q67 PolarHBondContact O-N 3.35Å; V63-L86 HydrophobicContact CG1-CD1 4.21Å; V63-L86 HydrophobicContact CG2-CD1 4.25Å; V63-V89 HydrophobicContact CG2-CG1 4.02Å; V63-M91 HydrophobicContact CG1-CE 4.05Å; V63-M91 HydrophobicContact CG2-CE 3.91Å; V63-I95 HydrophobicContact CB-CG2 4.24Å; V63-I95 HydrophobicContact CG1-CG2 4.26Å; V63-I95 HydrophobicContact CG2-CG2 4.01Å; V63-T99 HydrophobicContact CB-CG2 4.29Å; V63-T99 HydrophobicContact CG1-CG2 3.84Å; V63-V101 HydrophobicContact CG1-CB 4.1Å; V63-V101 HydrophobicContact CG1-CG1 3.85Å; V63-V101 HydrophobicContact CG1-CG2 4.32Å
64E88.4Confident81.9Confident91 Ų9170.1 Ų70.143%0.42537%0.367SS..Hα-helixtrans-65-44.3175.4-69.8-178.9-176.600111.4L60 E61 L66 Q67 S68 T99L60-E64 PolarHBondContact O-N 3.35Å; E61-E64 PolarHBondContact O-N 2.96Å; E64-L66 PolarHBondContact O-N 2.93Å; E64-Q67 WeakPolarHBondContact O-CA 3.17Å; E64-Q67 WeakPolarHBondContact O-CB 3.41Å; E64-Q67 PolarHBondContact O-N 2.86Å; E64-S68 PolarHBondContact O-N 3Å; E64-S68 PolarHBondContact O-OG 3.15Å; E64-T99 HydrophobicContact CG-CG2 3.73Å
65R87.8Confident82.5Confident114 Ų11471.4 Ų71.443%0.4336%0.361SS..Hα-helixtrans-61.8-28.6174.1-161.8-169.2-72.1-149.22.8112.6E61 R69 E517E61-R65 WeakPolarHBondContact O-CB 3.17Å; E61-R65 PolarHBondContact O-N 3.43Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 2.77Å; E61-R65 PolarHBondContact OE1-NE 2.95Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 2.97Å; R65-R69 VanDerWaalsContact O-CD 3.25Å; R65-R69 WeakPolarHBondContact O-CD 3.06Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; R65-E517 IonicContact CZ-OE1 2.73Å; R65-E517 IonicContact NH1-OE1 3.16Å; R65-E517 PolarHBondContact NH1-OE1 2.94Å; R65-E517 IonicContact NH2-OE1 3.13Å; R65-E517 PolarHBondContact NH2-OE1 3.49Å
66L86.1Confident82.8Confident15 Ų1567.8 Ų67.88%0.07935%0.347CS..Hα-helixtrans-79.2-33.5169.7-77.2170000112.7T62 V63 E64 I70 T82 R85 L86 V89T62-L66 WeakPolarHBondContact O-CB 3.32Å; T62-L66 VanDerWaalsContact O-CG 3.27Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.21Å; T62-L66 VanDerWaalsContact O-N 3.09Å; V63-L66 PolarHBondContact O-N 3.34Å; E64-L66 PolarHBondContact O-N 2.93Å; L66-I70 WeakPolarHBondContact O-CD1 3.14Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 3Å; L66-T82 HydrophobicContact CD2-CG2 4.48Å; L66-R85 HydrophobicContact CD1-CB 4.47Å; L66-R85 HydrophobicContact CD2-CB 4.3Å; L66-L86 HydrophobicContact CB-CD1 4.46Å; L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD1-CD1 4.2Å; L66-V89 HydrophobicContact CD1-CG2 4.31Å
67Q87.4Confident83.1Confident30 Ų3075.7 Ų75.714%0.1437%0.367CS..Hα-helixtrans-67-47.9178.2168.2160.8-71.800112.3V63 E64 R69 I70 Q71 T99 V101 T104V63-Q67 WeakPolarHBondContact O-CB 3Å; V63-Q67 PolarHBondContact O-N 3.35Å; E64-Q67 WeakPolarHBondContact O-CA 3.17Å; E64-Q67 WeakPolarHBondContact O-CB 3.41Å; E64-Q67 PolarHBondContact O-N 2.86Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.33Å; Q67-I70 WeakPolarHBondContact O-CB 3.39Å; Q67-I70 PolarHBondContact O-N 3.49Å; Q67-Q71 PolarHBondContact O-N 3.01Å; Q67-T99 PolarHBondContact NE2-O 3Å; Q67-T99 PolarHBondContact OE1-O 3.29Å; Q67-V101 HydrophobicContact CB-CG2 4.33Å; Q67-V101 VanDerWaalsContact OE1-CB 3.24Å; Q67-T104 HydrophobicContact CG-CG2 4.28Å; Q67-T104 PolarHBondContact OE1-OG1 3.34Å
68S87.6Confident83.3Confident59 Ų5976 Ų7641%0.41337%0.365SS..Hα-helixtrans-59.1-47.4176.2-50.50000110.3E64 I70 Q71 D72E64-S68 PolarHBondContact O-N 3Å; E64-S68 PolarHBondContact O-OG 3.15Å; S68-I70 PolarHBondContact O-N 2.89Å; S68-Q71 CarbonylContact O-C 3.55Å; S68-Q71 WeakPolarHBondContact O-CA 3.23Å; S68-Q71 PolarHBondContact O-N 2.93Å; S68-D72 PolarHBondContact O-N 3.33Å
69R84.2Confident83.4Confident122 Ų12270 Ų7046%0.4634%0.336SS..Hα-helixtrans-60.2-14.1174.6-70177.263.1177.85.3115.6R65 Q67 T82R65-R69 VanDerWaalsContact O-CD 3.25Å; R65-R69 WeakPolarHBondContact O-CD 3.06Å; R65-R69 WeakPolarHBondContact O-CG 3.2Å; Q67-R69 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 3.33Å; R69-T82 HydrophobicContact CB-CG2 4.3Å
70I86.4Confident83.6Confident0 Ų069.7 Ų69.70%034%0.335CS..Hα-helixtrans-90.3-28.3172.3-78.2166.2000111.2L66 Q67 S68 L79 T82 L83 L86 F108L66-I70 WeakPolarHBondContact O-CD1 3.14Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.36Å; L66-I70 PolarHBondContact O-N 3Å; Q67-I70 WeakPolarHBondContact O-CB 3.39Å; Q67-I70 PolarHBondContact O-N 3.49Å; S68-I70 PolarHBondContact O-N 2.89Å; I70-L79 HydrophobicContact CB-CD1 4.44Å; I70-L79 HydrophobicContact CG1-CD1 4.15Å; I70-L79 HydrophobicContact CG2-CD1 3.91Å; I70-T82 WeakPolarHBondContact CG1-OG1 3.48Å; I70-L83 HydrophobicContact CD1-CD2 3.77Å; I70-L83 HydrophobicContact CD1-CG 4.22Å; I70-L86 HydrophobicContact CD1-CD2 3.72Å; I70-F108 HydrophobicContact CG2-CD2 3.98Å; I70-F108 HydrophobicContact CG2-CE2 3.26Å; I70-F108 HydrophobicContact CG2-CZ 3.73Å; I70-F108 WeakPolarHBondContact O-CZ 3.35Å
71Q83.2Confident83.7Confident115 Ų11576.1 Ų76.154%0.53736%0.362SS..Hα-helixtrans-81.8-46174.1-60.8-17927.600111.5Q67 S68 N73Q67-Q71 PolarHBondContact O-N 3.01Å; S68-Q71 CarbonylContact O-C 3.55Å; S68-Q71 WeakPolarHBondContact O-CA 3.23Å; S68-Q71 PolarHBondContact O-N 2.93Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 2.97Å
72D81.2Confident83.8Confident110 Ų11071.9 Ų71.959%0.58834%0.343SS*.SBendtrans-72.6-19.1-173.2-54.5-37000114S68S68-D72 PolarHBondContact O-N 3.33Å
73N75.4Confident83.9Confident64 Ų6469.3 Ų69.334%0.34233%0.327SS..  trans-134.777.8-170.6-87.5-110.3000111.8Q71 E75 K78Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 2.97Å; N73-E75 PolarHBondContact O-N 2.93Å; N73-K78 HydrophobicContact CB-CD 4.4Å; N73-K78 WeakPolarHBondContact OD1-CD 3.4Å; N73-K78 PolarHBondContact OD1-NZ 3.42Å
74P71.7Confident84Confident93 Ų9374.4 Ų74.460%0.60435%0.35SS*.  trans-72.418.2178.831.5-37.1000114.8
75E81Confident84Confident96 Ų9677.3 Ų77.345%0.44936%0.357SS..  trans-71.4122.9172.1-101.4-177.2-126.600110.4N73 R77 K78 L79N73-E75 PolarHBondContact O-N 2.93Å; E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.12Å; E75-K78 HydrophobicContact CB-CB 4.06Å; E75-K78 HydrophobicContact CB-CD 3.95Å; E75-K78 HydrophobicContact CB-CG 4.04Å; E75-K78 VanDerWaalsContact CD-CE 3.47Å; E75-K78 VanDerWaalsContact CD-NZ 3.27Å; E75-K78 HydrophobicContact CG-CD 4.47Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-K78 WeakPolarHBondContact OE1-CE 3.26Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.01Å; E75-K78 WeakPolarHBondContact OE2-CD 3.12Å; E75-K78 WeakPolarHBondContact OE2-CE 3.34Å; E75-K78 IonicContact OE2-NZ 2.75Å; E75-K78 PolarHBondContact OE2-NZ 2.78Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.92Å
76P76.6Confident84Confident42 Ų4271.9 Ų71.927%0.27334%0.336SS..Hα-helixtrans-60-34-174.220.7-32.2000112.9K78 L80 D113 V114P76-K78 VanDerWaalsContact C-N 3.35Å; P76-K78 PolarHBondContact O-N 3.04Å; P76-L80 WeakPolarHBondContact O-CB 3.41Å; P76-L80 PolarHBondContact O-N 2.78Å; P76-D113 HydrophobicContact CB-CB 3.79Å; P76-D113 WeakPolarHBondContact CB-OD2 3.32Å; P76-D113 WeakPolarHBondContact CG-OD2 3.38Å; P76-V114 HydrophobicContact CB-CG2 4.37Å
77R79.4Confident84Confident209 Ų20971.8 Ų71.879%0.78934%0.339SS*.Hα-helixtrans-71.2-24.6177.3-64.6-177.7179.1-173.90.6114E75 K81E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.12Å; R77-K81 WeakPolarHBondContact O-CG 3.4Å
78K83.8Confident84Confident88 Ų8877.3 Ų77.338%0.38336%0.364SS..Hα-helixtrans-86.7-47.4174.3-68.2177.2-176.4157.70109.8N73 E75 P76 L80 K81 T82N73-K78 HydrophobicContact CB-CD 4.4Å; N73-K78 WeakPolarHBondContact OD1-CD 3.4Å; N73-K78 PolarHBondContact OD1-NZ 3.42Å; E75-K78 HydrophobicContact CB-CB 4.06Å; E75-K78 HydrophobicContact CB-CD 3.95Å; E75-K78 HydrophobicContact CB-CG 4.04Å; E75-K78 VanDerWaalsContact CD-CE 3.47Å; E75-K78 VanDerWaalsContact CD-NZ 3.27Å; E75-K78 HydrophobicContact CG-CD 4.47Å; E75-K78 PolarHBondContact O-N 3.42Å; E75-K78 WeakPolarHBondContact OE1-CE 3.26Å; E75-K78 IonicContact OE1-NZ 3.15Å; E75-K78 PolarHBondContact OE1-NZ 3.01Å; E75-K78 WeakPolarHBondContact OE2-CD 3.12Å; E75-K78 WeakPolarHBondContact OE2-CE 3.34Å; E75-K78 IonicContact OE2-NZ 2.75Å; E75-K78 PolarHBondContact OE2-NZ 2.78Å; P76-K78 VanDerWaalsContact C-N 3.35Å; P76-K78 PolarHBondContact O-N 3.04Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.48Å; K78-K81 WeakPolarHBondContact O-CA 3.42Å; K78-K81 WeakPolarHBondContact O-CB 3.39Å; K78-K81 PolarHBondContact O-N 3.21Å; K78-T82 PolarHBondContact O-N 3.11Å; K78-T82 PolarHBondContact O-OG1 3.24Å
79L86.1Confident83.9Confident0 Ų075.9 Ų75.90%035%0.353CS..Hα-helixtrans-53.4-43.8174.5179.560.9000112.8I70 E75 K81 T82 L83 F108 V114I70-L79 HydrophobicContact CB-CD1 4.44Å; I70-L79 HydrophobicContact CG1-CD1 4.15Å; I70-L79 HydrophobicContact CG2-CD1 3.91Å; E75-L79 WeakPolarHBondContact O-CB 3.27Å; E75-L79 PolarHBondContact O-N 2.92Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.25Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.35Å; L79-T82 PolarHBondContact O-OG1 2.9Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; L79-L83 HydrophobicContact CD1-CD1 3.77Å; L79-L83 HydrophobicContact CD1-CG 4.04Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.33Å; L79-F108 HydrophobicContact CD1-CD1 4.13Å; L79-F108 HydrophobicContact CD1-CE1 4.07Å; L79-F108 HydrophobicContact CD1-CG 4.35Å; L79-F108 HydrophobicContact CD1-CZ 4.27Å; L79-F108 HydrophobicContact CD2-CD1 3.49Å; L79-F108 VanDerWaalsContact CD2-CD1 3.49Å; L79-F108 HydrophobicContact CD2-CE1 3.72Å; L79-F108 HydrophobicContact CD2-CG 4.27Å; L79-F108 HydrophobicContact CG-CD1 4.43Å; L79-V114 HydrophobicContact CB-CG2 4.49Å; L79-V114 HydrophobicContact CD2-CB 4.3Å; L79-V114 HydrophobicContact CD2-CG2 3.84Å; L79-V114 HydrophobicContact CG-CB 4.43Å; L79-V114 HydrophobicContact CG-CG1 4.39Å; L79-V114 HydrophobicContact CG-CG2 4.09Å
80L86.6Confident83.5Confident52 Ų5278 Ų7827%0.27237%0.368SS..Hα-helixtrans-66.7-26.4176.7-174.1146.1000113.2P76 K78 K84 V114 L117P76-L80 WeakPolarHBondContact O-CB 3.41Å; P76-L80 PolarHBondContact O-N 2.78Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.48Å; L80-K84 HydrophobicContact CD2-CD 4.09Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.24Å; L80-K84 PolarHBondContact O-N 3.22Å; L80-V114 HydrophobicContact CB-CG1 3.87Å; L80-V114 HydrophobicContact CB-CG2 4.35Å; L80-V114 HydrophobicContact CD1-CG1 4.37Å; L80-V114 HydrophobicContact CG-CG1 4.23Å; L80-L117 HydrophobicContact CD1-CD1 3.94Å; L80-L117 HydrophobicContact CG-CD1 3.75Å
81K87.7Confident83.3Confident148 Ų14878.6 Ų78.664%0.64337%0.371SS*.Hα-helixtrans-80.8-41174.4-68.5174.7-177.9179.90112R77 K78 L79 K84 R85R77-K81 WeakPolarHBondContact O-CG 3.4Å; K78-K81 WeakPolarHBondContact O-CA 3.42Å; K78-K81 WeakPolarHBondContact O-CB 3.39Å; K78-K81 PolarHBondContact O-N 3.21Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.25Å; K81-K84 PolarHBondContact O-N 2.6Å; K81-R85 PolarHBondContact O-N 2.81Å
82T87.7Confident83.3Confident7 Ų776 Ų764%0.04336%0.363CS..Hα-helixtrans-68.5-43.1177.548.60000111.4L66 R69 I70 K78 L79 K84 R85 L86L66-T82 HydrophobicContact CD2-CG2 4.48Å; R69-T82 HydrophobicContact CB-CG2 4.3Å; I70-T82 WeakPolarHBondContact CG1-OG1 3.48Å; K78-T82 PolarHBondContact O-N 3.11Å; K78-T82 PolarHBondContact O-OG1 3.24Å; L79-T82 WeakPolarHBondContact CA-OG1 3.31Å; L79-T82 PolarHBondContact O-N 3.35Å; L79-T82 PolarHBondContact O-OG1 2.9Å; L79-T82 VanDerWaalsContact O-OG1 3.04Å; T82-K84 VanDerWaalsContact C-N 3.33Å; T82-K84 PolarHBondContact O-N 3.27Å; T82-R85 PolarHBondContact O-N 3.34Å; T82-L86 WeakPolarHBondContact O-CB 3.3Å; T82-L86 PolarHBondContact O-N 3.49Å
83L87.4Confident83.4Confident1 Ų172.7 Ų72.71%0.00535%0.347CS..Hα-helixtrans-63.8-33.5175.1-73.6174.7000113.1I70 L79 L86 G87 V105 V114 L121I70-L83 HydrophobicContact CD1-CD2 3.77Å; I70-L83 HydrophobicContact CD1-CG 4.22Å; L79-L83 HydrophobicContact CD1-CD1 3.77Å; L79-L83 HydrophobicContact CD1-CG 4.04Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.37Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.33Å; L83-L86 HydrophobicContact CD2-CD2 4.23Å; L83-L86 PolarHBondContact O-N 2.82Å; L83-G87 PolarHBondContact O-N 3.05Å; L83-V105 HydrophobicContact CD2-CB 4.37Å; L83-V105 HydrophobicContact CD2-CG1 3.88Å; L83-V105 HydrophobicContact CD2-CG2 3.67Å; L83-V114 HydrophobicContact CD1-CB 4.4Å; L83-V114 HydrophobicContact CD1-CG1 3.64Å; L83-L121 HydrophobicContact CB-CD1 4.01Å; L83-L121 HydrophobicContact CD2-CD1 3.92Å; L83-L121 WeakPolarHBondContact O-CD1 3.25Å
84K88.7Confident83.7Confident107 Ų10775.1 Ų75.147%0.46536%0.36SS..Hα-helixtrans-64.4-49.5172.2-80.2178-179.9-175.30112.1L80 K81 T82 L86 G87 E88 L117L80-K84 HydrophobicContact CD2-CD 4.09Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.24Å; L80-K84 PolarHBondContact O-N 3.22Å; K81-K84 PolarHBondContact O-N 2.6Å; T82-K84 VanDerWaalsContact C-N 3.33Å; T82-K84 PolarHBondContact O-N 3.27Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.16Å; K84-G87 WeakPolarHBondContact O-CA 3.5Å; K84-G87 PolarHBondContact O-N 3.03Å; K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 2.86Å; K84-E88 VanDerWaalsContact O-N 3.11Å; K84-L117 HydrophobicContact CG-CD1 4.41Å
85R87.3Confident84.3Confident152 Ų15271.1 Ų71.157%0.57433%0.333SS*.Hα-helixtrans-57.7-42.7174.2-74.5-172.8172.5-157.6-1.8112.3L66 K81 T82 G87 E88 V89L66-R85 HydrophobicContact CD1-CB 4.47Å; L66-R85 HydrophobicContact CD2-CB 4.3Å; K81-R85 PolarHBondContact O-N 2.81Å; T82-R85 PolarHBondContact O-N 3.34Å; R85-G87 PolarHBondContact O-N 3.16Å; R85-E88 WeakPolarHBondContact O-CB 3.4Å; R85-E88 PolarHBondContact O-N 2.9Å; R85-V89 WeakPolarHBondContact O-CG2 3.47Å; R85-V89 PolarHBondContact O-N 2.92Å; R85-V89 VanDerWaalsContact O-N 3.09Å
86L88.4Confident84.5Confident0 Ų067.9 Ų67.90%032%0.319CS..Hα-helixtrans-65-20.5176.4-172.558.5000113.2V63 L66 I70 T82 L83 K84 M91 V101 V105 W125V63-L86 HydrophobicContact CG1-CD1 4.21Å; V63-L86 HydrophobicContact CG2-CD1 4.25Å; L66-L86 HydrophobicContact CB-CD1 4.46Å; L66-L86 HydrophobicContact CD1-CB 4.29Å; L66-L86 HydrophobicContact CD1-CD1 4.2Å; I70-L86 HydrophobicContact CD1-CD2 3.72Å; T82-L86 WeakPolarHBondContact O-CB 3.3Å; T82-L86 PolarHBondContact O-N 3.49Å; L83-L86 HydrophobicContact CD2-CD2 4.23Å; L83-L86 PolarHBondContact O-N 2.82Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.16Å; L86-M91 HydrophobicContact CD1-CE 4.06Å; L86-V101 HydrophobicContact CD1-CG2 4.41Å; L86-V101 HydrophobicContact CD2-CG2 3.79Å; L86-V105 HydrophobicContact CD2-CG2 3.78Å; L86-W125 HydrophobicContact CD1-CZ2 4.4Å; L86-W125 HydrophobicContact CD2-CH2 3.93Å; L86-W125 HydrophobicContact CD2-CZ2 4.41Å; L86-W125 HydrophobicContact CG-CH2 3.97Å; L86-W125 HydrophobicContact CG-CZ2 3.93Å
87G86.5Confident84.9Confident13 Ų1371.2 Ų71.213%0.13434%0.338CS..Hα-helixtrans-84.1-22.8169.500000115.2L83 K84 R85 K124L83-G87 PolarHBondContact O-N 3.05Å; K84-G87 WeakPolarHBondContact O-CA 3.5Å; K84-G87 PolarHBondContact O-N 3.03Å; R85-G87 PolarHBondContact O-N 3.16Å; G87-K124 PolarHBondContact O-NZ 3.49Å
88E88.1Confident85.2Confident145 Ų14569.4 Ų69.468%0.67833%0.332SS*.Hα-helixtrans-80.9-32.8176.6-68.6157-170.900111.5K84 R85K84-E88 WeakPolarHBondContact O-CG 3.43Å; K84-E88 PolarHBondContact O-N 2.86Å; K84-E88 VanDerWaalsContact O-N 3.11Å; R85-E88 WeakPolarHBondContact O-CB 3.4Å; R85-E88 PolarHBondContact O-N 2.9Å
89V85.2Confident85.2Confident30 Ų3065.7 Ų65.718%0.18232%0.316CS..SBendtrans-59.4139.1173.6174.80000111.6L59 V63 L66 R85 M91L59-V89 HydrophobicContact CD2-CG1 4.06Å; V63-V89 HydrophobicContact CG2-CG1 4.02Å; L66-V89 HydrophobicContact CD1-CG2 4.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.47Å; R85-V89 PolarHBondContact O-N 2.92Å; R85-V89 VanDerWaalsContact O-N 3.09Å; V89-M91 VanDerWaalsContact C-N 3.33Å; V89-M91 PolarHBondContact O-N 3.32Å
90Q76Confident85.2Confident165 Ų16566.7 Ų66.777%0.77133%0.327SS*.  trans-76.481.7173.9-67.1-16087.100111.1
91M81.6Confident85.2Confident14 Ų1464.2 Ų64.27%0.06931%0.314CS..  trans-61.5136174.6-169.760.962.200111.5V63 L86 V89 I95 L96 V101 W125 L128V63-M91 HydrophobicContact CG1-CE 4.05Å; V63-M91 HydrophobicContact CG2-CE 3.91Å; L86-M91 HydrophobicContact CD1-CE 4.06Å; V89-M91 VanDerWaalsContact C-N 3.33Å; V89-M91 PolarHBondContact O-N 3.32Å; M91-I95 HydrophobicContact CE-CG2 4.4Å; M91-I95 HydrophobicContact SD-CB 4.03Å; M91-I95 HydrophobicContact SD-CG2 3.54Å; M91-I95 VanDerWaalsContact SD-CG2 3.54Å; M91-L96 HydrophobicContact CG-CB 4.33Å; M91-L96 HydrophobicContact CG-CD1 4.44Å; M91-L96 HydrophobicContact SD-CB 4.12Å; M91-L96 HydrophobicContact SD-CD1 4.34Å; M91-V101 HydrophobicContact CE-CG1 3.8Å; M91-V101 HydrophobicContact SD-CG1 4.37Å; M91-W125 HydrophobicContact CE-CH2 4.34Å; M91-W125 HydrophobicContact CE-CZ2 3.75Å; M91-W125 HydrophobicContact CG-CD2 4.44Å; M91-W125 HydrophobicContact CG-CG 4.26Å; M91-L128 HydrophobicContact CB-CD1 4.25Å; M91-L128 WeakPolarHBondContact O-CD1 3.34Å
92T83.6Confident85.1Confident60 Ų6058.2 Ų58.237%0.36829%0.294SS..  trans-112.7169.916869.80000110.6I95 L96T92-I95 HydrophobicContact CG2-CD1 4.26Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I95 VanDerWaalsContact OG1-CG1 3.27Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.41Å; T92-I95 PolarHBondContact OG1-N 3.35Å; T92-L96 WeakPolarHBondContact O-CB 3.25Å; T92-L96 PolarHBondContact O-N 2.9Å; T92-L96 VanDerWaalsContact O-N 3.08Å
93V83.6Confident85.1Confident41 Ų4166.2 Ų66.225%0.24833%0.328CS..Hα-helixtrans-64-43.7176.9-178.60000110.7I95 L96 V97 L128 V129V93-I95 PolarHBondContact O-N 2.97Å; V93-L96 WeakPolarHBondContact O-CB 3.21Å; V93-L96 PolarHBondContact O-N 3.49Å; V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å; V93-L128 WeakPolarHBondContact CG2-O 3.33Å; V93-V129 HydrophobicContact CG1-CG2 4.4Å; V93-V129 HydrophobicContact CG2-CG2 4.42Å
94D81.8Confident85.1Confident114 Ų11467.3 Ų67.361%0.6134%0.335SS*.Hα-helixtrans-66.3-39.7-176.7-45.1-82.8000111.5V97 R98D94-V97 PolarHBondContact O-N 3.23Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 3.09Å
95I83.2Confident85.1Confident9 Ų962.2 Ų62.25%0.04631%0.313CS..Hα-helixtrans-64.3-44.3172.9-66.3170.5000110.5L59 L60 V63 M91 T92 V93 V97 R98 T99L59-I95 HydrophobicContact CB-CD1 3.79Å; L60-I95 HydrophobicContact CD2-CB 4.14Å; L60-I95 HydrophobicContact CD2-CG1 3.86Å; L60-I95 HydrophobicContact CD2-CG2 4.13Å; L60-I95 HydrophobicContact CG-CG1 4.09Å; V63-I95 HydrophobicContact CB-CG2 4.24Å; V63-I95 HydrophobicContact CG1-CG2 4.26Å; V63-I95 HydrophobicContact CG2-CG2 4.01Å; M91-I95 HydrophobicContact CE-CG2 4.4Å; M91-I95 HydrophobicContact SD-CB 4.03Å; M91-I95 HydrophobicContact SD-CG2 3.54Å; M91-I95 VanDerWaalsContact SD-CG2 3.54Å; T92-I95 HydrophobicContact CG2-CD1 4.26Å; T92-I95 WeakPolarHBondContact OG1-CD1 3.43Å; T92-I95 VanDerWaalsContact OG1-CG1 3.27Å; T92-I95 WeakPolarHBondContact OG1-CG1 3.41Å; T92-I95 PolarHBondContact OG1-N 3.35Å; V93-I95 PolarHBondContact O-N 2.97Å; I95-V97 VanDerWaalsContact C-N 3.29Å; I95-V97 PolarHBondContact O-N 3.19Å; I95-R98 PolarHBondContact O-N 3.48Å; I95-T99 HydrophobicContact CG2-CG2 4.14Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.37Å; I95-T99 PolarHBondContact O-OG1 3.11Å
96L85.7Confident85.3Confident28 Ų2858.3 Ų58.315%0.14730%0.304CS..Hα-helixtrans-63.2-34.6179.2-172.370.8000112.5M91 T92 V93 G100 V101 W125 V129M91-L96 HydrophobicContact CG-CB 4.33Å; M91-L96 HydrophobicContact CG-CD1 4.44Å; M91-L96 HydrophobicContact SD-CB 4.12Å; M91-L96 HydrophobicContact SD-CD1 4.34Å; T92-L96 WeakPolarHBondContact O-CB 3.25Å; T92-L96 PolarHBondContact O-N 2.9Å; T92-L96 VanDerWaalsContact O-N 3.08Å; V93-L96 WeakPolarHBondContact O-CB 3.21Å; V93-L96 PolarHBondContact O-N 3.49Å; L96-G100 PolarHBondContact O-N 3.4Å; L96-V101 HydrophobicContact CD1-CG1 3.89Å; L96-W125 HydrophobicContact CD1-CB 4.41Å; L96-W125 HydrophobicContact CD1-CD2 3.92Å; L96-W125 HydrophobicContact CD1-CE3 3.6Å; L96-W125 HydrophobicContact CD1-CG 4.29Å; L96-W125 HydrophobicContact CD1-CZ3 4.1Å; L96-W125 HydrophobicContact CD2-CB 3.97Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å
97V85.1Confident85.3Confident112 Ų11261.9 Ų61.968%0.67933%0.329SS*.Hα-helixtrans-76.7-48176.7171.80000111.6V93 D94 I95V93-V97 HydrophobicContact CG1-CG2 4.4Å; V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å; D94-V97 PolarHBondContact O-N 3.23Å; I95-V97 VanDerWaalsContact C-N 3.29Å; I95-V97 PolarHBondContact O-N 3.19Å
98R84.4Confident85.4Confident171 Ų17162.8 Ų62.865%0.64533%0.329SS*.Hα-helixtrans-64.8-47.3-178.4-72.3176.676.9-179.5-2.1112.3L60 D94 I95L60-R98 VanDerWaalsContact CD1-CZ 3.47Å; L60-R98 VanDerWaalsContact CD1-NH1 3.3Å; L60-R98 HydrophobicContact CD2-CB 3.91Å; D94-R98 WeakPolarHBondContact O-CB 3.4Å; D94-R98 VanDerWaalsContact O-CG 3.3Å; D94-R98 WeakPolarHBondContact O-CG 3.34Å; D94-R98 PolarHBondContact O-N 3.09Å; I95-R98 PolarHBondContact O-N 3.48Å
99T84.8Confident85.4Confident10 Ų1061 Ų616%0.06132%0.316CS..Hα-helixtrans-79.3-22.8-176.963.30000113.9L60 V63 E64 Q67 I95 V101L60-T99 HydrophobicContact CD2-CG2 3.79Å; V63-T99 HydrophobicContact CB-CG2 4.29Å; V63-T99 HydrophobicContact CG1-CG2 3.84Å; E64-T99 HydrophobicContact CG-CG2 3.73Å; Q67-T99 PolarHBondContact NE2-O 3Å; Q67-T99 PolarHBondContact OE1-O 3.29Å; I95-T99 HydrophobicContact CG2-CG2 4.14Å; I95-T99 WeakPolarHBondContact O-CB 3.41Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.37Å; I95-T99 PolarHBondContact O-OG1 3.11Å; T99-V101 PolarHBondContact O-N 2.97Å; T99-V101 WeakPolarHBondContact OG1-CG1 3.49Å; T99-V101 PolarHBondContact OG1-N 2.91Å
100G85.4Confident85.5Confident21 Ų2169.1 Ų69.122%0.21635%0.349CS..  trans69.87.5-174.600000115.2L96 G102 K103L96-G100 PolarHBondContact O-N 3.4Å; G100-G102 PolarHBondContact O-N 2.71Å; G100-K103 WeakPolarHBondContact O-CB 3.41Å; G100-K103 PolarHBondContact O-N 3.1Å
101V86.7Confident86Confident0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-60.2-20.6-171.3750000114.9V63 Q67 L86 M91 L96 T99 K103 T104 V105 W125V63-V101 HydrophobicContact CG1-CB 4.1Å; V63-V101 HydrophobicContact CG1-CG1 3.85Å; V63-V101 HydrophobicContact CG1-CG2 4.32Å; Q67-V101 HydrophobicContact CB-CG2 4.33Å; Q67-V101 VanDerWaalsContact OE1-CB 3.24Å; L86-V101 HydrophobicContact CD1-CG2 4.41Å; L86-V101 HydrophobicContact CD2-CG2 3.79Å; M91-V101 HydrophobicContact CE-CG1 3.8Å; M91-V101 HydrophobicContact SD-CG1 4.37Å; L96-V101 HydrophobicContact CD1-CG1 3.89Å; T99-V101 PolarHBondContact O-N 2.97Å; T99-V101 WeakPolarHBondContact OG1-CG1 3.49Å; T99-V101 PolarHBondContact OG1-N 2.91Å; V101-K103 PolarHBondContact O-N 3.04Å; V101-T104 WeakPolarHBondContact CA-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.06Å; V101-T104 PolarHBondContact O-OG1 2.91Å; V101-V105 HydrophobicContact CG2-CG2 4.15Å; V101-V105 WeakPolarHBondContact O-CG2 3.12Å; V101-V105 PolarHBondContact O-N 3.08Å; V101-V105 VanDerWaalsContact O-N 3.09Å; V101-W125 HydrophobicContact CG1-CH2 4.03Å; V101-W125 HydrophobicContact CG1-CZ3 4.17Å; V101-W125 HydrophobicContact CG2-CH2 4.33Å
102G86.7Confident86.2Confident23 Ų2370.6 Ų70.624%0.23736%0.36CS..Hα-helixtrans-59.2-32.1168.900000113.7G100 N106G100-G102 PolarHBondContact O-N 2.71Å; G102-N106 WeakPolarHBondContact O-CB 3.32Å; G102-N106 PolarHBondContact O-N 3.49Å
103K87.8Confident86.2Confident174 Ų17472.9 Ų72.976%0.75737%0.37SS*.Hα-helixtrans-75.1-45.2178.7-62.1178-178175.20111.5G100 V101 N106 S107G100-K103 WeakPolarHBondContact O-CB 3.41Å; G100-K103 PolarHBondContact O-N 3.1Å; V101-K103 PolarHBondContact O-N 3.04Å; K103-N106 PolarHBondContact O-N 3.18Å; K103-S107 PolarHBondContact O-N 3.47Å
104T87.3Confident86.4Confident24 Ų2471 Ų7115%0.14736%0.359CS..Hα-helixtrans-65.5-50.8-178.756.90000110.4Q67 V101 N106 S107 F108Q67-T104 HydrophobicContact CG-CG2 4.28Å; Q67-T104 PolarHBondContact OE1-OG1 3.34Å; V101-T104 WeakPolarHBondContact CA-OG1 3.15Å; V101-T104 PolarHBondContact O-N 3.06Å; V101-T104 PolarHBondContact O-OG1 2.91Å; T104-N106 PolarHBondContact O-N 2.89Å; T104-S107 PolarHBondContact O-N 3.45Å; T104-S107 VanDerWaalsContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.36Å; T104-F108 WeakPolarHBondContact O-CD2 3.34Å
105V88.5Confident86.8Confident0 Ų065.6 Ų65.60%033%0.33CS..Hα-helixtrans-63.4-28.1176.5-1790000112.3L83 L86 V101 S107 F108 A118 L121 V122 W125L83-V105 HydrophobicContact CD2-CB 4.37Å; L83-V105 HydrophobicContact CD2-CG1 3.88Å; L83-V105 HydrophobicContact CD2-CG2 3.67Å; L86-V105 HydrophobicContact CD2-CG2 3.78Å; V101-V105 HydrophobicContact CG2-CG2 4.15Å; V101-V105 WeakPolarHBondContact O-CG2 3.12Å; V101-V105 PolarHBondContact O-N 3.08Å; V101-V105 VanDerWaalsContact O-N 3.09Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.12Å; V105-F108 PolarHBondContact O-N 3.22Å; V105-A118 HydrophobicContact CG1-CB 4.04Å; V105-L121 HydrophobicContact CG1-CB 4.21Å; V105-L121 HydrophobicContact CG1-CD1 4.23Å; V105-V122 HydrophobicContact CG1-CG2 4.2Å; V105-W125 HydrophobicContact CB-CH2 4.29Å; V105-W125 HydrophobicContact CB-CZ3 3.92Å; V105-W125 HydrophobicContact CG1-CZ3 4.31Å; V105-W125 HydrophobicContact CG2-CH2 3.79Å; V105-W125 HydrophobicContact CG2-CZ3 3.88Å
106N90.2Very high87.1Confident71 Ų7172.8 Ų72.838%0.3836%0.363SS..Hα-helixtrans-68.6-26.6176.1-179.576.8000113.8G102 K103 T104 R109 V122G102-N106 WeakPolarHBondContact O-CB 3.32Å; G102-N106 PolarHBondContact O-N 3.49Å; K103-N106 PolarHBondContact O-N 3.18Å; T104-N106 PolarHBondContact O-N 2.89Å; N106-R109 WeakPolarHBondContact O-CB 3.42Å; N106-R109 WeakPolarHBondContact O-CD 3.25Å; N106-R109 WeakPolarHBondContact O-CG 3.36Å; N106-R109 PolarHBondContact O-N 3.3Å; N106-R109 WeakPolarHBondContact OD1-CD 3.38Å; N106-R109 PolarHBondContact OD1-NH1 2.93Å; N106-V122 HydrophobicContact CB-CG2 4.32Å
107S90.3Very high87.2Confident75 Ų7574 Ų7452%0.52437%0.37SS..Hα-helixtrans-68.8-42.5175.172.10000111.6K103 T104 V105 R109 K110K103-S107 PolarHBondContact O-N 3.47Å; T104-S107 PolarHBondContact O-N 3.45Å; T104-S107 VanDerWaalsContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.36Å; V105-S107 VanDerWaalsContact C-N 3.35Å; V105-S107 PolarHBondContact O-N 3.12Å; S107-R109 PolarHBondContact O-N 3.26Å; S107-K110 PolarHBondContact O-N 2.81Å
108F88Confident87.4Confident32 Ų3268.6 Ų68.614%0.1434%0.337CS..G310 helixtrans-64.9-6.4178.8-64.4-76.7000114.6I70 L79 T104 V105 K110 H111 G115 A118I70-F108 HydrophobicContact CG2-CD2 3.98Å; I70-F108 HydrophobicContact CG2-CE2 3.26Å; I70-F108 HydrophobicContact CG2-CZ 3.73Å; I70-F108 WeakPolarHBondContact O-CZ 3.35Å; L79-F108 HydrophobicContact CD1-CD1 4.13Å; L79-F108 HydrophobicContact CD1-CE1 4.07Å; L79-F108 HydrophobicContact CD1-CG 4.35Å; L79-F108 HydrophobicContact CD1-CZ 4.27Å; L79-F108 HydrophobicContact CD2-CD1 3.49Å; L79-F108 VanDerWaalsContact CD2-CD1 3.49Å; L79-F108 HydrophobicContact CD2-CE1 3.72Å; L79-F108 HydrophobicContact CD2-CG 4.27Å; L79-F108 HydrophobicContact CG-CD1 4.43Å; T104-F108 WeakPolarHBondContact O-CD2 3.34Å; V105-F108 PolarHBondContact O-N 3.22Å; F108-K110 PolarHBondContact O-N 2.99Å; F108-K110 VanDerWaalsContact O-N 3.15Å; F108-H111 VanDerWaalsContact O-CB 3.32Å; F108-H111 WeakPolarHBondContact O-CB 3.21Å; F108-H111 PolarHBondContact O-N 2.9Å; F108-G115 VanDerWaalsContact O-CA 3.32Å; F108-G115 WeakPolarHBondContact O-CA 3.45Å; F108-A118 HydrophobicContact CB-CB 4.16Å
109R87.4Confident87.8Confident106 Ų10665.4 Ų65.440%0.433%0.328SS..G310 helixtrans-61.9-17.6172.7-65.9174.165.3-152.8-4.8113.9N106 S107 A118 K119N106-R109 WeakPolarHBondContact O-CB 3.42Å; N106-R109 WeakPolarHBondContact O-CD 3.25Å; N106-R109 WeakPolarHBondContact O-CG 3.36Å; N106-R109 PolarHBondContact O-N 3.3Å; N106-R109 WeakPolarHBondContact OD1-CD 3.38Å; N106-R109 PolarHBondContact OD1-NH1 2.93Å; S107-R109 PolarHBondContact O-N 3.26Å; R109-A118 HydrophobicContact CG-CB 3.94Å; R109-K119 HydrophobicContact CB-CG 4.13Å; R109-K119 HydrophobicContact CG-CG 4.03Å; R109-K119 WeakPolarHBondContact O-CE 3.48Å
110K87.9Confident88.1Confident201 Ų20167.9 Ų67.987%0.87435%0.346SS*.G310 helixtrans-91.9-5.4173-68.2-171.8177.3-174.90114.2S107 F108S107-K110 PolarHBondContact O-N 2.81Å; F108-K110 PolarHBondContact O-N 2.99Å; F108-K110 VanDerWaalsContact O-N 3.15Å
111H86.5Confident88.3Confident58 Ų5867.5 Ų67.527%0.26934%0.339SS..  trans-83.4135.7-177.7-166.1-44.5000110.8F108 G115F108-H111 VanDerWaalsContact O-CB 3.32Å; F108-H111 WeakPolarHBondContact O-CB 3.21Å; F108-H111 PolarHBondContact O-N 2.9Å; H111-G115 WeakPolarHBondContact O-CA 3.29Å; H111-G115 PolarHBondContact O-N 3.41Å
112D85.4Confident88.5Confident153 Ų15368.5 Ų68.582%0.81835%0.345SS*.THydrogen-bonded Turntrans-62.8-62.1-171.7-53.9-65.1000113.2V114D112-V114 PolarHBondContact O-N 2.97Å; D112-V114 VanDerWaalsContact O-N 3.11Å
113D84.1Confident88.6Confident108 Ų10869.9 Ų69.958%0.57835%0.354SS*.THydrogen-bonded Turntrans-60.8-22.6-176.1-73.7-39000115.6P76P76-D113 HydrophobicContact CB-CB 3.79Å; P76-D113 WeakPolarHBondContact CB-OD2 3.32Å; P76-D113 WeakPolarHBondContact CG-OD2 3.38Å
114V87.9Confident88.6Confident1 Ų166.4 Ų66.41%0.00634%0.339CS..THydrogen-bonded Turntrans-135.2-4.5-165.1-141.50000114.1P76 L79 L80 L83 D112 E116 L117 A118P76-V114 HydrophobicContact CB-CG2 4.37Å; L79-V114 HydrophobicContact CB-CG2 4.49Å; L79-V114 HydrophobicContact CD2-CB 4.3Å; L79-V114 HydrophobicContact CD2-CG2 3.84Å; L79-V114 HydrophobicContact CG-CB 4.43Å; L79-V114 HydrophobicContact CG-CG1 4.39Å; L79-V114 HydrophobicContact CG-CG2 4.09Å; L80-V114 HydrophobicContact CB-CG1 3.87Å; L80-V114 HydrophobicContact CB-CG2 4.35Å; L80-V114 HydrophobicContact CD1-CG1 4.37Å; L80-V114 HydrophobicContact CG-CG1 4.23Å; L83-V114 HydrophobicContact CD1-CB 4.4Å; L83-V114 HydrophobicContact CD1-CG1 3.64Å; D112-V114 PolarHBondContact O-N 2.97Å; D112-V114 VanDerWaalsContact O-N 3.11Å; V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.41Å; V114-L117 HydrophobicContact CG1-CB 4.34Å; V114-L117 HydrophobicContact CG1-CD1 4.18Å; V114-L117 PolarHBondContact O-N 2.81Å; V114-A118 PolarHBondContact O-N 3.05Å
115G88.7Confident88.7Confident1 Ų165.5 Ų65.51%0.0133%0.333CS..Hα-helixtrans-64.1-29.2-176.300000113.9F108 H111 K119F108-G115 VanDerWaalsContact O-CA 3.32Å; F108-G115 WeakPolarHBondContact O-CA 3.45Å; H111-G115 WeakPolarHBondContact O-CA 3.29Å; H111-G115 PolarHBondContact O-N 3.41Å; G115-K119 WeakPolarHBondContact O-CB 3.36Å; G115-K119 WeakPolarHBondContact O-CD 3.4Å; G115-K119 WeakPolarHBondContact O-CE 3.36Å; G115-K119 WeakPolarHBondContact O-CG 3.5Å; G115-K119 PolarHBondContact O-N 3.18Å
116E89.6Confident88.7Confident159 Ų15972.7 Ų72.774%0.74336%0.364SS*.Hα-helixtrans-67.2-43.4173.7-61.4-161.4147.800112.7V114 K119 S120V114-E116 VanDerWaalsContact C-N 3.29Å; V114-E116 PolarHBondContact O-N 3.41Å; E116-K119 PolarHBondContact O-N 3.41Å; E116-S120 PolarHBondContact O-N 3.17Å
117L88.1Confident88.4Confident53 Ų5378 Ų7828%0.27738%0.384SS..Hα-helixtrans-66.1-43175.2-66.4172.5000110.5L80 K84 V114 K119 S120 L121L80-L117 HydrophobicContact CD1-CD1 3.94Å; L80-L117 HydrophobicContact CG-CD1 3.75Å; K84-L117 HydrophobicContact CG-CD1 4.41Å; V114-L117 HydrophobicContact CG1-CB 4.34Å; V114-L117 HydrophobicContact CG1-CD1 4.18Å; V114-L117 PolarHBondContact O-N 2.81Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.05Å; L117-S120 PolarHBondContact O-N 3.13Å; L117-S120 PolarHBondContact O-OG 3.15Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.86Å
118A90.5Very high87.9Confident0 Ų078.2 Ų78.20%038%0.379CS..Hα-helixtrans-59.5-42.6173.600000112.5V105 F108 R109 V114 V122V105-A118 HydrophobicContact CG1-CB 4.04Å; F108-A118 HydrophobicContact CB-CB 4.16Å; R109-A118 HydrophobicContact CG-CB 3.94Å; V114-A118 PolarHBondContact O-N 3.05Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-V122 VanDerWaalsContact O-N 3.1Å
119K91.4Very high87.4Confident103 Ų10379.8 Ų79.845%0.44839%0.391SS..Hα-helixtrans-61.4-43.2174.3-71.8157.4-157.4167.10111.3R109 G115 E116 L117 A123R109-K119 HydrophobicContact CB-CG 4.13Å; R109-K119 HydrophobicContact CG-CG 4.03Å; R109-K119 WeakPolarHBondContact O-CE 3.48Å; G115-K119 WeakPolarHBondContact O-CB 3.36Å; G115-K119 WeakPolarHBondContact O-CD 3.4Å; G115-K119 WeakPolarHBondContact O-CE 3.36Å; G115-K119 WeakPolarHBondContact O-CG 3.5Å; G115-K119 PolarHBondContact O-N 3.18Å; E116-K119 PolarHBondContact O-N 3.41Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.05Å; K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å
120S91.1Very high86.3Confident63 Ų6379.2 Ų79.244%0.44140%0.401SS..Hα-helixtrans-69.8-36.8-178.877.70000113E116 L117 A123 K124E116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 3.13Å; L117-S120 PolarHBondContact O-OG 3.15Å; S120-A123 PolarHBondContact O-N 3.23Å; S120-K124 PolarHBondContact O-N 2.96Å
121L90.5Very high84.5Confident13 Ų1377.9 Ų77.97%0.06840%0.398CS..Hα-helixtrans-65.7-48.3175.1-68.6168.6000111.9L83 V105 L117 A123 K124 W125L83-L121 HydrophobicContact CB-CD1 4.01Å; L83-L121 HydrophobicContact CD2-CD1 3.92Å; L83-L121 WeakPolarHBondContact O-CD1 3.25Å; V105-L121 HydrophobicContact CG1-CB 4.21Å; V105-L121 HydrophobicContact CG1-CD1 4.23Å; L117-L121 VanDerWaalsContact O-CG 3.25Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 2.86Å; L121-A123 VanDerWaalsContact C-N 3.25Å; L121-A123 PolarHBondContact O-N 2.85Å; L121-K124 WeakPolarHBondContact O-CB 3.36Å; L121-K124 PolarHBondContact O-N 3.02Å; L121-K124 VanDerWaalsContact O-N 3.08Å; L121-W125 PolarHBondContact O-N 3.14Å
122V89.9Confident82.4Confident21 Ų2182.1 Ų82.113%0.12743%0.428CS..Hα-helixtrans-61.2-36.6175172.80000110.9V105 N106 A118 W125 K126V105-V122 HydrophobicContact CG1-CG2 4.2Å; N106-V122 HydrophobicContact CB-CG2 4.32Å; A118-V122 WeakPolarHBondContact O-CG2 3.47Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-V122 VanDerWaalsContact O-N 3.1Å; V122-W125 PolarHBondContact O-N 2.86Å; V122-K126 HydrophobicContact CG1-CD 4.24Å; V122-K126 HydrophobicContact CG1-CG 4.41Å; V122-K126 WeakPolarHBondContact O-CB 3.22Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.08Å
123A88.9Confident80.3Confident52 Ų5278.4 Ų78.443%0.4342%0.418SS..Hα-helixtrans-68.3-35.4173.400000113.5K119 S120 L121K119-A123 WeakPolarHBondContact O-CB 3.44Å; K119-A123 PolarHBondContact O-N 2.91Å; S120-A123 PolarHBondContact O-N 3.23Å; L121-A123 VanDerWaalsContact C-N 3.25Å; L121-A123 PolarHBondContact O-N 2.85Å
124K88.2Confident78.1Confident100 Ų10081.2 Ų81.244%0.43543%0.433SS..Hα-helixtrans-63.4-48.6172.3-177.8179.4175-179.70110.3G87 S120 L121 K127G87-K124 PolarHBondContact O-NZ 3.49Å; S120-K124 PolarHBondContact O-N 2.96Å; L121-K124 WeakPolarHBondContact O-CB 3.36Å; L121-K124 PolarHBondContact O-N 3.02Å; L121-K124 VanDerWaalsContact O-N 3.08Å; K124-K127 WeakPolarHBondContact O-CB 3.43Å; K124-K127 PolarHBondContact O-N 3.3Å
125W90.4Very high75.5Confident5 Ų592.1 Ų92.12%0.01947%0.474CS..Hα-helixtrans-70-35.8-178.3-60-23.3000113.6L86 M91 L96 V101 V105 L121 V122 K127 L128 V129L86-W125 HydrophobicContact CD1-CZ2 4.4Å; L86-W125 HydrophobicContact CD2-CH2 3.93Å; L86-W125 HydrophobicContact CD2-CZ2 4.41Å; L86-W125 HydrophobicContact CG-CH2 3.97Å; L86-W125 HydrophobicContact CG-CZ2 3.93Å; M91-W125 HydrophobicContact CE-CH2 4.34Å; M91-W125 HydrophobicContact CE-CZ2 3.75Å; M91-W125 HydrophobicContact CG-CD2 4.44Å; M91-W125 HydrophobicContact CG-CG 4.26Å; L96-W125 HydrophobicContact CD1-CB 4.41Å; L96-W125 HydrophobicContact CD1-CD2 3.92Å; L96-W125 HydrophobicContact CD1-CE3 3.6Å; L96-W125 HydrophobicContact CD1-CG 4.29Å; L96-W125 HydrophobicContact CD1-CZ3 4.1Å; L96-W125 HydrophobicContact CD2-CB 3.97Å; V101-W125 HydrophobicContact CG1-CH2 4.03Å; V101-W125 HydrophobicContact CG1-CZ3 4.17Å; V101-W125 HydrophobicContact CG2-CH2 4.33Å; V105-W125 HydrophobicContact CB-CH2 4.29Å; V105-W125 HydrophobicContact CB-CZ3 3.92Å; V105-W125 HydrophobicContact CG1-CZ3 4.31Å; V105-W125 HydrophobicContact CG2-CH2 3.79Å; V105-W125 HydrophobicContact CG2-CZ3 3.88Å; L121-W125 PolarHBondContact O-N 3.14Å; V122-W125 PolarHBondContact O-N 2.86Å; W125-K127 PolarHBondContact O-N 3.35Å; W125-K127 VanDerWaalsContact O-N 3.1Å; W125-L128 PolarHBondContact O-N 3.05Å; W125-V129 PolarHBondContact O-N 3.38Å
126K87.3Confident73.3Confident152 Ų15298.5 Ų98.566%0.66152%0.516SS*.THydrogen-bonded Turntrans-65.3-7.4171.7-75.7-17169.8172.70114.7V122V122-K126 HydrophobicContact CG1-CD 4.24Å; V122-K126 HydrophobicContact CG1-CG 4.41Å; V122-K126 WeakPolarHBondContact O-CB 3.22Å; V122-K126 WeakPolarHBondContact O-CG 3.27Å; V122-K126 PolarHBondContact O-N 3.08Å
127K84.7Confident70.7Confident181 Ų18198.5 Ų98.579%0.78752%0.521SS*.THydrogen-bonded Turntrans-96.3-14.5168.4-67.3178.5178.7-173.90113.6K124 W125K124-K127 WeakPolarHBondContact O-CB 3.43Å; K124-K127 PolarHBondContact O-N 3.3Å; W125-K127 PolarHBondContact O-N 3.35Å; W125-K127 VanDerWaalsContact O-N 3.1Å
128L79.5Confident68.4Low80 Ų80100.6 Ų100.642%0.41954%0.54SS..THydrogen-bonded Turntrans-88.8-31.4178.6-62.4174.1000111.8M91 V93 W125 P130M91-L128 HydrophobicContact CB-CD1 4.25Å; M91-L128 WeakPolarHBondContact O-CD1 3.34Å; V93-L128 WeakPolarHBondContact CG2-O 3.33Å; W125-L128 PolarHBondContact O-N 3.05Å; L128-P130 VanDerWaalsContact O-CD 3.29Å; L128-P130 WeakPolarHBondContact O-CD 3.49Å
129V76.3Confident65.6Low65 Ų65109.5 Ų109.539%0.39458%0.581SS.*SBendtrans-67.3118167.1-177.10000108.5V93 L96 W125 Q131V93-V129 HydrophobicContact CG1-CG2 4.4Å; V93-V129 HydrophobicContact CG2-CG2 4.42Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å; W125-V129 PolarHBondContact O-N 3.38Å; V129-Q131 PolarHBondContact O-N 2.76Å
130P66.3Low63.3Low95 Ų95109.9 Ų109.962%0.61759%0.594SS**  trans-60.5129.8172.7-21.133.1000109.6L128 T132L128-P130 VanDerWaalsContact O-CD 3.29Å; L128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-T132 PolarHBondContact O-N 2.92Å; P130-T132 VanDerWaalsContact O-N 3.17Å
131Q49.5Very low60.6Low172 Ų172116.1 Ų116.180%0.80461%0.613SS**  trans-70.6113.1167.1-66-172.123.300107.6V129 A133V129-Q131 PolarHBondContact O-N 2.76Å; Q131-A133 HydrophobicContact CB-CB 4.32Å; Q131-A133 PolarHBondContact O-N 2.8Å
132T42.2Very low57.7Low148 Ų148121.2 Ų121.291%0.90865%0.647SS**  trans-69.47817251.30000109.1P130P130-T132 PolarHBondContact O-N 2.92Å; P130-T132 VanDerWaalsContact O-N 3.17Å
133A41.9Very low54.8Low74 Ų74124.1 Ų124.161%0.61267%0.673SS**  trans-112.223.9-16800000113.3Q131 R135Q131-A133 HydrophobicContact CB-CB 4.32Å; Q131-A133 PolarHBondContact O-N 2.8Å; A133-R135 PolarHBondContact O-N 3.33Å
134D36Very low53Low167 Ų167127.1 Ų127.189%0.89369%0.689SS**  trans-75.273.6164.6-85.9-50.3000111
135R35.3Very low50.2Low231 Ų231131 Ų13187%0.87271%0.708SS**  trans-134.7103151.8-104.7-173.1170.2-171.2-3.3107.8A133 N137A133-R135 PolarHBondContact O-N 3.33Å; R135-N137 PolarHBondContact O-N 3.13Å
136P41.6Very low47.1Very low135 Ų135135.1 Ų135.188%0.87774%0.738SS**  trans-66.7134.4-172.826-34000111.4
137N36Very low44.3Very low158 Ų158135 Ų13585%0.84574%0.739SS**  trans-102.3103.5-177.817135.1000111.4R135R135-N137 PolarHBondContact O-N 3.13Å
138S39Very low41.7Very low98 Ų98134.1 Ų134.169%0.68574%0.737SS**  trans-176.5121.5142.356.40000112.3
139H32.5Very low39.2Very low187 Ų187139.6 Ų139.687%0.86675%0.753SS**  trans-153.8138.5136.9-111.9-82.4000108.6
140P41.8Very low36.8Very low110 Ų110139.9 Ų139.971%0.71476%0.758SS**  trans-76.3160.1-175.231.5-35.8000112.5P142P140-P142 WeakPolarHBondContact O-CD 3.42Å
141K33.8Very low34.9Very low194 Ų194145 Ų14584%0.84377%0.766SS**  trans-72.7127.5179.9-178.2-177.5-175.9-179.80112.4
142P30.8Very low33.9Very low121 Ų121148 Ų14879%0.78677%0.77SS**  trans-113.9171.6139.737.3-33.1000111.3P140P140-P142 WeakPolarHBondContact O-CD 3.42Å
143A29.1Very low33.1Very low82 Ų82148.3 Ų148.368%0.67876%0.761SS**  trans-158.8168171.600000108
144P50.2Low33Very low115 Ų115150.1 Ų150.175%0.74777%0.766SS**  cis-120.6-140.4-8.537-17.8000110.3
145Q29.1Very low32.6Very low182 Ų182146.4 Ų146.485%0.8575%0.754SS**  trans75.3145.5174-59.9-178.8-9.800116.4
146S25.7Very low33.1Very low91 Ų91139.9 Ų139.964%0.63674%0.741SS**  cis-164.6158.7-20.453.10000112
147H29.6Very low32.5Very low149 Ų149141.7 Ų141.769%0.6974%0.738SS**  trans37.4117.3148.8-67-61.8000121.3
148H28.8Very low32.3Very low162 Ų162142.8 Ų142.875%0.7574%0.738SS**  72.2154.2128.1-66.6-33.9000119.3
149R27Very low31.9Very low196 Ų196147 Ų14774%0.7475%0.747SS**  cis-178.6161.8-11.5164.5-174.4173.4176.53107.7
150S25.7Very low31.6Very low71 Ų71149.7 Ų149.750%0.49775%0.749SS.*  trans70.2155.2156.2-91.40000118.3
151Y28.1Very low30.8Very low201 Ų201149.9 Ų149.979%0.78875%0.754SS**  cis-129175.8-16.2-68.6-80.5000106.5
152R27.2Very low30.4Very low236 Ų236150 Ų15089%0.89175%0.75SS**  cis-163.4136.421.4-167.8156.5178.6164.7-0.3111.5
153E25.8Very low30.4Very low155 Ų155149.6 Ų149.672%0.72475%0.745SS**  trans-96.5-179.8159.2-112.7-159.9117.300109.8
154P40.8Very low30.4Very low111 Ų111151.7 Ų151.772%0.72174%0.741SS**  cis-111.9173.45.63.923.3000113.6
155S26.6Very low29.5Very low90 Ų90155.8 Ų155.863%0.62975%0.75SS**  66.915459.3-135.40000112.5
156P45Very low29.6Very low93 Ų93155.6 Ų155.660%0.60475%0.749SS**  cis-84.9-1591439.7-40.5000114
157E30.6Very low29.9Very low173 Ų173160.8 Ų160.881%0.80876%0.763SS**  cis-157.9-154.118.6-148.1122.5-113.400114.2
158E30.7Very low29.8Very low182 Ų182163 Ų16385%0.8577%0.774SS**  trans-92.5168.8-167.3-68.2-177.6120.200114.6
159E30.4Very low30Very low187 Ų187162.9 Ų162.987%0.87477%0.774SS**  cis-146.1169.628.2-164.9176-14900113.4
160R26.3Very low30Very low242 Ų242161.7 Ų161.791%0.91378%0.777SS**  trans-132.2155.4-175.8-71.3175.2170.3162.3-5.4113.7
161S24.7Very low30Very low115 Ų115164.5 Ų164.580%0.80478%0.784SS**  trans-156.7134.1145.611.60000108.6
162Y26Very low29.9Very low195 Ų195160.6 Ų160.677%0.76578%0.78SS**  68.713561.1-105.1-126.7000113E164Y162-E164 HydrophobicContact CD1-CG 4.17Å; Y162-E164 HydrophobicContact CE1-CG 3.74Å; Y162-E164 VanDerWaalsContact CE1-OE1 3.23Å; Y162-E164 WeakPolarHBondContact CE1-OE1 3.45Å
163V30.4Very low30Very low113 Ų113157.6 Ų157.669%0.68577%0.77SS**  cis-130.5137.527.1-92.90000112.1
164E30.3Very low30Very low126 Ų126157.7 Ų157.759%0.58977%0.77SS**  74.7124.795-62.3173.4155.500117.2Y162Y162-E164 HydrophobicContact CD1-CG 4.17Å; Y162-E164 HydrophobicContact CE1-CG 3.74Å; Y162-E164 VanDerWaalsContact CE1-OE1 3.23Å; Y162-E164 WeakPolarHBondContact CE1-OE1 3.45Å
165E31.4Very low29.3Very low202 Ų202158 Ų15894%0.94478%0.775SS**  trans-131.5134.1147.7-75.4-175.5144.600106.2
166E30.5Very low29.4Very low177 Ų177160.6 Ų160.683%0.82778%0.782SS**  trans-120.7126.8174.7-71.3-169.713800110.5
167E31.2Very low28.6Very low200 Ų200167 Ų16794%0.93580%0.796SS**  trans-138.3131.5154.2-75.2-165.5144.400107.8
168E28.2Very low28.5Very low197 Ų197166.7 Ų166.792%0.92179%0.792SS**  trans-85.8169.1-176.9-75.6-170.8124.800114.2
169E32.7Very low29Very low158 Ų158163.7 Ų163.774%0.73879%0.789SS**  trans-70.1177.2-176.7-52.5-172.8117.100112.5M171E169-M171 VanDerWaalsContact OE1-CE 3.25Å; E169-M171 WeakPolarHBondContact OE1-CE 3.31Å
170E28.1Very low28.9Very low172 Ų172159 Ų15980%0.80478%0.776SS**  cis-124151.517.8-58.3173.7103.500110.9
171M25.6Very low30.2Very low130 Ų130153 Ų15364%0.6477%0.769SS**  cis75.2161.437.9-134.4-151.6-61.400115.6E169 Y173E169-M171 VanDerWaalsContact OE1-CE 3.25Å; E169-M171 WeakPolarHBondContact OE1-CE 3.31Å; M171-Y173 HydrophobicContact SD-CE2 4.46Å
172V25Very low31.2Very low118 Ų118152.1 Ų152.172%0.71576%0.76SS**  trans79.5117.3179.9-172.10000116.5
173Y29.6Very low31.4Very low173 Ų173150.2 Ų150.268%0.67876%0.758SS**  cis-161.5167.8-21.5-138.5-134.7000111.4M171M171-Y173 HydrophobicContact SD-CE2 4.46Å
174Q26.4Very low31.4Very low157 Ų157152 Ų15273%0.73476%0.759SS**  trans-4.8135.6163.1-59.4172.4-1.600120.5
175S26.2Very low31.4Very low118 Ų118152.3 Ų152.383%0.82576%0.761SS**  -168.4159.3107.7-163.30000113.2
176N27.9Very low31.3Very low144 Ų144149.8 Ų149.877%0.7775%0.749SS**  trans-95.6139167.9-60.8-77000109.8
177Y28.3Very low31.3Very low227 Ų227151.6 Ų151.689%0.8975%0.75SS**  -179145.4124.8-116.4-123000113.2
178F29.5Very low31.4Very low168 Ų168147.3 Ų147.374%0.73774%0.741SS**  trans-89.6152.2151.8-127.4-116000106.3
179P40.6Very low32.6Very low119 Ų119143.5 Ų143.577%0.77373%0.734SS**  -146.1-148.852.641.4-19.5000114.5
180S27.8Very low33.3Very low88 Ų88140.9 Ų140.962%0.61573%0.731SS**  trans-109.5-165-154.2-39.60000113.2
181P53.4Low33.5Very low117 Ų117140 Ų14076%0.7673%0.727SS**  trans-93.6-169.5-150.344.5-44.2000114.3
182P45.5Very low33.6Very low96 Ų96144.9 Ų144.962%0.62374%0.738SS**  -153.5175.688.441.7-23.2000117.3
183Q31.3Very low33.9Very low155 Ų155143.1 Ų143.172%0.72474%0.744SS**  trans67.3119.8142.5-82.8163.3-9.100119.6
184Q29.8Very low33.8Very low149 Ų149138.8 Ų138.870%0.69675%0.751SS**  74.9143.189.6-75.4-175.21.700113.6
185Q31.1Very low34Very low133 Ų133141.7 Ų141.762%0.62176%0.757SS**  cis-162.4162.318.7-131.7176.585.400112.3
186Q28.5Very low34.2Very low149 Ų149144 Ų14470%0.69675%0.754SS**  trans75130.8149.5-70.2-167.940.300124.5
187Y30.1Very low34.5Very low216 Ų216140.6 Ų140.685%0.84774%0.742SS**  trans73.7163.2144.8-88.3-94000122.3
188S34.7Very low34.8Very low109 Ų109137.8 Ų137.876%0.76274%0.737SS**  trans-149.3-148.9-153.2-52.80000114.4
189P52Low34.8Very low118 Ų118138.1 Ų138.177%0.76674%0.741SS**  trans-84-178-131.547.1-40000114
190P47.9Very low34.5Very low102 Ų102142.8 Ų142.866%0.66275%0.745SS**  cis-147.2-156.821.642.5-19000117.1
191Q31.7Very low35Very low154 Ų154147.1 Ų147.172%0.7276%0.756SS**  trans88150.4171.9-47.7-60.4-1400117.3
192R29.1Very low34.7Very low233 Ų233146.6 Ų146.688%0.87975%0.752SS**  cis171.7117.1-39.9169.2-179-169-167.45.9107.8
193G30.9Very low34.4Very low81 Ų81151.2 Ų151.284%0.83577%0.765SS**  trans172.7131.2172.300000111.9
194G26.2Very low35.4Very low81 Ų81149.2 Ų149.284%0.83577%0.766SS**  trans158.186.1-176.900000114.1
195Y31.7Very low35.9Very low218 Ų218147.6 Ų147.686%0.85577%0.771SS**  trans-163.2149.5164.876.4-102.2000105.8
196E30Very low37.2Very low166 Ų166147.1 Ų147.178%0.77678%0.78SS**  cis-146.91671.4-93.9-157.275.500106.7
197S35Very low38.4Very low74 Ų74145.9 Ų145.952%0.51778%0.784SS.*  cis-167.3-176.9-11.8-92.80000108.2
198E34.3Very low39.3Very low167 Ų167144 Ų14478%0.7879%0.788SS**  trans72.1145.9170.6-52-52.8153.900117.8
199E29.4Very low40.4Very low176 Ų176146.9 Ų146.982%0.82279%0.794SS**  cis-149.6174.1-4.5-155.3-179.4158.700109.6
200Y34.6Very low40.7Very low217 Ų217146.6 Ų146.685%0.85179%0.792SS**  trans96.9108.8164-153.1-91.5000118.2
201E37.7Very low41.3Very low179 Ų179147.3 Ų147.384%0.83680%0.797SS**  trans-119.2138.2175.7-170.5-175.6-132.100111.8
202P46.2Very low42.7Very low106 Ų106145.7 Ų145.769%0.68880%0.8SS**PPolyproline II helixtrans-92.4147.7176.935.3-33.9000114.6
203E39.6Very low43.7Very low192 Ų192140.7 Ų140.790%0.89780%0.797SS**PPolyproline II helixtrans-64.4145.9-173.8-82.8-156.7137.800116.6
204P52.1Low45Very low114 Ų114144.7 Ų144.774%0.7480%0.799SS**PPolyproline II helixtrans-90.7159163.736.9-33.9000113.7
205S41.7Very low46.4Very low114 Ų114146.3 Ų146.380%0.79779%0.794SS**PPolyproline II helixtrans-77.6156.7-177.544.80000114.8
206P57.8Low47.3Very low124 Ų124142.2 Ų142.281%0.80579%0.794SS**PPolyproline II helixtrans-77.8146.4-162.228.8-36.6000115.7
207P53.7Low47.8Very low123 Ų123138.9 Ų138.980%0.79980%0.796SS**PPolyproline II helixtrans-85.6165-176.734.6-37000115.1
208L48.9Very low47.8Very low175 Ų175145.9 Ų145.992%0.91681%0.811SS**PPolyproline II helixtrans-77.4151.4-179.1-62.1170.7000113.5
209L57.9Low47.7Very low171 Ų171145.9 Ų145.990%0.89581%0.808SS**PPolyproline II helixtrans-82.3145.7-179.5-68.1173.2000113.6
210P58.6Low48.1Very low112 Ų112145.4 Ų145.473%0.72781%0.806SS**PPolyproline II helixtrans-82.9159.9178.934.1-36.3000113.9
211P61.1Low48.1Very low117 Ų117142 Ų14276%0.7680%0.801SS**PPolyproline II helixtrans-76.1156.8179.931.6-36.3000113.9
212P59.2Low48.1Very low120 Ų120143.6 Ų143.678%0.77980%0.799SS**PPolyproline II helixtrans-74.6153.7-17830.8-36.1000113.8
213P51.3Low47.3Very low128 Ų128147.3 Ų147.383%0.83181%0.807SS**PPolyproline II helixtrans-80.1151.7-173.532.1-36.4000114.5
214L57.9Low46.9Very low165 Ų165143.6 Ų143.686%0.86480%0.802SS**PPolyproline II helixtrans-77.3147.5173.1-70.5167.2000112.2
215P55.5Low46.1Very low114 Ų114147.6 Ų147.674%0.7481%0.808SS**PPolyproline II helixtrans-74.1143.7177.730.6-35000112.4
216P49.8Very low46Very low132 Ų132147.8 Ų147.886%0.85781%0.807SS**PPolyproline II helixtrans-79.1134.5-177.531.3-34.9000112.7
217A41.6Very low44.4Very low97 Ų97147 Ų14780%0.80280%0.804SS**PPolyproline II helixtrans-91.8132169.300000111.2
218R34.7Very low43.5Very low221 Ų221149.2 Ų149.283%0.83480%0.801SS**  trans-162.6140.7154.4-119-174.2172.8-171.9-0.9116.4
219K33.3Very low42.5Very low167 Ų167147 Ų14773%0.72679%0.79SS**  trans69.7116.3153.8-66.1-175.6175.3-174.10119.6
220E37.4Very low41.3Very low165 Ų165145.6 Ų145.677%0.77178%0.778SS**  trans-60.8145.4147-58.9-172.2164.300111.3
221I34.5Very low40.1Very low146 Ų146148.1 Ų148.175%0.74978%0.78SS**  trans-135.5131143.4-61.2-175.6000107.3
222R36.3Very low38.7Very low213 Ų213149.5 Ų149.580%0.80478%0.776SS**  trans-82141.4-179.8-52.6168.4177.8-179.1-3110.7
223H30.5Very low37.2Very low183 Ų183153.9 Ų153.985%0.84778%0.777SS**  trans-144.5154.4153-82.6-60000113.6
224S30.2Very low36.1Very low115 Ų115152.9 Ų152.980%0.80477%0.765SS**  trans-92.4165.9-155.3-510000115.8
225K36.6Very low34.9Very low198 Ų198153.1 Ų153.186%0.86176%0.762SS**  trans-67.4152.8163.8-60.4177.2-179175.90111.5
226P38.3Very low33.9Very low118 Ų118153.4 Ų153.477%0.76675%0.753SS**  -115.9152.6106.8-8.128.1000112.2
227S25.9Very low32.9Very low107 Ų107157.6 Ų157.675%0.74875%0.752SS**  77130.759-144.10000112.1
228K33.1Very low32.2Very low169 Ų169162.7 Ų162.774%0.73575%0.75SS**  cis-170.8177.2-10.4-138.2-176.5177.6-173.80110.3
229N28.1Very low32Very low128 Ų128161.4 Ų161.468%0.68475%0.751SS**  trans90121.4166-56-12.3000116.2
230H33Very low31.8Very low142 Ų142158.5 Ų158.566%0.65776%0.758SS**  72.7130.757.1-64.2-65.5000111.7
231H32.8Very low31.4Very low166 Ų166154.7 Ų154.777%0.76976%0.763SS**  cis-119.2154.124.1-88.3-98.4000113.8
232H32.4Very low31.1Very low146 Ų146153.6 Ų153.668%0.67677%0.768SS**  52139.187.3-96.3-75.6000113.8D234H232-D234 IonicContact ND1-OD1 3.39Å
233R27.3Very low30.7Very low212 Ų212149 Ų14980%0.876%0.76SS**  cis-160.1144.930.7-172.1176.2177.9-171.1-3.4113.7
234D29.8Very low30.9Very low106 Ų106151.2 Ų151.257%0.56776%0.76SS**  trans15.5155.8150.7-23.4-33.6000121.8H232H232-D234 IonicContact ND1-OD1 3.39Å
235E32.1Very low30.6Very low171 Ų171149.7 Ų149.780%0.79976%0.763SS**  cis-150.2-179.217-125.1-140.4179.900114.4
236E35.2Very low30.2Very low119 Ų119144.3 Ų144.356%0.55676%0.764SS**  trans-15.2151.7164.8-69.1-82.1114.400118.8W238E236-W238 PolarHBondContact OE2-NE1 3.25Å
237R27.8Very low29.7Very low220 Ų220142.2 Ų142.283%0.8376%0.764SS**  cis-168.514843.3-153.1158.2-164.6-160.1-0.8114.5
238W26.5Very low29.8Very low205 Ų205146.6 Ų146.678%0.77777%0.769SS**  trans-26.2146.9170.5-44.881000118.3E236E236-W238 PolarHBondContact OE2-NE1 3.25Å
239K31.7Very low29.8Very low194 Ų194147.9 Ų147.984%0.84378%0.775SS**  cis-164155.548.7-83.3-170.9175.2-177.10115.2
240A28Very low29.8Very low106 Ų106153.3 Ų153.388%0.87679%0.786SS**  trans32126.1141.200000122.5
241G29Very low29.5Very low84 Ų84151.7 Ų151.787%0.86679%0.79SS**  trans-171.8138161.300000111.1
242S29.5Very low29.3Very low124 Ų124148.3 Ų148.387%0.86779%0.791SS**  trans-102.8165.5-176.4-164.20000113.2
243D27.9Very low29Very low116 Ų116147.2 Ų147.262%0.6279%0.79SS**  trans83111.9161.2-143.1-120.7000120.7
244R32.8Very low29.2Very low230 Ų230145.9 Ų145.987%0.86879%0.785SS**  trans44.4124.5141-65.1171.8177.7164.5-5.5121.2
245G25.2Very low29.2Very low83 Ų83146.7 Ų146.786%0.85679%0.785SS**  trans-134.2-26.6179.200000120.2
246G27.8Very low29.1Very low85 Ų85147.9 Ų147.988%0.87678%0.782SS**  trans74158.8173.200000117.9
247G27.1Very low28.9Very low74 Ų74148 Ų14876%0.76379%0.792SS**  trans-158.918.3-160.100000123.6
248K29.5Very low29.1Very low198 Ų198144.4 Ų144.486%0.86179%0.789SS**  trans48.1124.7158.6-57.3167.5-178.6164.40121.4
249K31.9Very low29.2Very low197 Ų197140 Ų14086%0.85779%0.789SS**  177.1142.4127.3-92.8150.6-174.4-1800107.6
250R28Very low29.7Very low242 Ų242136.9 Ų136.991%0.91379%0.789SS**  64.7136.553.4-74.6-172.7169.8-165.4-3.5113.3
251S26.2Very low30.7Very low108 Ų108137.5 Ų137.576%0.75578%0.784SS**  cis-176.9142.8-13.6-175.10000109.8
252A29.5Very low32Very low95 Ų95138 Ų13879%0.78577%0.772SS**  trans64.3167.7171.800000115.2
253D27.1Very low32.8Very low122 Ų122138.2 Ų138.265%0.65277%0.77SS**  cis-147.916612.2-171.9-144.6000113.3
254R30.3Very low33.1Very low184 Ų184139.2 Ų139.269%0.69477%0.771SS**  trans90.5125.3142-124.3174-172.893.9-3.6124.5
255E29.4Very low33.2Very low124 Ų124136.3 Ų136.358%0.57977%0.765SS**  trans44.2145.7144.1-72.5178.184.800120.6
256R30.6Very low33.4Very low195 Ų195139.3 Ų139.374%0.73676%0.755SS**  cis-150166.57.7-115.6163.2-167.5-132.82.1107.4
257T31.6Very low33.6Very low123 Ų123144.3 Ų144.376%0.75576%0.755SS**  -165.4155.568.438.50000114.2
258N31Very low33.8Very low143 Ų143145.3 Ų145.377%0.76575%0.75SS**  trans21.6133.4149.3-53.2-1.4000122.7
259S28.8Very low33.9Very low113 Ų113146.8 Ų146.879%0.7975%0.75SS**  trans-93.5172.2155.3-43.80000110.9
260P43.2Very low33.8Very low128 Ų128146.2 Ų146.283%0.83175%0.748SS**  -143.1-172.28630-6000114
261P47.7Very low33.9Very low120 Ų120139.6 Ų139.678%0.77974%0.739SS**  trans-122.6-177.6-146.945.4-34.9000117.5
262P57.3Low34.2Very low95 Ų95140.4 Ų140.462%0.61774%0.739SS**  trans-111.8161.9-16841.6-36.1000118.7Q264P262-Q264 PolarHBondContact O-NE2 2.96Å; P262-Q264 VanDerWaalsContact O-NE2 3.12Å
263P45.6Very low35Very low127 Ų127141.1 Ų141.183%0.82574%0.736SS**  trans-75.3175.3160.832.7-33.1000113.3
264Q34.8Very low35Very low137 Ų137143.7 Ų143.764%0.6474%0.743SS**  trans-153.8159.3-150.9-71.714550.700115.7P262P262-Q264 PolarHBondContact O-NE2 2.96Å; P262-Q264 VanDerWaalsContact O-NE2 3.12Å
265K33.9Very low34.9Very low170 Ų170140.6 Ų140.674%0.73974%0.741SS**  trans80.5165.8154.8-66.7146.1-177.4156.20116.7
266K30.1Very low34.9Very low146 Ų146139.7 Ų139.764%0.63574%0.744SS**  cis-168.3164.213.5-135.8163.5168-167.20112.6
267H32.8Very low35.1Very low189 Ų189139.4 Ų139.488%0.87575%0.748SS**  trans69.2159.4155.8-56.8-40.3000119.7
268S29.5Very low35.1Very low95 Ų95141.1 Ų141.166%0.66475%0.745SS**  cis-168.2144-25.1174.10000113.5
269R32.6Very low35.3Very low230 Ų230140.4 Ų140.487%0.86874%0.737SS**  trans27.9121.6149.5-63.7173.9177.6178.8-2.2120.7
270K29.2Very low35.6Very low185 Ų185141.5 Ų141.580%0.80473%0.73SS**  64.5111.585.7-177.269.2179.8179.50112.8
271S29.9Very low35.2Very low103 Ų103142.2 Ų142.272%0.7272%0.719SS**  -171.4171.683.2-68.10000114.9
272T32.9Very low34.8Very low125 Ų125145.6 Ų145.677%0.76772%0.722SS**  trans-114.7-178.2160.953.20000109
273P45.9Very low33.6Very low110 Ų110150.6 Ų150.671%0.71473%0.734SS**  cis-142.5-174.96.245.2-26.3000118.1
274H28.6Very low32.7Very low175 Ų175147.6 Ų147.681%0.8173%0.726SS**  trans65.5156.3160.3-96.1-113000119.1
275D27.3Very low32.3Very low120 Ų120144.7 Ų144.764%0.64273%0.733SS**  cis-159167.431.6-157.2-149.7000117.3
276T30.2Very low32.1Very low104 Ų104146.2 Ų146.264%0.63874%0.743SS**  trans43.7116.9155.2470000128.9
277K33.4Very low32.2Very low190 Ų190147.2 Ų147.283%0.82676%0.755SS**  85.9151.1105.2-158.8173.5-177.8179.10124.9
278K32.1Very low32.2Very low159 Ų159142.1 Ų142.169%0.69175%0.746SS**  trans84.9145.3168.6-86.9-151172.4-143.60118.7
279E34.4Very low32.3Very low128 Ų128149.2 Ų149.260%0.59876%0.758SS**  cis-167.4158.1-16-135.2177.6-151.200115
280E35.7Very low32.8Very low136 Ų136144.1 Ų144.164%0.63676%0.755SS**  trans55159.3155.6-62.5-142104.900122.3
281K35.9Very low32.8Very low142 Ų142146.9 Ų146.962%0.61776%0.76SS**  cis-158.51452-138.7164.6-177.6120.70114.7
282K38.4Very low34.2Very low192 Ų192147.6 Ų147.684%0.83576%0.763SS**  trans44.2140.8154.2-74.3177.7176-176.60120.6
283K32.2Very low34.8Very low199 Ų199147 Ų14787%0.86576%0.76SS**  cis-141.9-177.831-123.6-169.3173.2-166.40110.8
284G27Very low34.4Very low64 Ų64150.3 Ų150.366%0.6676%0.764SS**  cis121.597-14.800000117.8
285G26.8Very low34.3Very low77 Ų77147.9 Ų147.979%0.79476%0.757SS**  trans175.7141.7168.400000113.7
286E28.6Very low34.7Very low201 Ų201147.2 Ų147.294%0.93976%0.762SS**  trans-147.9176.4-164.6-61.3-177.5127.200115.3
287D31.9Very low35Very low167 Ų167148.1 Ų148.189%0.89377%0.769SS**  trans88.9162.1166.6-128.3-36.1000120.9
288A34Very low34.8Very low83 Ų83144.4 Ų144.469%0.68677%0.767SS**  trans-151-169.3-139.400000118.8
289R30.2Very low34.8Very low244 Ų244146 Ų14692%0.92177%0.774SS**  trans80.9158.4174.7-77.4-179.3159.6-156.6-2.5118.3
290P44.9Very low34.8Very low122 Ų122148.5 Ų148.579%0.79279%0.786SS**  cis-128-169.9-13.932.4-10.9000115
291R29.3Very low34.6Very low243 Ų243149.1 Ų149.192%0.91779%0.793SS**  trans-92.4174.1176-56.9174174.9172.5-4.1111.5
292P58.1Low34.8Very low119 Ų119149.9 Ų149.977%0.77380%0.804SS**  cis-128.9-143.34.644.4-24.5000111.2
293P46.2Very low34.7Very low111 Ų111149 Ų14972%0.72181%0.809SS**  cis-136.8158.3-1638.6-19.3000119.2
294K36.2Very low35.2Very low180 Ų180146.6 Ų146.678%0.78381%0.805SS**  trans13128.2136.1-163.8172.1-179.3-174.10120.4
295D27.1Very low35.8Very low124 Ų124152.6 Ų152.666%0.66381%0.813SS**  -155.615270.2-137.6-34.5000118.7
296S36Very low36.2Very low107 Ų107156.8 Ų156.875%0.74881%0.813SS**  trans61151.9161-67.10000122.1
297P37.4Very low37.1Very low122 Ų122151.2 Ų151.279%0.79280%0.801SS**  trans-127.9149.7-155.538.9-21.5000117.2
298S27.8Very low37.8Very low112 Ų112150.2 Ų150.278%0.78379%0.79SS**  trans-86.6160.2154.9480000110.9
299K32.5Very low38.7Very low193 Ų193151.9 Ų151.984%0.83979%0.794SS**  trans-110.2130.9172.3-75.2-169.5172.3-161.60111
300E34Very low39.7Very low180 Ų180147.6 Ų147.684%0.84179%0.787SS**  trans-124.9137.7154.9-66.6170.6-178.500105.3
301D31.8Very low40.3Very low149 Ų149145.8 Ų145.880%0.79778%0.777SS**  trans-158.3144.2168.2-86.2-53.9000106.5
302D40.6Very low41.3Very low158 Ų158141.6 Ų141.685%0.84577%0.766SS**  trans-76.8152.5-171.4-50.5-103.3000114.6
303D35.6Very low41.2Very low175 Ų175142.4 Ų142.494%0.93676%0.759SS**  trans-129.586.6167.1-108.5-46.8000109.6
304D42.9Very low42.2Very low147 Ų147139.4 Ų139.479%0.78674%0.741SS**  trans-100.1160.2165.3-157-18.9000109.9
305F39.4Very low43.8Very low190 Ų190139.2 Ų139.283%0.83374%0.74SS**  trans-63.7129.7-161.5-92.9-115.1000115.7
306E36.8Very low45.7Very low166 Ų166138.7 Ų138.778%0.77674%0.737SS**  trans-129.693145.1-167.8160.6-134.100112.8H308E306-H308 PolarHBondContact O-N 2.97Å
307A45.6Very low47.1Very low83 Ų83137.7 Ų137.769%0.68673%0.726SS**  trans-76103.5173.600000110.6P309A307-P309 WeakPolarHBondContact O-CD 3.45Å
308H48.2Very low48.1Very low146 Ų146142.1 Ų142.168%0.67673%0.729SS**  trans-95.798-173.8-136.1-67.2000112.5E306 M310E306-H308 PolarHBondContact O-N 2.97Å; H308-M310 PolarHBondContact O-N 3.34Å
309P52.6Low49.2Very low119 Ų119144.6 Ų144.677%0.77373%0.733SS**  trans-7697.5-176.431.3-37000111.9A307 S311A307-P309 WeakPolarHBondContact O-CD 3.45Å; P309-S311 PolarHBondContact O-N 2.8Å
310M50.5Low50.4Low154 Ų154138.1 Ų138.176%0.75972%0.716SS**  trans-63.1133.5173.2-70.4-148.5-177.600111.7H308H308-M310 PolarHBondContact O-N 3.34Å
311S58.7Low50.9Low84 Ų84135.8 Ų135.859%0.58772%0.716SS**  trans-64.9146.4-177.577.10000112.6P309 E313 S314P309-S311 PolarHBondContact O-N 2.8Å; S311-E313 PolarHBondContact O-N 2.97Å; S311-S314 WeakPolarHBondContact O-CB 3.44Å; S311-S314 PolarHBondContact O-N 3.04Å
312F48.7Very low51.9Low155 Ų155134.7 Ų134.768%0.6872%0.715SS**Hα-helixtrans-51.6-31-176.4-179.5-103.5000114.8S314 F315 L316F312-S314 VanDerWaalsContact C-N 3.28Å; F312-S314 PolarHBondContact O-N 2.83Å; F312-F315 PolarHBondContact O-N 3.19Å; F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.5Å; F312-L316 VanDerWaalsContact CE1-CD1 3.5Å; F312-L316 HydrophobicContact CE1-CG 4.37Å; F312-L316 HydrophobicContact CZ-CD1 3.85Å; F312-L316 HydrophobicContact CZ-CG 4.45Å
313E56.5Low51.9Low135 Ų135133 Ų13363%0.63171%0.713SS**Hα-helixtrans-66.7-28.2178.7-146.278.6175.900112.6S311 L316 T317S311-E313 PolarHBondContact O-N 2.97Å; E313-L316 PolarHBondContact O-N 3.21Å; E313-T317 PolarHBondContact O-OG1 3.33Å
314S66.7Low52.1Low49 Ų49131.5 Ų131.534%0.34371%0.709SS.*Hα-helixtrans-63.9-47.8176.3-173.50000111.1S311 F312 L316 T317S311-S314 WeakPolarHBondContact O-CB 3.44Å; S311-S314 PolarHBondContact O-N 3.04Å; F312-S314 VanDerWaalsContact C-N 3.28Å; F312-S314 PolarHBondContact O-N 2.83Å; S314-L316 PolarHBondContact O-N 3.45Å; S314-T317 PolarHBondContact O-N 2.98Å; S314-T317 VanDerWaalsContact O-N 3.14Å
315F70.8Confident51.9Low175 Ų175134.4 Ų134.477%0.76872%0.715SS**Hα-helixtrans-63.7-24.2-177.8-165.1-96.3000113.3F312F312-F315 PolarHBondContact O-N 3.19Å
316L65.9Low51.9Low113 Ų113135.3 Ų135.359%0.59272%0.719SS**THydrogen-bonded Turntrans-91.5-5.9179.5-63.1-176.4000114.5F312 E313 S314F312-L316 HydrophobicContact CD1-CD1 4.09Å; F312-L316 HydrophobicContact CE1-CD1 3.5Å; F312-L316 VanDerWaalsContact CE1-CD1 3.5Å; F312-L316 HydrophobicContact CE1-CG 4.37Å; F312-L316 HydrophobicContact CZ-CD1 3.85Å; F312-L316 HydrophobicContact CZ-CG 4.45Å; E313-L316 PolarHBondContact O-N 3.21Å; S314-L316 PolarHBondContact O-N 3.45Å
317T65.3Low51.7Low86 Ų86137 Ų13753%0.52872%0.724SS.*SBendtrans-1208.8-173-37.40000113E313 S314 D319 A320E313-T317 PolarHBondContact O-OG1 3.33Å; S314-T317 PolarHBondContact O-N 2.98Å; S314-T317 VanDerWaalsContact O-N 3.14Å; T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 2.84Å; T317-A320 HydrophobicContact CG2-CB 4.18Å; T317-A320 PolarHBondContact O-N 3.09Å
318Y59.8Low50.9Low215 Ų215142.4 Ų142.484%0.84373%0.732SS**THydrogen-bonded Turntrans-66.1-21.6-170-150.9-92.9000115
319D51.3Low50.1Low165 Ų165143.8 Ų143.888%0.88274%0.736SS**THydrogen-bonded Turntrans-110.826.1-174-162.129.4000112.9T317T317-D319 VanDerWaalsContact C-N 3.27Å; T317-D319 PolarHBondContact O-N 2.84Å
320A56.6Low48.9Very low57 Ų57147.1 Ų147.147%0.47174%0.741SS.*  trans-104.1113.7-178.600000111.8T317 T322T317-A320 HydrophobicContact CG2-CB 4.18Å; T317-A320 PolarHBondContact O-N 3.09Å; A320-T322 PolarHBondContact O-N 3.01Å
321P43.8Very low47.9Very low130 Ų130146.7 Ų146.784%0.84474%0.737SS**  trans-69.8121.3-177.326.6-33.8000112
322T53Low47Very low126 Ų126148.3 Ų148.377%0.77375%0.745SS**  trans-88.3135-175.854.30000112.7A320 V324A320-T322 PolarHBondContact O-N 3.01Å; T322-V324 PolarHBondContact O-N 3.02Å
323P40.6Very low46Very low123 Ų123145.7 Ų145.780%0.79975%0.746SS**  trans-84.5112.2-178.331.3-33.6000112.7
324V39.8Very low44.6Very low143 Ų143144.3 Ų144.387%0.86775%0.752SS**  trans-66.7135.8176.7-81.30000114T322T322-V324 PolarHBondContact O-N 3.02Å
325K39.9Very low42.8Very low208 Ų208147.4 Ų147.490%0.90477%0.773SS**  trans-131.3153.9165.3-74-172.8177178.20111.1
326K38.1Very low40.7Very low209 Ų209144.9 Ų144.991%0.90978%0.777SS**  trans-99.5177.1-161.8-60.4179177.9178.80113.9
327K33.6Very low39.1Very low203 Ų203148.8 Ų148.888%0.88379%0.792SS**  trans80.3149.3173.6-94.4175177.9173.30115
328K28.8Very low37.4Very low196 Ų196150.1 Ų150.185%0.85281%0.805SS**  cis-143.4152.76.2-166.9179.7173.1-170.30111.8
329K30.5Very low35.9Very low175 Ų175149.3 Ų149.376%0.76181%0.806SS**  trans-78146.6179.8168.6-176.1177.4179.90113.9
330Q28.3Very low35.8Very low189 Ų189146.5 Ų146.588%0.88380%0.797SS**  trans-147.8152.1145-113.9168.41.900111.9
331Q30Very low34.6Very low145 Ų145148.8 Ų148.868%0.67881%0.809SS**  trans-176.5173.6-166.5-93.4-75.9-2700104.5
332P38.8Very low34.1Very low117 Ų117151.5 Ų151.576%0.7681%0.81SS**  cis-90.7-15615.743.6-41.6000111.7
333S27.1Very low32.9Very low101 Ų101150.7 Ų150.771%0.70681%0.81SS**  cis-147.9-172.55.661.70000109.8
334S28Very low32.4Very low106 Ų106150.1 Ų150.174%0.74181%0.809SS**  cis-151.8-167.89.359.20000110.8
335S28.5Very low31.9Very low114 Ų114149.4 Ų149.480%0.79781%0.81SS**  -162.8124.4-91.751.30000112.6
336S27.7Very low31.3Very low122 Ų122142.6 Ų142.685%0.85380%0.799SS**  trans-144148.7171.253.40000112.4
337H31.9Very low30.9Very low195 Ų195138 Ų13890%0.90379%0.793SS**  trans-97.2163.1177.4-69.5-55.8000109.8
338S29.2Very low30.9Very low114 Ų114133.7 Ų133.780%0.79779%0.789SS**  -162.4-17357.358.80000115.5
339K28.3Very low31.1Very low197 Ų197129.1 Ų129.186%0.85778%0.782SS**  trans-135.5-168.6175-62.7-170.8173.7-174.70107.2
340P49.1Very low31.2Very low107 Ų107132.4 Ų132.470%0.69579%0.789SS**  cis-145.7172.80.143-23.9000119.3
341S31.5Very low31.4Very low104 Ų104132.5 Ų132.573%0.72779%0.79SS**  trans71.2156.8145.274.40000119.1
342Q34.4Very low31.3Very low187 Ų187132.9 Ų132.987%0.87480%0.797SS**  cis-109.3-137.26.2-51.4-177.26.300111
343S26.3Very low30.8Very low110 Ų110137 Ų13777%0.76980%0.797SS**  cis-143.6-113.4-1.257.80000112.7
344S31Very low31.4Very low111 Ų111138.3 Ų138.378%0.77680%0.801SS**  trans-155.3156.2-168.857.30000111.6
345S29.3Very low31.4Very low127 Ų127140 Ų14089%0.88881%0.806SS**  cis-131.5-151.912.967.10000111.3
346G27.2Very low31.4Very low66 Ų66138.3 Ų138.368%0.6880%0.8SS**  cis-177.9-137.212.800000114.4
347S30.2Very low31.6Very low111 Ų111137.9 Ų137.978%0.77680%0.797SS**  trans-75.8124.3-17151.20000114.3
348S32Very low31.5Very low113 Ų113134.3 Ų134.379%0.7979%0.794SS**  81.7143.781.6103.90000113.6
349S33.4Very low31.4Very low101 Ų101133.7 Ų133.771%0.70679%0.789SS**  cis-161.8159.7-5.5-1670000112.1
350R32.2Very low31.6Very low244 Ų244128.6 Ų128.692%0.92178%0.778SS**  trans68.3160.6163.6-79.5176.7170.9175.5-3119.7
351Q33.8Very low30.8Very low190 Ų190129 Ų12989%0.88878%0.784SS**  trans-112168.1-172.5-59.9169.9-61.500112.1
352N28.3Very low30.9Very low154 Ų154129.9 Ų129.982%0.82479%0.79SS**  trans101.5148.9140.4-149.29000118.5
353R27.4Very low30.9Very low204 Ų204125.6 Ų125.677%0.7778%0.781SS**  trans73.593.9174.7-52.3-16977.9-152.25.8119.6
354T38.8Very low31.2Very low127 Ų127129.7 Ų129.778%0.77979%0.785SS**  2498120.758.20000120.1
355T29.2Very low31.3Very low141 Ų141128.8 Ų128.887%0.86578%0.784SS**  trans-173.8167.2150.531.40000108.3
356A29.1Very low31.5Very low79 Ų79130.8 Ų130.865%0.65379%0.785SS**  cis176.4151.1-39.400000109
357S31.5Very low31.6Very low113 Ų113137.5 Ų137.579%0.7980%0.795SS**  trans74165.115481.60000121.8
358S28.5Very low31.6Very low121 Ų121136.3 Ų136.385%0.84679%0.792SS**  trans71.7145-177.675.90000116.1
359S28.3Very low31.4Very low100 Ų100138.9 Ų138.970%0.69980%0.797SS**  cis-134.416116.265.80000116.3
360S31.9Very low31.1Very low90 Ų90137.3 Ų137.363%0.62980%0.797SS**  trans49105.4140.4610000119.6
361S33.1Very low30.9Very low117 Ų117130.8 Ų130.882%0.81879%0.789SS**  73.9142.783.275.90000115.2
362S32.2Very low30.9Very low122 Ų122130.4 Ų130.485%0.85379%0.787SS**  cis-139.5-171.811.965.50000112
363S34.8Very low30.9Very low97 Ų97127.9 Ų127.968%0.67878%0.781SS**  trans-156.6172-162.359.70000115.1
364K33.7Very low31Very low196 Ų196123.5 Ų123.585%0.85278%0.782SS**  trans99.3154163.3-61.5165.3-175.3177.20116.8
365A33Very low30.7Very low91 Ų91126.3 Ų126.375%0.75278%0.783SS**  cis-171.2170.7-2500000110.2
366N33.8Very low30.9Very low170 Ų170130 Ų13091%0.90978%0.782SS**  trans-57.6156.5171.2-68.5-12000113.5
367K28.3Very low31Very low206 Ų206131.2 Ų131.290%0.89679%0.785SS**  trans-141.6144.2165-169.3171-176.9177.80111.2
368A30.6Very low31.2Very low86 Ų86133.2 Ų133.271%0.71178%0.782SS**  trans-138.7147171.900000110
369N27.8Very low31.3Very low168 Ų168133 Ų13390%0.89878%0.78SS**  trans46.4147.9167.5-68.6-2000120.8
370G25.7Very low31.5Very low68 Ų68133.8 Ų133.870%0.70178%0.776SS**  trans141.880.6160.100000117.9
371S29.3Very low31.4Very low107 Ų107134.5 Ų134.575%0.74878%0.781SS**  trans35.2126137.956.40000123.6
372Q32.9Very low31.4Very low181 Ų181139.7 Ų139.785%0.84678%0.783SS**  81.9115.3128.7-73.4-177.4-20.900124.1
373S29.3Very low31.4Very low102 Ų102138.2 Ų138.271%0.71377%0.772SS**  103.9119.9118.275.80000123
374S30.1Very low31.2Very low112 Ų112138.6 Ų138.678%0.78378%0.775SS**  trans66.4158.1152.586.60000118.2
375K31.7Very low31.2Very low186 Ų186137.7 Ų137.781%0.80977%0.774SS**  cis-155.2141.16.7-147.7168.3-175.2177.30110.5
376R34Very low31.6Very low219 Ų219138.6 Ų138.683%0.82677%0.772SS**  trans12.2151154.7-58.3-175.9174.8176.3-3.6120.4
377S31.2Very low31.8Very low103 Ų103138.3 Ų138.372%0.7276%0.763SS**  cis-166149.248.7-50.70000115.1
378H34.4Very low32.4Very low156 Ų156134.6 Ų134.672%0.72276%0.76SS**  trans34.3139.4146.6-69.3-88.3000121.2D380H378-D380 IonicContact CE1-OD2 3.85Å; H378-D380 IonicContact ND1-OD2 3.43Å; H378-D380 PolarHBondContact ND1-OD2 3.32Å; H378-D380 VanDerWaalsContact ND1-OD2 3.16Å
379S32.1Very low32.6Very low117 Ų117137.5 Ų137.582%0.81876%0.759SS**  -139161.556.156.40000117.9
380D31.3Very low32.9Very low115 Ų115139.2 Ų139.262%0.61576%0.758SS**  trans-62.2161.8178.1-64.4-104.3000114.3H378H378-D380 IonicContact CE1-OD2 3.85Å; H378-D380 IonicContact ND1-OD2 3.43Å; H378-D380 PolarHBondContact ND1-OD2 3.32Å; H378-D380 VanDerWaalsContact ND1-OD2 3.16Å
381S30.2Very low33.4Very low105 Ų105146.7 Ų146.773%0.73477%0.765SS**  cis-159141.746.9-57.30000116.9
382R33.3Very low33.6Very low226 Ų226150.1 Ų150.185%0.85377%0.767SS**  trans31.9139.8134-56.8176.275.8171.74.1120.5
383S31.3Very low33.6Very low91 Ų91153 Ų15364%0.63677%0.77SS**  cis-174156.8-245.30000113
384S31.1Very low33.6Very low105 Ų105154 Ų15473%0.73477%0.771SS**  trans56137.4147.855.80000120.4
385E33.4Very low33.7Very low178 Ų178155.1 Ų155.183%0.83277%0.773SS**  cis-159.9-154.2-1.7-138.9-177.7168.300110.8
386P41Very low33.7Very low109 Ų109155.1 Ų155.171%0.70878%0.776SS**  -104170.8-101.425.4-3.4000116.9
387K38.5Very low33.8Very low165 Ų165149.3 Ų149.372%0.71777%0.774SS**  trans-75.9151.9169.1-117.6-175.2-174.2-175.30111.8E389K387-E389 HydrophobicContact CD-CG 4.21Å; K387-E389 WeakPolarHBondContact CE-OE1 3.5Å; K387-E389 IonicContact NZ-OE1 3.67Å; K387-E389 PolarHBondContact NZ-OE1 3.43Å
388P41.4Very low33.8Very low128 Ų128152.2 Ų152.283%0.83178%0.781SS**  -143.3163.2104.838.1-25.2000115
389E34.1Very low34.2Very low147 Ų147150.7 Ų150.769%0.68779%0.785SS**  trans-100.3137.2-172.5-66178.1177.100114.7K387K387-E389 HydrophobicContact CD-CG 4.21Å; K387-E389 WeakPolarHBondContact CE-OE1 3.5Å; K387-E389 IonicContact NZ-OE1 3.67Å; K387-E389 PolarHBondContact NZ-OE1 3.43Å
390K33.8Very low34.5Very low203 Ų203151.8 Ų151.888%0.88379%0.787SS**  trans-147.1111.8163.1-73.6-174.7-178.7169.10113.5
391R36.8Very low35Very low225 Ų225154.2 Ų154.285%0.84980%0.799SS**  trans60.9133.7134.6-75-178.8165.2-171-5.8122.9
392K34.3Very low35.6Very low180 Ų180157.3 Ų157.378%0.78381%0.806SS**  trans83126142-71.5173.8174.2-168.40122.4
393R32.7Very low36.4Very low242 Ų242153.8 Ų153.891%0.91380%0.804SS**  -142.7140.8128.3-94.6-174.2168.8-173.7-4.8106.7
394V28.9Very low37.5Very low121 Ų121156.1 Ų156.173%0.73381%0.808SS**  cis92.396.218.3-1740000114.9
395V31.7Very low38.4Very low137 Ų137156.8 Ų156.883%0.8381%0.81SS**  trans-159.5143.3158.6178.80000104.4
396E31.8Very low39.1Very low186 Ų186156 Ų15687%0.86981%0.811SS**  cis-156.7150-33.7-175.9165147.300105.9
397A35.9Very low39.8Very low96 Ų96156.4 Ų156.479%0.79381%0.814SS**  trans-145134.8-168.600000114.2
398L31.1Very low40.8Very low165 Ų165153.3 Ų153.386%0.86482%0.819SS**PPolyproline II helixtrans-91.5156165-78.7172.8000110.8
399P44.7Very low41.8Very low124 Ų124154.9 Ų154.981%0.80582%0.818SS**PPolyproline II helixtrans-81.5138.7-149.129.5-36000114.9
400T36.5Very low43.1Very low139 Ų139155.5 Ų155.585%0.85382%0.821SS**PPolyproline II helixtrans-89.7159163.6-58.30000110
401L43.2Very low44.4Very low166 Ų166151.8 Ų151.887%0.86982%0.818SS**PPolyproline II helixtrans-61.6158.5-171.4-69.1169.3000114.7D403L401-D403 PolarHBondContact O-N 2.93Å
402L42.6Very low45.4Very low170 Ų170148 Ų14889%0.8982%0.815SS**PPolyproline II helixtrans-60.9126.2176.5-65.4164.6000111.3
403D48.8Very low46.3Very low152 Ų152148.8 Ų148.881%0.81381%0.814SS**PPolyproline II helixtrans-89.1136.1175.1-169.415.5000110.7L401L401-D403 PolarHBondContact O-N 2.93Å
404I54.6Low47.7Very low140 Ų140148 Ų14872%0.71881%0.811SS**  trans-118.5110.1179.4-59.5178000107.3L406I404-L406 PolarHBondContact O-N 2.84Å; I404-L406 VanDerWaalsContact O-N 3.13Å
405P50.8Low48.7Very low120 Ų120146.8 Ų146.878%0.77981%0.806SS**  trans-68.8114.4-172.526.5-34000111.5
406L48.3Very low49.3Very low162 Ų162148.2 Ų148.285%0.84881%0.808SS**PPolyproline II helixtrans-66.9145.6169.4-72.9168000110.6I404I404-L406 PolarHBondContact O-N 2.84Å; I404-L406 VanDerWaalsContact O-N 3.13Å
407P54.7Low50.2Low117 Ų117145 Ų14576%0.7680%0.803SS**PPolyproline II helixtrans-66.6148.2-175.527.2-35.1000112.6I409P407-I409 PolarHBondContact O-N 3.27Å
408A61Low50.3Low100 Ų100145.8 Ų145.883%0.82680%0.803SS**PPolyproline II helixtrans-63.8129.7-175.300000112.9Q410A408-Q410 PolarHBondContact O-N 3.1Å
409I60.9Low51Low160 Ų160145.4 Ų145.482%0.82180%0.8SS**PPolyproline II helixtrans-69.1128.3175.6-58.6172.1000109P407P407-I409 PolarHBondContact O-N 3.27Å
410Q62.1Low50.9Low160 Ų160146.6 Ų146.675%0.74880%0.8SS**PPolyproline II helixtrans-70.8147.5-178.8-70.8-1671.300112.6A408 N412A408-Q410 PolarHBondContact O-N 3.1Å; Q410-N412 PolarHBondContact O-N 3.34Å
411P61.4Low50.9Low125 Ų125146.2 Ų146.281%0.81280%0.797SS**THydrogen-bonded Turntrans-71.5-2.8-168.728.2-36.7000116
412N57.2Low51.1Low147 Ų147143.4 Ų143.479%0.78679%0.789SS**THydrogen-bonded Turntrans-99.825.1-172.9-75.933.4000114.3Q410 R414Q410-N412 PolarHBondContact O-N 3.34Å; N412-R414 PolarHBondContact O-N 3.47Å; N412-R414 VanDerWaalsContact O-N 3.15Å
413Y52.6Low51.1Low195 Ų195144.2 Ų144.277%0.76579%0.793SS**  trans-75.7100.8173.1-167.7-94.1000111.4P415Y413-P415 HydrophobicContact CE1-CB 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.46Å
414R63.3Low50.3Low226 Ų226142.1 Ų142.185%0.85379%0.791SS**  trans-101104.5177.5-168-180-167.9-179.34.8109.8N412N412-R414 PolarHBondContact O-N 3.47Å; N412-R414 VanDerWaalsContact O-N 3.15Å
415P50.4Low49.8Very low96 Ų96140.5 Ų140.562%0.62379%0.789SS**PPolyproline II helixtrans-63.7140.1178.426.1-33.6000111Y413Y413-P415 HydrophobicContact CE1-CB 4.42Å; Y413-P415 WeakPolarHBondContact O-CD 3.46Å
416L43.7Very low48.9Very low167 Ų167143 Ų14387%0.87479%0.79SS**PPolyproline II helixtrans-71.9144.7179-73.7166.9000111.1
417P49.5Very low48.1Very low119 Ų119144.5 Ų144.577%0.77379%0.785SS**PPolyproline II helixtrans-63.9138.4172.9-18.931.9000111.7
418S38.9Very low47.3Very low112 Ų112149.1 Ų149.178%0.78379%0.787SS**PPolyproline II helixtrans-65.9134.4170-170.30000110.3
419I46.3Very low46.1Very low156 Ų156153.3 Ų153.380%0.879%0.786SS**  trans-103.998.9-177.8-166.1168.2000110.9
420D42.8Very low44.9Very low150 Ų150151.9 Ų151.980%0.80279%0.785SS**  trans-82.5114.9176-73.4-32.2000110.9
421T35.7Very low44Very low131 Ų131149.9 Ų149.980%0.80479%0.786SS**  trans-150.8138164.3-750000110
422P48.6Very low43Very low106 Ų106150.1 Ų150.169%0.68879%0.785SS**  trans-125.3146.3-145.237.5-21.8000116.4
423L41.3Very low41.6Very low188 Ų188149.3 Ų149.398%0.98479%0.789SS**SBendtrans-132.651.2165-78.3179.7000113.6
424S32.6Very low40.7Very low108 Ų108146.6 Ų146.676%0.75579%0.788SS**SBendtrans-155.3140.9144.1-160.40000108.7
425P43.2Very low39.6Very low106 Ų106142.3 Ų142.369%0.68878%0.782SS**  trans-99.1133-144.334.5-34.9000116.8
426Q32Very low39.2Very low171 Ų171145.1 Ų145.180%0.79979%0.787SS**  trans68.7141148-62.1-171.316.700118
427R32.3Very low39Very low195 Ų195146 Ų14674%0.73679%0.786SS**  cis-153.3143.310.2-126.6160.174.71655.1111.8
428R37.5Very low39.3Very low213 Ų213148 Ų14880%0.80479%0.791SS**  trans13.9144.9141.9-51.6172-175.6176.4-0.5118.8
429K36.6Very low39.5Very low188 Ų188147.4 Ų147.482%0.81779%0.792SS**  cis-172150.3-7.5-106.1-174.7179.1-169.80107.6
430V34.9Very low39.5Very low131 Ų131142.5 Ų142.579%0.79478%0.78SS**  trans11.6141.8134.5-179.20000118.4
431P42.8Very low39.3Very low118 Ų118144.9 Ų144.977%0.76678%0.784SS**  cis-133.5-177.916.229.8-6.3000117.9
432V41.6Very low40.2Very low130 Ų130145.3 Ų145.379%0.78879%0.786SS**  trans-47.9146.8160.3177.60000114.5
433C27.5Very low40.1Very low130 Ų130142.2 Ų142.288%0.87877%0.774SS**  trans-131.8159.4141-162.90000108.7
434N32.8Very low40.6Very low137 Ų137141.8 Ų141.873%0.73376%0.764SS**  trans-105.8148.6-172-161.545.8000111.9
435D41.2Very low41.8Very low137 Ų137147.8 Ų147.873%0.73377%0.77SS**  trans57.7175.9151.8-133.9166.6000121.7
436E41.7Very low42.4Very low154 Ų154150.2 Ų150.272%0.7277%0.77SS**  trans70.4104.1161.6-68.4-172.3118.700120.6
437E40Very low43.6Very low185 Ų185149.6 Ų149.686%0.86477%0.772SS**  trans80.1151.8131.5-57.3-154133.800122.9
438D55.7Low44.7Very low163 Ų163145.5 Ų145.587%0.87277%0.774SS**  trans-86.2105-174.4175.330.4000111.8
439A43.3Very low45.8Very low98 Ų98144.4 Ų144.481%0.8178%0.775SS**  trans-142.470.5176.800000113.8
440G44.5Very low46.7Very low53 Ų53142.5 Ų142.555%0.54677%0.77SS.*  trans5785.3144.200000119T442G440-T442 PolarHBondContact O-N 3.22Å
441F40.3Very low47.9Very low200 Ų200143.2 Ų143.288%0.87778%0.775SS**  trans-65.5100.2161.6-178.571.6000111.1G443F441-G443 PolarHBondContact O-N 3.35Å
442T53.5Low48.7Very low140 Ų140142.4 Ų142.486%0.85977%0.767SS**  trans-74.528.3-176.348.60000114.7G440 K444G440-T442 PolarHBondContact O-N 3.22Å; T442-K444 VanDerWaalsContact C-N 3.27Å; T442-K444 PolarHBondContact O-N 2.73Å
443G46.9Very low49.8Very low42 Ų42144.5 Ų144.543%0.43376%0.762SS.*  trans-80.748.7-178.900000115.2F441 R445F441-G443 PolarHBondContact O-N 3.35Å; G443-R445 VanDerWaalsContact C-N 3.28Å; G443-R445 PolarHBondContact O-N 3.06Å
444K52.3Low51.5Low178 Ų178144.1 Ų144.177%0.77476%0.761SS**  trans-75.863.2-168.2-150.3170.2-165.1170.60114.6T442 F446T442-K444 VanDerWaalsContact C-N 3.27Å; T442-K444 PolarHBondContact O-N 2.73Å; K444-F446 HydrophobicContact CD-CE2 4.17Å; K444-F446 HydrophobicContact CG-CD2 4.2Å; K444-F446 HydrophobicContact CG-CE2 4.08Å; K444-F446 PolarHBondContact O-N 3.25Å
445R57.1Low52.3Low235 Ų235139.2 Ų139.289%0.88774%0.744SS**  trans-80.690.8166.2-70.1-171.8-175-94.5-0.3110.4G443G443-R445 VanDerWaalsContact C-N 3.28Å; G443-R445 PolarHBondContact O-N 3.06Å
446F55.4Low52.8Low156 Ų156138.2 Ų138.268%0.68475%0.747SS**THydrogen-bonded Turntrans-52.8152.9165.5-89.8-90.7000111.3K444K444-F446 HydrophobicContact CD-CE2 4.17Å; K444-F446 HydrophobicContact CG-CD2 4.2Å; K444-F446 HydrophobicContact CG-CE2 4.08Å; K444-F446 PolarHBondContact O-N 3.25Å
447N57.9Low53.4Low158 Ų158138.7 Ų138.785%0.84575%0.747SS**THydrogen-bonded Turntrans84.4-0166.3-48.4-23.6000119.4K449N447-K449 PolarHBondContact O-N 3.49Å
448S54.6Low54.1Low109 Ų109134.7 Ų134.776%0.76274%0.735SS**  trans-8797.8166.4-163.50000111.2
449K62Low53.9Low191 Ų191131.6 Ų131.683%0.8373%0.726SS**  trans-82.1135.3-177.8-173.2173.5-179.7176.40110.6N447N447-K449 PolarHBondContact O-N 3.49Å
450M54.4Low54.3Low147 Ų147135.5 Ų135.572%0.72472%0.721SS**  trans68.289.4-177.7-65.5166.854.400115.6V452M450-V452 VanDerWaalsContact C-N 3.3Å; M450-V452 HydrophobicContact CB-CG2 4.04Å; M450-V452 HydrophobicContact CE-CG2 3.69Å; M450-V452 PolarHBondContact O-N 3.08Å
451V60.3Low55.1Low147 Ų147137.6 Ų137.689%0.89172%0.719SS**  trans-68.593.6148.4178.70000107.3Y453V451-Y453 PolarHBondContact O-N 2.94Å
452V60.7Low56.4Low100 Ų100134.9 Ų134.961%0.60672%0.722SS**  trans-78.3113.7170.6-176.70000107.7M450 S454M450-V452 VanDerWaalsContact C-N 3.3Å; M450-V452 HydrophobicContact CB-CG2 4.04Å; M450-V452 HydrophobicContact CE-CG2 3.69Å; M450-V452 PolarHBondContact O-N 3.08Å; V452-S454 PolarHBondContact O-N 3.08Å
453Y64.3Low57.7Low174 Ų174137.4 Ų137.468%0.68272%0.716SS**  trans-65.496.9174.7-176.2-93.4000109.5V451 G455 K457V451-Y453 PolarHBondContact O-N 2.94Å; Y453-G455 VanDerWaalsContact CD1-O 3.23Å; Y453-G455 WeakPolarHBondContact CD1-O 3.19Å; Y453-G455 WeakPolarHBondContact CE1-O 3.45Å; Y453-G455 PolarHBondContact O-N 3.45Å; Y453-K457 HydrophobicContact CE1-CG 4.11Å
454S63Low59.4Low122 Ų122141.9 Ų141.985%0.85373%0.727SS**  trans-82.210-179.766.50000113.6V452V452-S454 PolarHBondContact O-N 3.08Å
455G48.6Very low60.9Low35 Ų35135.4 Ų135.436%0.36170%0.7SS.*SBendtrans-75.2123.8165.900000109.5Y453 K457Y453-G455 VanDerWaalsContact CD1-O 3.23Å; Y453-G455 WeakPolarHBondContact CD1-O 3.19Å; Y453-G455 WeakPolarHBondContact CE1-O 3.45Å; Y453-G455 PolarHBondContact O-N 3.45Å; G455-K457 PolarHBondContact O-N 2.81Å
456S52.3Low62.6Low116 Ų116126.7 Ų126.781%0.81167%0.673SS**  trans-54.6111.7152.8-67.30000106.8T458S456-T458 PolarHBondContact O-N 3.11Å
457K55.5Low64.4Low164 Ų164125.9 Ų125.971%0.71368%0.675SS**  trans-55.7110.7162.7-67.9-176.6179.7-176.80105.1Y453 G455 S459Y453-K457 HydrophobicContact CE1-CG 4.11Å; G455-K457 PolarHBondContact O-N 2.81Å; K457-S459 PolarHBondContact O-N 2.79Å
458T52.7Low66Low100 Ų100124 Ų12461%0.61366%0.657SS**  trans-56.5117.1170.4360000105.5S456 Y460S456-T458 PolarHBondContact O-N 3.11Å; T458-Y460 WeakPolarHBondContact O-CD1 3.49Å; T458-Y460 VanDerWaalsContact O-CE1 3.26Å; T458-Y460 WeakPolarHBondContact O-CE1 3.28Å; T458-Y460 PolarHBondContact O-N 2.86Å; T458-Y460 VanDerWaalsContact OG1-CE1 3.28Å; T458-Y460 WeakPolarHBondContact OG1-CE1 3.35Å
459S51.9Low67.8Low99 Ų99122.3 Ų122.369%0.69264%0.637SS**  trans-77.573.3-176.3570000108.3K457 L461K457-S459 PolarHBondContact O-N 2.79Å; S459-L461 PolarHBondContact O-N 2.77Å
460Y52.3Low69.2Low180 Ų180117.8 Ų117.871%0.70662%0.619SS**  trans-60.883.8158.427.4-102.3000107.2T458 P462T458-Y460 WeakPolarHBondContact O-CD1 3.49Å; T458-Y460 VanDerWaalsContact O-CE1 3.26Å; T458-Y460 WeakPolarHBondContact O-CE1 3.28Å; T458-Y460 PolarHBondContact O-N 2.86Å; T458-Y460 VanDerWaalsContact OG1-CE1 3.28Å; T458-Y460 WeakPolarHBondContact OG1-CE1 3.35Å; Y460-P462 WeakPolarHBondContact O-CD 3.39Å; Y460-P462 VanDerWaalsContact O-N 3.17Å
461L60.2Low71Confident96 Ų96113.8 Ų113.850%0.50361%0.605SS.*  trans-51.9119.9165.4-68.5170.5000105.8S459 R463 M464S459-L461 PolarHBondContact O-N 2.77Å; L461-R463 WeakPolarHBondContact CB-O 3.39Å; L461-R463 CarbonylContact O-C 3.52Å; L461-R463 PolarHBondContact O-N 3.26Å; L461-M464 HydrophobicContact CB-CE 4.05Å
462P69.5Low72.5Confident144 Ų144107.4 Ų107.494%0.93557%0.565SS**SBendtrans-57.8-15.4-172.8-28.736.5000114.3Y460Y460-P462 WeakPolarHBondContact O-CD 3.39Å; Y460-P462 VanDerWaalsContact O-N 3.17Å
463R80.6Confident74Confident192 Ų192108.8 Ų108.873%0.72556%0.56SS**SBendtrans-138.2131.8166.7176.3169.6173.9157.4-4107.1L461 M465L461-R463 WeakPolarHBondContact CB-O 3.39Å; L461-R463 CarbonylContact O-C 3.52Å; L461-R463 PolarHBondContact O-N 3.26Å; R463-M465 PolarHBondContact O-N 2.99Å
464M81.1Confident75.3Confident137 Ų137104.2 Ų104.268%0.67555%0.55SS*.PPolyproline II helixtrans-61.6132.9166.7-74.2-63.2112.500108.7L461L461-M464 HydrophobicContact CB-CE 4.05Å
465M84.4Confident76.6Confident41 Ų41101.4 Ų101.420%0.20253%0.525CS..PPolyproline II helixtrans-65.3141-178.5-170.1153.464.300110.3R463 E469 Q470 R473R463-M465 PolarHBondContact O-N 2.99Å; M465-E469 HydrophobicContact CG-CB 3.37Å; M465-E469 HydrophobicContact CG-CG 4.24Å; M465-E469 HydrophobicContact SD-CB 3.94Å; M465-Q470 HydrophobicContact CE-CB 4.38Å; M465-R473 PolarHBondContact SD-NE 3.46Å; M465-R473 VanDerWaalsContact SD-NE 3.41Å; M465-R473 PolarHBondContact SD-NH2 2.99Å; M465-R473 VanDerWaalsContact SD-NH2 3.41Å
466T93.6Very high78.6Confident52 Ų52101.4 Ų101.432%0.31952%0.515SS..PPolyproline II helixtrans-66.9155.2179.763.10000111.2Y468 E469 Q470T466-Y468 PolarHBondContact O-N 2.87Å; T466-E469 VanDerWaalsContact CB-OE1 3.27Å; T466-E469 WeakPolarHBondContact CB-OE1 3.37Å; T466-E469 VanDerWaalsContact CG2-OE1 3.24Å; T466-E469 WeakPolarHBondContact CG2-OE1 3.13Å; T466-E469 PolarHBondContact N-OE1 2.93Å; T466-E469 PolarHBondContact O-N 3.46Å; T466-E469 VanDerWaalsContact OG1-CG 3.31Å; T466-E469 WeakPolarHBondContact OG1-CG 3.34Å; T466-E469 PolarHBondContact OG1-N 2.94Å; T466-E469 PolarHBondContact OG1-OE1 3.39Å; T466-Q470 WeakPolarHBondContact O-CB 3.3Å; T466-Q470 PolarHBondContact O-N 3.09Å
467L93.2Very high80.4Confident139 Ų139102.1 Ų102.173%0.72851%0.51SS*.Hα-helixtrans-56.2-37174.6-179.561.3000111.5Q470 C471L467-Q470 PolarHBondContact O-N 3.32Å; L467-C471 WeakPolarHBondContact O-CB 3.19Å; L467-C471 PolarHBondContact O-N 2.85Å; L467-C471 PolarHBondContact O-SG 3.27Å
468Y91.4Very high82Confident119 Ų11998.4 Ų98.447%0.46750%0.498SS..Hα-helixtrans-58.9-57.8173.5173.5-105.6000111.9T466 Q470 C471 I472 I492T466-Y468 PolarHBondContact O-N 2.87Å; Y468-Q470 PolarHBondContact O-N 3.19Å; Y468-C471 PolarHBondContact O-N 3.31Å; Y468-C471 VanDerWaalsContact O-N 3.16Å; Y468-I472 HydrophobicContact CD1-CG1 4.44Å; Y468-I472 HydrophobicContact CD2-CG1 4.03Å; Y468-I472 HydrophobicContact CE1-CG1 4.11Å; Y468-I472 HydrophobicContact CE2-CD1 3.82Å; Y468-I472 HydrophobicContact CE2-CG1 3.66Å; Y468-I472 HydrophobicContact CG-CG1 4.4Å; Y468-I472 WeakPolarHBondContact O-CB 3.18Å; Y468-I472 VanDerWaalsContact O-CG1 3.3Å; Y468-I472 WeakPolarHBondContact O-CG1 3.46Å; Y468-I472 PolarHBondContact O-N 3.34Å; Y468-I492 HydrophobicContact CE2-CG2 4.33Å
469E92.1Very high83.7Confident74 Ų7494.3 Ų94.335%0.34647%0.472SS..Hα-helixtrans-57.6-36.9177.6-71.2162.6-92.300112.6M465 T466 R473M465-E469 HydrophobicContact CG-CB 3.37Å; M465-E469 HydrophobicContact CG-CG 4.24Å; M465-E469 HydrophobicContact SD-CB 3.94Å; T466-E469 VanDerWaalsContact CB-OE1 3.27Å; T466-E469 WeakPolarHBondContact CB-OE1 3.37Å; T466-E469 VanDerWaalsContact CG2-OE1 3.24Å; T466-E469 WeakPolarHBondContact CG2-OE1 3.13Å; T466-E469 PolarHBondContact N-OE1 2.93Å; T466-E469 PolarHBondContact O-N 3.46Å; T466-E469 VanDerWaalsContact OG1-CG 3.31Å; T466-E469 WeakPolarHBondContact OG1-CG 3.34Å; T466-E469 PolarHBondContact OG1-N 2.94Å; T466-E469 PolarHBondContact OG1-OE1 3.39Å; E469-R473 WeakPolarHBondContact O-CG 3.4Å; E469-R473 PolarHBondContact O-N 3.09Å
470Q91.8Very high85.4Confident96 Ų9694.4 Ų94.445%0.44947%0.465SS..Hα-helixtrans-66.8-45.3177.5-170.267.860.300111.5M465 T466 L467 Y468 R473 V474M465-Q470 HydrophobicContact CE-CB 4.38Å; T466-Q470 WeakPolarHBondContact O-CB 3.3Å; T466-Q470 PolarHBondContact O-N 3.09Å; L467-Q470 PolarHBondContact O-N 3.32Å; Y468-Q470 PolarHBondContact O-N 3.19Å; Q470-R473 PolarHBondContact O-N 3.03Å; Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.43Å; Q470-V474 VanDerWaalsContact O-N 3.11Å
471C90.9Very high87Confident62 Ų6290.7 Ų90.742%0.41947%0.466SS..Hα-helixtrans-65.7-45.7175.5-71.90000111.9L467 Y468 R473 V474 L475L467-C471 WeakPolarHBondContact O-CB 3.19Å; L467-C471 PolarHBondContact O-N 2.85Å; L467-C471 PolarHBondContact O-SG 3.27Å; Y468-C471 PolarHBondContact O-N 3.31Å; Y468-C471 VanDerWaalsContact O-N 3.16Å; C471-R473 VanDerWaalsContact C-N 3.29Å; C471-R473 PolarHBondContact O-N 3.28Å; C471-V474 PolarHBondContact O-N 3.27Å; C471-L475 WeakPolarHBondContact O-CG 3.35Å; C471-L475 PolarHBondContact O-N 3.37Å
472I92.8Very high88.1Confident13 Ų1387.4 Ų87.47%0.06745%0.448CS..Hα-helixtrans-57.1-42.3176.5-68.4-68.7000110.9Y468 L475 Q476 I492 P495 V496Y468-I472 HydrophobicContact CD1-CG1 4.44Å; Y468-I472 HydrophobicContact CD2-CG1 4.03Å; Y468-I472 HydrophobicContact CE1-CG1 4.11Å; Y468-I472 HydrophobicContact CE2-CD1 3.82Å; Y468-I472 HydrophobicContact CE2-CG1 3.66Å; Y468-I472 HydrophobicContact CG-CG1 4.4Å; Y468-I472 WeakPolarHBondContact O-CB 3.18Å; Y468-I472 VanDerWaalsContact O-CG1 3.3Å; Y468-I472 WeakPolarHBondContact O-CG1 3.46Å; Y468-I472 PolarHBondContact O-N 3.34Å; I472-L475 PolarHBondContact O-N 3.31Å; I472-Q476 HydrophobicContact CG2-CG 4.31Å; I472-Q476 WeakPolarHBondContact O-CB 3.45Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.27Å; I472-I492 VanDerWaalsContact CD1-O 3.32Å; I472-I492 WeakPolarHBondContact CD1-O 3.38Å; I472-P495 HydrophobicContact CG2-CB 4.21Å; I472-V496 HydrophobicContact CD1-CG2 3.82Å; I472-V496 HydrophobicContact CG2-CG2 4.28Å
473R91.6Very high88.6Confident130 Ų13083.3 Ų83.349%0.49143%0.427SS..Hα-helixtrans-66.5-34.9174.3-74-178.5-170.3-166.58.7113.6M465 E469 Q470 C471 N477M465-R473 PolarHBondContact SD-NE 3.46Å; M465-R473 VanDerWaalsContact SD-NE 3.41Å; M465-R473 PolarHBondContact SD-NH2 2.99Å; M465-R473 VanDerWaalsContact SD-NH2 3.41Å; E469-R473 WeakPolarHBondContact O-CG 3.4Å; E469-R473 PolarHBondContact O-N 3.09Å; Q470-R473 PolarHBondContact O-N 3.03Å; C471-R473 VanDerWaalsContact C-N 3.29Å; C471-R473 PolarHBondContact O-N 3.28Å; R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.24Å; R473-N477 VanDerWaalsContact O-N 3.13Å; R473-N477 PolarHBondContact O-ND2 2.84Å
474V92.2Very high88.7Confident77 Ų7781.7 Ų81.747%0.46743%0.427SS..Hα-helixtrans-66.6-42174.6170.60000110.5Q470 C471 N477 N478Q470-V474 WeakPolarHBondContact O-CG2 3.47Å; Q470-V474 PolarHBondContact O-N 3.43Å; Q470-V474 VanDerWaalsContact O-N 3.11Å; C471-V474 PolarHBondContact O-N 3.27Å; V474-N477 PolarHBondContact O-N 2.75Å; V474-N478 PolarHBondContact O-N 2.89Å; V474-N478 PolarHBondContact O-ND2 3.08Å
475L90.3Very high88.6Confident64 Ų6476.2 Ų76.234%0.33540%0.401SS..Hα-helixtrans-64.2-48.3175.1-66.6170.2000111.7C471 I472 N477 N478 I479 I482 V496C471-L475 WeakPolarHBondContact O-CG 3.35Å; C471-L475 PolarHBondContact O-N 3.37Å; I472-L475 PolarHBondContact O-N 3.31Å; L475-N477 PolarHBondContact O-N 3.09Å; L475-N477 VanDerWaalsContact O-N 3.15Å; L475-N478 CarbonylContact O-C 3.57Å; L475-N478 PolarHBondContact O-N 3.32Å; L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 3.14Å; L475-I482 HydrophobicContact CB-CD1 4.11Å; L475-I482 HydrophobicContact CD2-CD1 3.93Å; L475-I482 HydrophobicContact CD2-CG1 4.37Å; L475-V496 HydrophobicContact CB-CG1 3.96Å; L475-V496 HydrophobicContact CB-CG2 3.77Å; L475-V496 HydrophobicContact CD1-CG2 4.14Å
476Q90.4Very high88Confident35 Ų3577.3 Ų77.316%0.16442%0.423CS..Hα-helixtrans-57.9-26.7175.4-73.6171.61.200113.8I472 I479 P495 V496 R499I472-Q476 HydrophobicContact CG2-CG 4.31Å; I472-Q476 WeakPolarHBondContact O-CB 3.45Å; I472-Q476 WeakPolarHBondContact O-CG 3.45Å; I472-Q476 PolarHBondContact O-N 3.27Å; Q476-I479 WeakPolarHBondContact O-CD1 3.27Å; Q476-P495 PolarHBondContact NE2-O 2.99Å; Q476-V496 HydrophobicContact CG-CB 4.46Å; Q476-V496 HydrophobicContact CG-CG1 4.34Å; Q476-V496 HydrophobicContact CG-CG2 4.36Å; Q476-R499 VanDerWaalsContact NE2-CD 3.27Å
477N90.6Very high87.1Confident131 Ų13178.1 Ų78.170%0.70144%0.441SS*.Hα-helixtrans-87.2-13.3176.5-71.6-21.4000113.6R473 V474 L475R473-N477 WeakPolarHBondContact O-CB 3.4Å; R473-N477 PolarHBondContact O-N 3.24Å; R473-N477 VanDerWaalsContact O-N 3.13Å; R473-N477 PolarHBondContact O-ND2 2.84Å; V474-N477 PolarHBondContact O-N 2.75Å; L475-N477 PolarHBondContact O-N 3.09Å; L475-N477 VanDerWaalsContact O-N 3.15Å
478N88.9Confident86.7Confident85 Ų8574 Ų7446%0.45542%0.422SS..  trans-131.233.5-173.3-62.8-88000111.8V474 L475 D480 S481V474-N478 PolarHBondContact O-N 2.89Å; V474-N478 PolarHBondContact O-ND2 3.08Å; L475-N478 CarbonylContact O-C 3.57Å; L475-N478 PolarHBondContact O-N 3.32Å; N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 3.41Å; N478-S481 WeakPolarHBondContact O-CB 3.46Å; N478-S481 PolarHBondContact O-N 3.17Å
479I88.3Confident86.3Confident14 Ų1471.8 Ų71.87%0.07242%0.422CS..G310 helixtrans-53.2-42.4-174.8-64.5173.3000112L475 Q476 S481 I482 V496 C500 Q504 I508L475-I479 WeakPolarHBondContact O-CG1 3.35Å; L475-I479 PolarHBondContact O-N 3.14Å; Q476-I479 WeakPolarHBondContact O-CD1 3.27Å; I479-S481 PolarHBondContact O-N 3.03Å; I479-S481 VanDerWaalsContact O-N 3.08Å; I479-I482 WeakPolarHBondContact O-CB 3.35Å; I479-I482 PolarHBondContact O-N 2.94Å; I479-V496 HydrophobicContact CG1-CG1 4.23Å; I479-C500 HydrophobicContact CG2-CB 4.42Å; I479-C500 WeakPolarHBondContact CG2-SG 3.21Å; I479-Q504 HydrophobicContact CG2-CB 3.94Å; I479-Q504 HydrophobicContact CG2-CG 4.01Å; I479-I508 HydrophobicContact CG2-CD1 4.21Å
480D86.9Confident86Confident101 Ų10169.6 Ų69.654%0.5441%0.412SS..G310 helixtrans-66.7-7.8178.5-66.8-70.2000115.1N478 Q504 R507N478-D480 VanDerWaalsContact C-N 3.28Å; N478-D480 PolarHBondContact O-N 3.41Å; D480-Q504 VanDerWaalsContact CG-NE2 3.3Å; D480-Q504 PolarHBondContact OD1-NE2 3.16Å; D480-Q504 PolarHBondContact OD2-NE2 3.37Å; D480-R507 IonicContact OD1-CZ 2.66Å; D480-R507 IonicContact OD1-NH1 2.66Å; D480-R507 PolarHBondContact OD1-NH1 2.95Å; D480-R507 IonicContact OD1-NH2 2.69Å; D480-R507 PolarHBondContact OD1-NH2 2.75Å
481S87.1Confident85.8Confident103 Ų10372.6 Ų72.672%0.7243%0.426SS*.G310 helixtrans-94.7-5.8170.5-560000113.2N478 I479 A483N478-S481 WeakPolarHBondContact O-CB 3.46Å; N478-S481 PolarHBondContact O-N 3.17Å; I479-S481 PolarHBondContact O-N 3.03Å; I479-S481 VanDerWaalsContact O-N 3.08Å; S481-A483 PolarHBondContact O-N 3.34Å
482I83.3Confident85.7Confident26 Ų2673.5 Ų73.513%0.13343%0.426CS..  trans-87.4107.8175.3-53.5177000107.5L475 I479 V485 V496 I508L475-I482 HydrophobicContact CB-CD1 4.11Å; L475-I482 HydrophobicContact CD2-CD1 3.93Å; L475-I482 HydrophobicContact CD2-CG1 4.37Å; I479-I482 WeakPolarHBondContact O-CB 3.35Å; I479-I482 PolarHBondContact O-N 2.94Å; I482-V485 HydrophobicContact CG2-CG2 3.77Å; I482-V496 HydrophobicContact CD1-CG1 3.97Å; I482-I508 HydrophobicContact CB-CD1 4.42Å; I482-I508 HydrophobicContact CG2-CD1 4.42Å; I482-I508 WeakPolarHBondContact O-CG1 3.44Å
483A79Confident85.5Confident59 Ų5973.2 Ų73.249%0.48842%0.424SS..  trans-108.1-95.5166.300000108.1S481 S511 N512S481-A483 PolarHBondContact O-N 3.34Å; A483-S511 PolarHBondContact O-OG 3.3Å; A483-N512 PolarHBondContact O-ND2 3.27Å
484E83.1Confident85.4Confident158 Ų15870 Ų7074%0.73841%0.414SS*.  trans-73.4127.5175.3-169178.8172.200111.7
485V78.3Confident85.3Confident22 Ų2268.2 Ų68.213%0.13341%0.405CS..  trans-102.59.1179.5-152.30000112.2I482 G487 V488 L493 I508 N512 F515I482-V485 HydrophobicContact CG2-CG2 3.77Å; V485-G487 VanDerWaalsContact C-N 3.27Å; V485-G487 PolarHBondContact O-N 2.95Å; V485-V488 HydrophobicContact CG1-CB 3.96Å; V485-V488 HydrophobicContact CG1-CG2 4.21Å; V485-V488 WeakPolarHBondContact O-CG2 3.41Å; V485-V488 PolarHBondContact O-N 3.26Å; V485-V488 VanDerWaalsContact O-N 3.16Å; V485-L493 HydrophobicContact CB-CD2 4.4Å; V485-L493 HydrophobicContact CG1-CD1 4.01Å; V485-L493 HydrophobicContact CG1-CD2 3.93Å; V485-L493 HydrophobicContact CG2-CD2 3.88Å; V485-I508 HydrophobicContact CG2-CG2 4.36Å; V485-N512 PolarHBondContact N-OD1 3.4Å; V485-F515 HydrophobicContact CB-CE2 4.09Å; V485-F515 HydrophobicContact CB-CZ 4.26Å; V485-F515 HydrophobicContact CG2-CE2 3.87Å
486G71.8Confident85.2Confident64 Ų6465.2 Ų65.266%0.6639%0.389SS*.THydrogen-bonded Turntrans61.524160.800000116.7
487G74.7Confident85.1Confident68 Ų6863.7 Ų63.770%0.70138%0.382SS*.THydrogen-bonded Turntrans85.318.3179.800000115.6V485V485-G487 VanDerWaalsContact C-N 3.27Å; V485-G487 PolarHBondContact O-N 2.95Å
488V84.6Confident85.1Confident54 Ų5462.4 Ų62.433%0.32737%0.372SS..  trans-63.3131.91651730000109.8V485 I492 F515V485-V488 HydrophobicContact CG1-CB 3.96Å; V485-V488 HydrophobicContact CG1-CG2 4.21Å; V485-V488 WeakPolarHBondContact O-CG2 3.41Å; V485-V488 PolarHBondContact O-N 3.26Å; V485-V488 VanDerWaalsContact O-N 3.16Å; V488-I492 HydrophobicContact CG1-CB 3.94Å; V488-I492 HydrophobicContact CG1-CG2 4Å; V488-F515 WeakPolarHBondContact O-CE1 3.29Å; V488-F515 WeakPolarHBondContact O-CZ 3.37Å
489P84.4Confident85Confident71 Ų7166 Ų6646%0.46138%0.379SS..  trans-60.1146.3175.2-25.534.6000113.7E491 I492P489-E491 VanDerWaalsContact C-N 3.32Å; P489-E491 PolarHBondContact O-N 3.4Å; P489-I492 HydrophobicContact CG-CD1 4.5Å; P489-I492 PolarHBondContact O-N 3.37Å; P489-I492 VanDerWaalsContact O-N 3.14Å
490F85.4Confident85Confident28 Ų2865.5 Ų65.512%0.12338%0.377CS..Hα-helixtrans-54.9-43.9-178.9-179.2-93.7000112.8I492 L493 E494 L497 F515 D518 L522F490-I492 PolarHBondContact O-N 2.7Å; F490-L493 CarbonylContact O-C 3.59Å; F490-L493 WeakPolarHBondContact O-CA 3.04Å; F490-L493 PolarHBondContact O-N 3.19Å; F490-E494 HydrophobicContact CD1-CB 4.27Å; F490-E494 HydrophobicContact CE1-CB 3.91Å; F490-E494 HydrophobicContact CE1-CG 3.71Å; F490-E494 HydrophobicContact CZ-CB 4.39Å; F490-E494 HydrophobicContact CZ-CG 4.05Å; F490-E494 PolarHBondContact O-N 3.08Å; F490-L497 HydrophobicContact CD2-CD1 3.9Å; F490-L497 HydrophobicContact CE2-CD1 3.55Å; F490-L497 HydrophobicContact CZ-CD1 4.43Å; F490-F515 HydrophobicContact CB-CD1 3.99Å; F490-F515 HydrophobicContact CB-CE1 4.25Å; F490-F515 HydrophobicContact CD2-CB 4.14Å; F490-F515 AromaticContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CG 4.2Å; F490-F515 HydrophobicContact CG-CD1 4.47Å; F490-D518 HydrophobicContact CB-CB 4.08Å; F490-D518 VanDerWaalsContact CB-OD2 3.28Å; F490-D518 WeakPolarHBondContact CB-OD2 3.29Å; F490-D518 HydrophobicContact CD1-CB 3.57Å; F490-D518 HydrophobicContact CD2-CB 3.52Å; F490-D518 HydrophobicContact CE1-CB 3.75Å; F490-D518 HydrophobicContact CE2-CB 3.69Å; F490-D518 HydrophobicContact CG-CB 3.45Å; F490-D518 VanDerWaalsContact CG-CB 3.45Å; F490-D518 HydrophobicContact CZ-CB 3.79Å; F490-D518 WeakPolarHBondContact CZ-O 3.35Å; F490-L522 HydrophobicContact CE2-CD1 4.09Å; F490-L522 HydrophobicContact CZ-CD1 3.93Å; F490-L522 HydrophobicContact CZ-CG 4.31Å
491E87.9Confident85.1Confident160 Ų16063.4 Ų63.475%0.74837%0.368SS*.Hα-helixtrans-46.9-36177.1-58.3170.7-176.800114.2P489P489-E491 VanDerWaalsContact C-N 3.32Å; P489-E491 PolarHBondContact O-N 3.4Å
492I87.8Confident85.2Confident81 Ų8158.8 Ų58.842%0.41534%0.335SS..Hα-helixtrans-81-28.7-177.7-61.2-177.2000110.8Y468 I472 V488 P489 F490Y468-I492 HydrophobicContact CE2-CG2 4.33Å; I472-I492 VanDerWaalsContact CD1-O 3.32Å; I472-I492 WeakPolarHBondContact CD1-O 3.38Å; V488-I492 HydrophobicContact CG1-CB 3.94Å; V488-I492 HydrophobicContact CG1-CG2 4Å; P489-I492 HydrophobicContact CG-CD1 4.5Å; P489-I492 PolarHBondContact O-N 3.37Å; P489-I492 VanDerWaalsContact O-N 3.14Å; F490-I492 PolarHBondContact O-N 2.7Å
493L88.1Confident85.4Confident6 Ų661.8 Ų61.83%0.03135%0.349CS..Hα-helixtrans-97.6-19.5-177-157.174.2000113.5V485 F490 P495 V496 L497 F515V485-L493 HydrophobicContact CB-CD2 4.4Å; V485-L493 HydrophobicContact CG1-CD1 4.01Å; V485-L493 HydrophobicContact CG1-CD2 3.93Å; V485-L493 HydrophobicContact CG2-CD2 3.88Å; F490-L493 CarbonylContact O-C 3.59Å; F490-L493 WeakPolarHBondContact O-CA 3.04Å; F490-L493 PolarHBondContact O-N 3.19Å; L493-P495 VanDerWaalsContact C-CD 3.42Å; L493-P495 VanDerWaalsContact C-N 3.31Å; L493-V496 HydrophobicContact CD1-CB 4.32Å; L493-V496 HydrophobicContact CD1-CG2 4.27Å; L493-V496 HydrophobicContact CG-CB 4.42Å; L493-V496 WeakPolarHBondContact O-CA 3.32Å; L493-V496 VanDerWaalsContact O-CB 3.29Å; L493-V496 WeakPolarHBondContact O-CB 3.21Å; L493-V496 PolarHBondContact O-N 3.46Å; L493-L497 HydrophobicContact CB-CG 4.47Å; L493-L497 HydrophobicContact CD2-CD1 4.05Å; L493-L497 HydrophobicContact CD2-CD2 3.84Å; L493-L497 HydrophobicContact CD2-CG 3.9Å; L493-L497 HydrophobicContact CG-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD2 4.26Å; L493-L497 HydrophobicContact CG-CG 3.98Å; L493-L497 PolarHBondContact O-N 2.8Å; L493-F515 HydrophobicContact CD2-CE2 3.96Å; L493-F515 HydrophobicContact CD2-CZ 4.26Å
494E89.7Confident85.9Confident62 Ų6260.1 Ų60.129%0.2933%0.331SS..Hα-helixtrans-48.2-44.3-179.8-164.4-149159.400112.9F490 V496 L497 E498 L522 R525F490-E494 HydrophobicContact CD1-CB 4.27Å; F490-E494 HydrophobicContact CE1-CB 3.91Å; F490-E494 HydrophobicContact CE1-CG 3.71Å; F490-E494 HydrophobicContact CZ-CB 4.39Å; F490-E494 HydrophobicContact CZ-CG 4.05Å; F490-E494 PolarHBondContact O-N 3.08Å; E494-V496 PolarHBondContact O-N 2.93Å; E494-V496 VanDerWaalsContact O-N 3.11Å; E494-L497 PolarHBondContact O-N 2.92Å; E494-L497 VanDerWaalsContact O-N 3.08Å; E494-E498 PolarHBondContact O-N 3.37Å; E494-L522 HydrophobicContact CG-CD2 4.27Å; E494-R525 IonicContact OE1-CZ 3.58Å; E494-R525 IonicContact OE1-NH1 3.31Å; E494-R525 PolarHBondContact OE1-NH1 3.05Å; E494-R525 VanDerWaalsContact OE1-NH1 3.09Å; E494-R525 IonicContact OE1-NH2 3.46Å; E494-R525 PolarHBondContact OE1-NH2 3.39Å
495P89.9Confident86.2Confident41 Ų4152.7 Ų52.727%0.26630%0.296SS..Hα-helixtrans-67.1-15.1178.7-20.935.4000113.9I472 Q476 L493I472-P495 HydrophobicContact CG2-CB 4.21Å; Q476-P495 PolarHBondContact NE2-O 2.99Å; L493-P495 VanDerWaalsContact C-CD 3.42Å; L493-P495 VanDerWaalsContact C-N 3.31Å
496V90.1Very high86.7Confident1 Ų155.5 Ų55.51%0.00631%0.305CS..Hα-helixtrans-87-47.4169.2-172.10000109.8I472 L475 Q476 I479 I482 L493 E494 E498 R499 C500I472-V496 HydrophobicContact CD1-CG2 3.82Å; I472-V496 HydrophobicContact CG2-CG2 4.28Å; L475-V496 HydrophobicContact CB-CG1 3.96Å; L475-V496 HydrophobicContact CB-CG2 3.77Å; L475-V496 HydrophobicContact CD1-CG2 4.14Å; Q476-V496 HydrophobicContact CG-CB 4.46Å; Q476-V496 HydrophobicContact CG-CG1 4.34Å; Q476-V496 HydrophobicContact CG-CG2 4.36Å; I479-V496 HydrophobicContact CG1-CG1 4.23Å; I482-V496 HydrophobicContact CD1-CG1 3.97Å; L493-V496 HydrophobicContact CD1-CB 4.32Å; L493-V496 HydrophobicContact CD1-CG2 4.27Å; L493-V496 HydrophobicContact CG-CB 4.42Å; L493-V496 WeakPolarHBondContact O-CA 3.32Å; L493-V496 VanDerWaalsContact O-CB 3.29Å; L493-V496 WeakPolarHBondContact O-CB 3.21Å; L493-V496 PolarHBondContact O-N 3.46Å; E494-V496 PolarHBondContact O-N 2.93Å; E494-V496 VanDerWaalsContact O-N 3.11Å; V496-E498 PolarHBondContact O-N 3.48Å; V496-R499 PolarHBondContact O-N 3.17Å; V496-R499 VanDerWaalsContact O-N 3.08Å; V496-C500 PolarHBondContact O-N 3.04Å
497L88Confident87.5Confident2 Ų258.1 Ų58.11%0.0130%0.295CS..Hα-helixtrans-64-37.5-177-62.7-177.5000113.1F490 L493 E494 R499 C500 L505 I508 L522F490-L497 HydrophobicContact CD2-CD1 3.9Å; F490-L497 HydrophobicContact CE2-CD1 3.55Å; F490-L497 HydrophobicContact CZ-CD1 4.43Å; L493-L497 HydrophobicContact CB-CG 4.47Å; L493-L497 HydrophobicContact CD2-CD1 4.05Å; L493-L497 HydrophobicContact CD2-CD2 3.84Å; L493-L497 HydrophobicContact CD2-CG 3.9Å; L493-L497 HydrophobicContact CG-CD1 4.41Å; L493-L497 HydrophobicContact CG-CD2 4.26Å; L493-L497 HydrophobicContact CG-CG 3.98Å; L493-L497 PolarHBondContact O-N 2.8Å; E494-L497 PolarHBondContact O-N 2.92Å; E494-L497 VanDerWaalsContact O-N 3.08Å; L497-R499 PolarHBondContact O-N 2.79Å; L497-C500 VanDerWaalsContact O-CB 3.29Å; L497-C500 WeakPolarHBondContact O-CB 3.42Å; L497-C500 PolarHBondContact O-N 2.77Å; L497-L505 HydrophobicContact CB-CD1 4.37Å; L497-L505 HydrophobicContact CD1-CD1 4.48Å; L497-L505 HydrophobicContact CD2-CD1 4.21Å; L497-I508 HydrophobicContact CD2-CD1 4.14Å; L497-I508 HydrophobicContact CD2-CG2 4.15Å; L497-L522 HydrophobicContact CB-CD1 3.5Å; L497-L522 VanDerWaalsContact CB-CD1 3.5Å; L497-L522 HydrophobicContact CD1-CD1 4.09Å; L497-L522 HydrophobicContact CG-CD1 4.45Å
498E90.1Very high88.1Confident104 Ų10455.1 Ų55.149%0.48626%0.263SS..THydrogen-bonded Turntrans-54.3-27172.9172.6169.3-11600113.1E494 V496 L522 R525E494-E498 PolarHBondContact O-N 3.37Å; V496-E498 PolarHBondContact O-N 3.48Å; E498-L522 HydrophobicContact CB-CD2 4.36Å; E498-R525 IonicContact OE1-CZ 3.91Å; E498-R525 IonicContact OE1-NH1 2.73Å; E498-R525 PolarHBondContact OE1-NH1 2.64Å
499R87Confident88.3Confident160 Ų16052.7 Ų52.760%0.60425%0.248SC*.THydrogen-bonded Turntrans-99.5-0.8-175.8-49.9-167.879.1177.96.1113.5Q476 V496 L497Q476-R499 VanDerWaalsContact NE2-CD 3.27Å; V496-R499 PolarHBondContact O-N 3.17Å; V496-R499 VanDerWaalsContact O-N 3.08Å; L497-R499 PolarHBondContact O-N 2.79Å
500C88.3Confident88.2Confident5 Ų554.8 Ų54.83%0.03425%0.252CS..SBendtrans-66.4158.1172.6-66.60000111.3I479 V496 L497 Q504 L505I479-C500 HydrophobicContact CG2-CB 4.42Å; I479-C500 WeakPolarHBondContact CG2-SG 3.21Å; V496-C500 PolarHBondContact O-N 3.04Å; L497-C500 VanDerWaalsContact O-CB 3.29Å; L497-C500 WeakPolarHBondContact O-CB 3.42Å; L497-C500 PolarHBondContact O-N 2.77Å; C500-Q504 HydrophobicContact CB-CB 3.96Å; C500-L505 HydrophobicContact CB-CB 4.23Å
501T89.1Confident88.1Confident56 Ų5656 Ų5634%0.34426%0.263SS..  trans-76.6157.615679.70000109.8E503 Q504 L505T501-E503 WeakPolarHBondContact CB-OE2 3.34Å; T501-E503 PolarHBondContact O-N 3.09Å; T501-E503 PolarHBondContact OG1-OE2 2.59Å; T501-Q504 WeakPolarHBondContact O-CA 3.26Å; T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.21Å; T501-Q504 PolarHBondContact OG1-N 3.22Å; T501-L505 PolarHBondContact O-N 3.34Å
502P88.5Confident87.7Confident6 Ų648.9 Ų48.94%0.03923%0.231CC..Hα-helixtrans-55.1-36.7176.9-25.636.2000112.7Q504 L505 Y506 W523 H526 Y546P502-Q504 VanDerWaalsContact C-N 3.34Å; P502-L505 PolarHBondContact O-N 2.95Å; P502-Y506 WeakPolarHBondContact O-CB 3.35Å; P502-Y506 PolarHBondContact O-N 2.68Å; P502-W523 HydrophobicContact CB-CH2 4.16Å; P502-W523 HydrophobicContact CB-CZ3 3.76Å; P502-W523 VanDerWaalsContact O-CH2 3.26Å; P502-W523 WeakPolarHBondContact O-CH2 3.44Å; P502-H526 HydrophobicContact CG-CB 4.18Å; P502-Y546 HydrophobicContact CB-CD1 4.28Å; P502-Y546 HydrophobicContact CB-CE1 3.59Å; P502-Y546 HydrophobicContact CB-CE2 4.37Å; P502-Y546 HydrophobicContact CG-CE1 4.09Å; P502-Y546 HydrophobicContact CG-CE2 4.1Å; P502-Y546 WeakPolarHBondContact CG-OH 3.45Å
503E87.8Confident87.2Confident89 Ų8952.5 Ų52.542%0.41625%0.246SC..Hα-helixtrans-77.5-18.4179.3-39.676.9-171.200112.8T501 R507T501-E503 WeakPolarHBondContact CB-OE2 3.34Å; T501-E503 PolarHBondContact O-N 3.09Å; T501-E503 PolarHBondContact OG1-OE2 2.59Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-NE 3.38Å
504Q90Very high86.6Confident24 Ų2456.3 Ų56.311%0.11227%0.272CS..Hα-helixtrans-78.1-48.6166.2-77.1168.4-19.800110.4I479 D480 C500 T501 P502 Y506 R507 I508I479-Q504 HydrophobicContact CG2-CB 3.94Å; I479-Q504 HydrophobicContact CG2-CG 4.01Å; D480-Q504 VanDerWaalsContact CG-NE2 3.3Å; D480-Q504 PolarHBondContact OD1-NE2 3.16Å; D480-Q504 PolarHBondContact OD2-NE2 3.37Å; C500-Q504 HydrophobicContact CB-CB 3.96Å; T501-Q504 WeakPolarHBondContact O-CA 3.26Å; T501-Q504 WeakPolarHBondContact O-CB 3.38Å; T501-Q504 PolarHBondContact O-N 3.21Å; T501-Q504 PolarHBondContact OG1-N 3.22Å; P502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-Y506 PolarHBondContact O-N 2.85Å; Q504-R507 PolarHBondContact O-N 2.81Å; Q504-I508 WeakPolarHBondContact O-CG1 3.47Å; Q504-I508 PolarHBondContact O-N 2.66Å; Q504-I508 VanDerWaalsContact O-N 3.09Å
505L89.8Confident86Confident2 Ų253.6 Ų53.61%0.0126%0.259CS..Hα-helixtrans-56.9-48.3179.6179.159.5000111.6L497 C500 T501 P502 R507 I508 E509 L522 W523L497-L505 HydrophobicContact CB-CD1 4.37Å; L497-L505 HydrophobicContact CD1-CD1 4.48Å; L497-L505 HydrophobicContact CD2-CD1 4.21Å; C500-L505 HydrophobicContact CB-CB 4.23Å; T501-L505 PolarHBondContact O-N 3.34Å; P502-L505 PolarHBondContact O-N 2.95Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.7Å; L505-I508 PolarHBondContact O-N 2.66Å; L505-I508 VanDerWaalsContact O-N 3.09Å; L505-E509 VanDerWaalsContact CG-OE1 3.32Å; L505-E509 WeakPolarHBondContact CG-OE1 3.33Å; L505-E509 PolarHBondContact O-N 3Å; L505-L522 HydrophobicContact CD1-CD1 3.9Å; L505-L522 HydrophobicContact CD2-CB 3.74Å; L505-L522 HydrophobicContact CD2-CD1 4.18Å; L505-W523 HydrophobicContact CB-CZ2 4.24Å; L505-W523 HydrophobicContact CD2-CD2 4.11Å; L505-W523 HydrophobicContact CD2-CG 4.43Å; L505-W523 HydrophobicContact CD2-CZ2 3.89Å; L505-W523 HydrophobicContact CG-CZ2 3.86Å
506Y88.4Confident85.3Confident82 Ų8254 Ų5432%0.32226%0.26SS..Hα-helixtrans-56.2-41.6176.1-174.2-111.4000113.8P502 Q504 E509 Q510 L547P502-Y506 WeakPolarHBondContact O-CB 3.35Å; P502-Y506 PolarHBondContact O-N 2.68Å; Q504-Y506 PolarHBondContact O-N 2.85Å; Y506-E509 PolarHBondContact O-N 2.94Å; Y506-Q510 HydrophobicContact CE1-CG 4.39Å; Y506-Q510 VanDerWaalsContact CZ-NE2 3.33Å; Y506-Q510 WeakPolarHBondContact O-CG 3.44Å; Y506-Q510 PolarHBondContact O-N 3.22Å; Y506-Q510 PolarHBondContact OH-NE2 2.9Å; Y506-L547 HydrophobicContact CD2-CD1 4.21Å; Y506-L547 HydrophobicContact CD2-CD2 3.89Å; Y506-L547 HydrophobicContact CE2-CD1 3.78Å; Y506-L547 HydrophobicContact CE2-CD2 3.84Å; Y506-L547 HydrophobicContact CE2-CG 4.48Å; Y506-L547 HydrophobicContact CG-CD2 4.48Å
507R88.9Confident84.8Confident119 Ų11960.1 Ų60.145%0.44929%0.289SS..Hα-helixtrans-68.3-35.2177.1-74.2-177.9-70.4147.8-2.8112.4D480 E503 Q504 L505 S511D480-R507 IonicContact OD1-CZ 2.66Å; D480-R507 IonicContact OD1-NH1 2.66Å; D480-R507 PolarHBondContact OD1-NH1 2.95Å; D480-R507 IonicContact OD1-NH2 2.69Å; D480-R507 PolarHBondContact OD1-NH2 2.75Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-NE 3.38Å; Q504-R507 PolarHBondContact O-N 2.81Å; L505-R507 VanDerWaalsContact C-N 3.34Å; L505-R507 PolarHBondContact O-N 2.7Å; R507-S511 PolarHBondContact O-N 2.95Å; R507-S511 PolarHBondContact O-OG 2.99Å
508I86.9Confident84.4Confident4 Ų463.9 Ų63.92%0.02131%0.309CS..Hα-helixtrans-71.1-39.4177.1-65.4165.4000110.2I479 I482 V485 L497 Q504 L505 S511 N512I479-I508 HydrophobicContact CG2-CD1 4.21Å; I482-I508 HydrophobicContact CB-CD1 4.42Å; I482-I508 HydrophobicContact CG2-CD1 4.42Å; I482-I508 WeakPolarHBondContact O-CG1 3.44Å; V485-I508 HydrophobicContact CG2-CG2 4.36Å; L497-I508 HydrophobicContact CD2-CD1 4.14Å; L497-I508 HydrophobicContact CD2-CG2 4.15Å; Q504-I508 WeakPolarHBondContact O-CG1 3.47Å; Q504-I508 PolarHBondContact O-N 2.66Å; Q504-I508 VanDerWaalsContact O-N 3.09Å; L505-I508 PolarHBondContact O-N 2.66Å; L505-I508 VanDerWaalsContact O-N 3.09Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.93Å; I508-S511 VanDerWaalsContact O-OG 3.05Å; I508-N512 WeakPolarHBondContact O-CB 3.39Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 2.87Å
509E87.3Confident84.2Confident3 Ų359 Ų591%0.01429%0.286CS..Hα-helixtrans-65.3-44.2173.8-72.8161.8-163.800113.4L505 Y506 S511 N512 Q513 S519 W523 R543L505-E509 VanDerWaalsContact CG-OE1 3.32Å; L505-E509 WeakPolarHBondContact CG-OE1 3.33Å; L505-E509 PolarHBondContact O-N 3Å; Y506-E509 PolarHBondContact O-N 2.94Å; E509-S511 PolarHBondContact O-N 3.4Å; E509-S511 VanDerWaalsContact O-N 3.13Å; E509-N512 CarbonylContact O-C 3.49Å; E509-N512 PolarHBondContact O-N 2.91Å; E509-Q513 PolarHBondContact O-N 3.42Å; E509-S519 WeakPolarHBondContact OE1-CB 3.3Å; E509-S519 PolarHBondContact OE1-OG 2.77Å; E509-W523 PolarHBondContact OE1-NE1 3.01Å; E509-R543 IonicContact OE2-CZ 3.18Å; E509-R543 VanDerWaalsContact OE2-CZ 3.28Å; E509-R543 IonicContact OE2-NE 2.71Å; E509-R543 PolarHBondContact OE2-NE 2.92Å; E509-R543 IonicContact OE2-NH2 3.37Å; E509-R543 PolarHBondContact OE2-NH2 3.22Å
510Q84.3Confident84.2Confident116 Ų11653.1 Ų53.154%0.54227%0.267SS..Hα-helixtrans-55.5-31.5176.3-79.5-175.8-19.400112.4Y506Y506-Q510 HydrophobicContact CE1-CG 4.39Å; Y506-Q510 VanDerWaalsContact CZ-NE2 3.33Å; Y506-Q510 WeakPolarHBondContact O-CG 3.44Å; Y506-Q510 PolarHBondContact O-N 3.22Å; Y506-Q510 PolarHBondContact OH-NE2 2.9Å
511S81.3Confident84.1Confident53 Ų5358.5 Ų58.537%0.37129%0.292SS..Hα-helixtrans-91.7-16.3175.944.40000114A483 R507 I508 E509A483-S511 PolarHBondContact O-OG 3.3Å; R507-S511 PolarHBondContact O-N 2.95Å; R507-S511 PolarHBondContact O-OG 2.99Å; I508-S511 PolarHBondContact O-N 3.24Å; I508-S511 PolarHBondContact O-OG 2.93Å; I508-S511 VanDerWaalsContact O-OG 3.05Å; E509-S511 PolarHBondContact O-N 3.4Å; E509-S511 VanDerWaalsContact O-N 3.13Å
512N81.5Confident84.2Confident11 Ų1155.9 Ų55.96%0.05928%0.276CS..  trans-137.871.9-177-54.1-93.9000110.9A483 V485 I508 E509 C514 F515A483-N512 PolarHBondContact O-ND2 3.27Å; V485-N512 PolarHBondContact N-OD1 3.4Å; I508-N512 WeakPolarHBondContact O-CB 3.39Å; I508-N512 PolarHBondContact O-N 3.34Å; I508-N512 PolarHBondContact O-ND2 2.87Å; E509-N512 CarbonylContact O-C 3.49Å; E509-N512 PolarHBondContact O-N 2.91Å; N512-C514 PolarHBondContact O-N 3.06Å; N512-F515 HydrophobicContact CB-CD2 3.49Å; N512-F515 VanDerWaalsContact CB-CD2 3.49Å; N512-F515 HydrophobicContact CB-CE2 3.57Å; N512-F515 HydrophobicContact CB-CG 4.42Å; N512-F515 PolarHBondContact O-N 3.12Å
513Q76.4Confident84.2Confident157 Ų15755.7 Ų55.773%0.73427%0.274SS*.G310 helixtrans-51.7-22.8-177.8-63.6173.4000114.4E509 F515 T516E509-Q513 PolarHBondContact O-N 3.42Å; Q513-F515 PolarHBondContact O-N 3.39Å; Q513-T516 PolarHBondContact O-N 3.36Å; Q513-T516 PolarHBondContact O-OG1 3.08Å
514C74.6Confident84.3Confident85 Ų8553 Ų5357%0.57426%0.262SS*.G310 helixtrans-66.2-17.2176.654.20000115N512N512-C514 PolarHBondContact O-N 3.06Å
515F78Confident84.2Confident5 Ų555.3 Ų55.32%0.02227%0.27CS..G310 helixtrans-92.6-6.6177.9-56.5-39.5000113.6V485 V488 F490 L493 N512 Q513 E517 D518 S519V485-F515 HydrophobicContact CB-CE2 4.09Å; V485-F515 HydrophobicContact CB-CZ 4.26Å; V485-F515 HydrophobicContact CG2-CE2 3.87Å; V488-F515 WeakPolarHBondContact O-CE1 3.29Å; V488-F515 WeakPolarHBondContact O-CZ 3.37Å; F490-F515 HydrophobicContact CB-CD1 3.99Å; F490-F515 HydrophobicContact CB-CE1 4.25Å; F490-F515 HydrophobicContact CD2-CB 4.14Å; F490-F515 AromaticContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CD1 3.93Å; F490-F515 HydrophobicContact CD2-CG 4.2Å; F490-F515 HydrophobicContact CG-CD1 4.47Å; L493-F515 HydrophobicContact CD2-CE2 3.96Å; L493-F515 HydrophobicContact CD2-CZ 4.26Å; N512-F515 HydrophobicContact CB-CD2 3.49Å; N512-F515 VanDerWaalsContact CB-CD2 3.49Å; N512-F515 HydrophobicContact CB-CE2 3.57Å; N512-F515 HydrophobicContact CB-CG 4.42Å; N512-F515 PolarHBondContact O-N 3.12Å; Q513-F515 PolarHBondContact O-N 3.39Å; F515-E517 VanDerWaalsContact C-N 3.3Å; F515-E517 PolarHBondContact O-N 3.25Å; F515-D518 PolarHBondContact O-N 3.26Å; F515-S519 WeakPolarHBondContact O-CB 3.35Å; F515-S519 PolarHBondContact O-N 2.95Å; F515-S519 PolarHBondContact O-OG 3.46Å
516T75.4Confident84.1Confident49 Ų4955.5 Ų55.530%0.30127%0.271SS..THydrogen-bonded Turntrans-59.6-39.6-172.1-37.50000112.4Q513 S519Q513-T516 PolarHBondContact O-N 3.36Å; Q513-T516 PolarHBondContact O-OG1 3.08Å; T516-S519 PolarHBondContact O-OG 3.5Å
517E79.2Confident84Confident131 Ų13151.7 Ų51.761%0.61226%0.256SS*.THydrogen-bonded Turntrans-69-49.8178.3-69.6165.8-161.700111.7R65 F515 S519R65-E517 IonicContact CZ-OE1 2.73Å; R65-E517 IonicContact NH1-OE1 3.16Å; R65-E517 PolarHBondContact NH1-OE1 2.94Å; R65-E517 IonicContact NH2-OE1 3.13Å; R65-E517 PolarHBondContact NH2-OE1 3.49Å; F515-E517 VanDerWaalsContact C-N 3.3Å; F515-E517 PolarHBondContact O-N 3.25Å; E517-S519 VanDerWaalsContact C-N 3.29Å; E517-S519 PolarHBondContact O-N 3.14Å
518D80.7Confident83.8Confident81 Ų8153.6 Ų53.643%0.43326%0.263SS..THydrogen-bonded Turntrans-69.3-25.6-179.5-55.6-40.1000113F490 F515 D520F490-D518 HydrophobicContact CB-CB 4.08Å; F490-D518 VanDerWaalsContact CB-OD2 3.28Å; F490-D518 WeakPolarHBondContact CB-OD2 3.29Å; F490-D518 HydrophobicContact CD1-CB 3.57Å; F490-D518 HydrophobicContact CD2-CB 3.52Å; F490-D518 HydrophobicContact CE1-CB 3.75Å; F490-D518 HydrophobicContact CE2-CB 3.69Å; F490-D518 HydrophobicContact CG-CB 3.45Å; F490-D518 VanDerWaalsContact CG-CB 3.45Å; F490-D518 HydrophobicContact CZ-CB 3.79Å; F490-D518 WeakPolarHBondContact CZ-O 3.35Å; F515-D518 PolarHBondContact O-N 3.26Å; D518-D520 VanDerWaalsContact C-N 3.31Å; D518-D520 PolarHBondContact O-N 3.38Å
519S84.3Confident83.8Confident0 Ų058.6 Ų58.60%028%0.282CS..THydrogen-bonded Turntrans-70.3-18.5-174.168.70000115E509 F515 T516 E517 E521 L522 W523E509-S519 WeakPolarHBondContact OE1-CB 3.3Å; E509-S519 PolarHBondContact OE1-OG 2.77Å; F515-S519 WeakPolarHBondContact O-CB 3.35Å; F515-S519 PolarHBondContact O-N 2.95Å; F515-S519 PolarHBondContact O-OG 3.46Å; T516-S519 PolarHBondContact O-OG 3.5Å; E517-S519 VanDerWaalsContact C-N 3.29Å; E517-S519 PolarHBondContact O-N 3.14Å; S519-E521 PolarHBondContact O-N 3.09Å; S519-E521 VanDerWaalsContact O-N 3.16Å; S519-L522 WeakPolarHBondContact O-CA 3.23Å; S519-L522 WeakPolarHBondContact O-CB 3.39Å; S519-L522 PolarHBondContact O-N 3.5Å; S519-W523 VanDerWaalsContact O-CD1 3.29Å; S519-W523 PolarHBondContact O-N 2.83Å
520D87.5Confident83.6Confident38 Ų3861.1 Ų61.120%0.20330%0.295CS..Hα-helixtrans-65.8-25.1-168-154.549.1000112.9D518 L522 W523 M524 W542 R543D518-D520 VanDerWaalsContact C-N 3.31Å; D518-D520 PolarHBondContact O-N 3.38Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.23Å; D520-W523 PolarHBondContact O-N 3.04Å; D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 PolarHBondContact O-N 3.07Å; D520-W542 WeakPolarHBondContact OD1-CA 3.38Å; D520-W542 WeakPolarHBondContact OD1-CB 3.32Å; D520-W542 PolarHBondContact OD1-N 3.35Å; D520-W542 VanDerWaalsContact OD2-CD1 3.27Å; D520-W542 PolarHBondContact OD2-N 3.43Å; D520-W542 VanDerWaalsContact OD2-N 3.07Å; D520-R543 WeakPolarHBondContact OD1-CB 3.25Å; D520-R543 PolarHBondContact OD1-N 2.88Å
521E86.7Confident83.4Confident118 Ų11857 Ų5755%0.55128%0.275SS*.Hα-helixtrans-68.2-26.4170.3-70.7-152.7170.500114S519 M524 R525S519-E521 PolarHBondContact O-N 3.09Å; S519-E521 VanDerWaalsContact O-N 3.16Å; E521-M524 HydrophobicContact CB-CE 4.32Å; E521-M524 HydrophobicContact CG-CE 4.2Å; E521-R525 WeakPolarHBondContact O-CG 3.02Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 VanDerWaalsContact O-N 3.09Å; E521-R525 PolarHBondContact O-NE 2.91Å; E521-R525 IonicContact OE2-NH2 3.36Å
522L90Very high83.3Confident1 Ų162.2 Ų62.21%0.00529%0.291CS..Hα-helixtrans-74.7-42.4174.1-50.8175.2000109.7F490 E494 L497 E498 L505 S519 D520 M524 R525 H526F490-L522 HydrophobicContact CE2-CD1 4.09Å; F490-L522 HydrophobicContact CZ-CD1 3.93Å; F490-L522 HydrophobicContact CZ-CG 4.31Å; E494-L522 HydrophobicContact CG-CD2 4.27Å; L497-L522 HydrophobicContact CB-CD1 3.5Å; L497-L522 VanDerWaalsContact CB-CD1 3.5Å; L497-L522 HydrophobicContact CD1-CD1 4.09Å; L497-L522 HydrophobicContact CG-CD1 4.45Å; E498-L522 HydrophobicContact CB-CD2 4.36Å; L505-L522 HydrophobicContact CD1-CD1 3.9Å; L505-L522 HydrophobicContact CD2-CB 3.74Å; L505-L522 HydrophobicContact CD2-CD1 4.18Å; S519-L522 WeakPolarHBondContact O-CA 3.23Å; S519-L522 WeakPolarHBondContact O-CB 3.39Å; S519-L522 PolarHBondContact O-N 3.5Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.23Å; L522-M524 VanDerWaalsContact C-N 3.35Å; L522-M524 PolarHBondContact O-N 2.58Å; L522-R525 WeakPolarHBondContact O-CB 3.44Å; L522-R525 PolarHBondContact O-N 3.14Å; L522-R525 VanDerWaalsContact O-N 3.14Å; L522-H526 PolarHBondContact O-N 2.85Å
523W90.4Very high82.7Confident2 Ų272.7 Ų72.71%0.00833%0.33CS..Hα-helixtrans-60.6-42.8171.2-68.4105.4000111.9P502 L505 E509 S519 D520 R525 H526 C527 W542 R543 Y546P502-W523 HydrophobicContact CB-CH2 4.16Å; P502-W523 HydrophobicContact CB-CZ3 3.76Å; P502-W523 VanDerWaalsContact O-CH2 3.26Å; P502-W523 WeakPolarHBondContact O-CH2 3.44Å; L505-W523 HydrophobicContact CB-CZ2 4.24Å; L505-W523 HydrophobicContact CD2-CD2 4.11Å; L505-W523 HydrophobicContact CD2-CG 4.43Å; L505-W523 HydrophobicContact CD2-CZ2 3.89Å; L505-W523 HydrophobicContact CG-CZ2 3.86Å; E509-W523 PolarHBondContact OE1-NE1 3.01Å; S519-W523 VanDerWaalsContact O-CD1 3.29Å; S519-W523 PolarHBondContact O-N 2.83Å; D520-W523 PolarHBondContact O-N 3.04Å; W523-R525 VanDerWaalsContact C-N 3.32Å; W523-R525 PolarHBondContact O-N 3.19Å; W523-H526 CarbonylContact O-C 3.4Å; W523-H526 PolarHBondContact O-N 3.01Å; W523-H526 VanDerWaalsContact O-N 3.08Å; W523-C527 PolarHBondContact O-N 2.81Å; W523-C527 PolarHBondContact O-SG 3.22Å; W523-W542 HydrophobicContact CB-CB 3.95Å; W523-R543 HydrophobicContact CB-CB 4.16Å; W523-R543 HydrophobicContact CD2-CB 4.13Å; W523-R543 HydrophobicContact CD2-CG 4.09Å; W523-R543 HydrophobicContact CG-CB 3.69Å; W523-R543 HydrophobicContact CG-CG 4.09Å; W523-R543 HydrophobicContact CZ2-CG 4.45Å; W523-Y546 AromaticContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD2 4.3Å; W523-Y546 AromaticContact CE3-CG 3.67Å; W523-Y546 HydrophobicContact CE3-CG 3.67Å; W523-Y546 AromaticContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD1 3.48Å; W523-Y546 VanDerWaalsContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD2 4.49Å; W523-Y546 HydrophobicContact CZ3-CE1 4.14Å; W523-Y546 AromaticContact CZ3-CG 3.7Å; W523-Y546 HydrophobicContact CZ3-CG 3.7Å
524M87.9Confident82.5Confident32 Ų3270.4 Ų70.416%0.15832%0.319CS..Hα-helixtrans-57-43.5171.7-178.8177.953.800112.1D520 E521 L522 H526 R528 W542D520-M524 WeakPolarHBondContact O-CB 3.39Å; D520-M524 PolarHBondContact O-N 3.07Å; E521-M524 HydrophobicContact CB-CE 4.32Å; E521-M524 HydrophobicContact CG-CE 4.2Å; L522-M524 VanDerWaalsContact C-N 3.35Å; L522-M524 PolarHBondContact O-N 2.58Å; M524-H526 VanDerWaalsContact C-N 3.33Å; M524-H526 PolarHBondContact O-N 2.73Å; M524-R528 WeakPolarHBondContact O-CB 3.42Å; M524-R528 VanDerWaalsContact O-CG 3.25Å; M524-R528 WeakPolarHBondContact O-CG 3.48Å; M524-R528 PolarHBondContact O-N 2.95Å; M524-R528 VanDerWaalsContact SD-CZ 3.5Å; M524-R528 PolarHBondContact SD-NH2 3.46Å; M524-W542 HydrophobicContact CB-CB 4.08Å; M524-W542 HydrophobicContact CB-CD2 3.7Å; M524-W542 HydrophobicContact CB-CE3 4.28Å; M524-W542 HydrophobicContact CB-CG 3.58Å; M524-W542 HydrophobicContact CG-CD2 3.73Å; M524-W542 HydrophobicContact CG-CE3 4.15Å; M524-W542 HydrophobicContact CG-CG 4.13Å; M524-W542 HydrophobicContact CG-CH2 4.38Å; M524-W542 HydrophobicContact CG-CZ2 3.98Å; M524-W542 HydrophobicContact CG-CZ3 4.46Å; M524-W542 HydrophobicContact SD-CZ2 4.07Å
525R88.2Confident82.2Confident73 Ų7370.3 Ų70.328%0.27532%0.32SS..Hα-helixtrans-61.5-40.1174.7-74.7173.1-118.7-173-0.4111.2E494 E498 E521 L522 W523 R529E494-R525 IonicContact OE1-CZ 3.58Å; E494-R525 IonicContact OE1-NH1 3.31Å; E494-R525 PolarHBondContact OE1-NH1 3.05Å; E494-R525 VanDerWaalsContact OE1-NH1 3.09Å; E494-R525 IonicContact OE1-NH2 3.46Å; E494-R525 PolarHBondContact OE1-NH2 3.39Å; E498-R525 IonicContact OE1-CZ 3.91Å; E498-R525 IonicContact OE1-NH1 2.73Å; E498-R525 PolarHBondContact OE1-NH1 2.64Å; E521-R525 WeakPolarHBondContact O-CG 3.02Å; E521-R525 PolarHBondContact O-N 2.97Å; E521-R525 VanDerWaalsContact O-N 3.09Å; E521-R525 PolarHBondContact O-NE 2.91Å; E521-R525 IonicContact OE2-NH2 3.36Å; L522-R525 WeakPolarHBondContact O-CB 3.44Å; L522-R525 PolarHBondContact O-N 3.14Å; L522-R525 VanDerWaalsContact O-N 3.14Å; W523-R525 VanDerWaalsContact C-N 3.32Å; W523-R525 PolarHBondContact O-N 3.19Å; R525-R529 WeakPolarHBondContact O-CB 3.49Å; R525-R529 PolarHBondContact O-N 2.88Å; R525-R529 VanDerWaalsContact O-N 3.14Å
526H88.4Confident82.1Confident6 Ų671.8 Ų71.83%0.02833%0.33CS..Hα-helixtrans-70.9-44.6176.2-64.4-26.9000113.2P502 L522 W523 M524 R528 R529 D530 Y546P502-H526 HydrophobicContact CG-CB 4.18Å; L522-H526 PolarHBondContact O-N 2.85Å; W523-H526 CarbonylContact O-C 3.4Å; W523-H526 PolarHBondContact O-N 3.01Å; W523-H526 VanDerWaalsContact O-N 3.08Å; M524-H526 VanDerWaalsContact C-N 3.33Å; M524-H526 PolarHBondContact O-N 2.73Å; H526-R528 PolarHBondContact O-N 2.71Å; H526-R529 PolarHBondContact ND1-NH1 2.86Å; H526-R529 CarbonylContact O-C 3.38Å; H526-R529 WeakPolarHBondContact O-CA 3.17Å; H526-R529 WeakPolarHBondContact O-CB 3.35Å; H526-R529 PolarHBondContact O-N 3.42Å; H526-D530 PolarHBondContact O-N 3.33Å; H526-Y546 HydrophobicContact CB-CD2 4.01Å; H526-Y546 HydrophobicContact CB-CE2 3.93Å
527C86.2Confident82Confident2 Ų275.6 Ų75.61%0.01434%0.344CS..Hα-helixtrans-56.5-48.8173.5-750000111.6W523 R529 D530 F531 W542 M545W523-C527 PolarHBondContact O-N 2.81Å; W523-C527 PolarHBondContact O-SG 3.22Å; C527-R529 PolarHBondContact O-N 3.08Å; C527-D530 PolarHBondContact O-N 3.1Å; C527-F531 CarbonylContact O-C 3.14Å; C527-F531 WeakPolarHBondContact O-CA 3.5Å; C527-F531 PolarHBondContact O-N 3.14Å; C527-W542 HydrophobicContact CB-CE3 3.77Å; C527-W542 HydrophobicContact CB-CZ3 4.13Å; C527-W542 PolarHBondContact SG-O 3.36Å; C527-W542 VanDerWaalsContact SG-O 3.38Å; C527-M545 HydrophobicContact CB-SD 4.16Å
528R85.3Confident81.4Confident158 Ų15877 Ų7760%0.59635%0.351SS*.Hα-helixtrans-62.9-27.5175.8-69172.7-178.3-164.71.9113.1M524 H526M524-R528 WeakPolarHBondContact O-CB 3.42Å; M524-R528 VanDerWaalsContact O-CG 3.25Å; M524-R528 WeakPolarHBondContact O-CG 3.48Å; M524-R528 PolarHBondContact O-N 2.95Å; M524-R528 VanDerWaalsContact SD-CZ 3.5Å; M524-R528 PolarHBondContact SD-NH2 3.46Å; H526-R528 PolarHBondContact O-N 2.71Å
529R86.4Confident81Confident110 Ų11083.1 Ų83.142%0.41537%0.374SS..Hα-helixtrans-77.6-40.3175.4-172.9-169.666.1-148.6-11.1112.2R525 H526 C527 K532R525-R529 WeakPolarHBondContact O-CB 3.49Å; R525-R529 PolarHBondContact O-N 2.88Å; R525-R529 VanDerWaalsContact O-N 3.14Å; H526-R529 PolarHBondContact ND1-NH1 2.86Å; H526-R529 CarbonylContact O-C 3.38Å; H526-R529 WeakPolarHBondContact O-CA 3.17Å; H526-R529 WeakPolarHBondContact O-CB 3.35Å; H526-R529 PolarHBondContact O-N 3.42Å; C527-R529 PolarHBondContact O-N 3.08Å; R529-K532 WeakPolarHBondContact O-CE 3.46Å; R529-K532 PolarHBondContact O-NZ 3.22Å
530D82.9Confident80.9Confident56 Ų5685 Ų8530%0.29938%0.383SS..Hα-helixtrans-106.8-37.8-166-59.6-25.5000112.7H526 C527 Y546H526-D530 PolarHBondContact O-N 3.33Å; C527-D530 PolarHBondContact O-N 3.1Å; D530-Y546 HydrophobicContact CB-CE2 4.3Å; D530-Y546 PolarHBondContact OD2-OH 2.88Å
531F81.2Confident80.9Confident29 Ų2984.8 Ų84.813%0.12738%0.384CS..  trans-119.167.6-174-57.8-70.7000112.1C527 R533 Y546 L549C527-F531 CarbonylContact O-C 3.14Å; C527-F531 WeakPolarHBondContact O-CA 3.5Å; C527-F531 PolarHBondContact O-N 3.14Å; F531-R533 PolarHBondContact O-N 3.44Å; F531-Y546 HydrophobicContact CD2-CD2 4.14Å; F531-Y546 HydrophobicContact CD2-CE2 4.12Å; F531-Y546 AromaticContact CE2-CD2 3.91Å; F531-Y546 HydrophobicContact CE2-CD2 3.91Å; F531-Y546 AromaticContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CG 4.43Å; F531-L549 HydrophobicContact CB-CD1 4.05Å; F531-L549 HydrophobicContact CD1-CB 3.97Å; F531-L549 HydrophobicContact CD1-CD1 4.25Å; F531-L549 HydrophobicContact CD2-CB 4.06Å; F531-L549 HydrophobicContact CD2-CD1 4.22Å; F531-L549 HydrophobicContact CE1-CB 3.71Å; F531-L549 HydrophobicContact CE2-CB 3.81Å; F531-L549 HydrophobicContact CG-CB 4.14Å; F531-L549 HydrophobicContact CG-CD1 3.93Å; F531-L549 HydrophobicContact CZ-CB 3.63Å; F531-L549 WeakPolarHBondContact CZ-O 3.48Å
532K77.4Confident81Confident162 Ų16282.4 Ų82.470%0.70437%0.37SS*.SBendtrans-67.510.4-176.7-66.889.1160.7-175.30116.3R529R529-K532 WeakPolarHBondContact O-CE 3.46Å; R529-K532 PolarHBondContact O-NZ 3.22Å
533R69.9Low81Confident232 Ų23284.7 Ų84.788%0.87538%0.379SS*.SBendtrans-132.3-31.5-168-71.5-170.8174.8-163.2-3114.5F531F531-R533 PolarHBondContact O-N 3.44Å
534E72.7Confident80.8Confident108 Ų10889.4 Ų89.451%0.50540%0.401SS..  trans-82151.3168.9-82.561.6-140.600111.3M545 L549E534-M545 HydrophobicContact CB-CE 3.82Å; E534-M545 VanDerWaalsContact O-CE 3.28Å; E534-M545 WeakPolarHBondContact O-CE 3.47Å; E534-L549 HydrophobicContact CB-CD1 3.71Å; E534-L549 HydrophobicContact CB-CD2 4.48Å; E534-L549 HydrophobicContact CG-CD1 4.11Å; E534-L549 HydrophobicContact CG-CD2 3.96Å
535S68.4Low80.8Confident84 Ų8487.9 Ų87.959%0.58739%0.394SS*.  trans-104.7164.1163.355.50000109.7
536P74.2Confident80.9Confident35 Ų3584.8 Ų84.823%0.22738%0.382CS..PPolyproline II helixtrans-55.4146.8161.6-20.432.1000110.3W542 M545P536-W542 HydrophobicContact CG-CD2 3.92Å; P536-W542 HydrophobicContact CG-CE3 3.78Å; P536-W542 HydrophobicContact CG-CH2 3.74Å; P536-W542 HydrophobicContact CG-CZ2 3.87Å; P536-W542 HydrophobicContact CG-CZ3 3.69Å; P536-M545 HydrophobicContact CB-SD 4.32Å; P536-M545 HydrophobicContact CG-SD 3.76Å
537Q74.7Confident80.9Confident129 Ų12986.2 Ų86.260%0.60339%0.39SS*.PPolyproline II helixtrans-71.9161.1165.6-167.16034.300109.8F539 E540Q537-F539 PolarHBondContact O-N 2.99Å; Q537-E540 HydrophobicContact CB-CB 3.95Å; Q537-E540 PolarHBondContact N-OE2 3.25Å; Q537-E540 VanDerWaalsContact O-CB 3.31Å; Q537-E540 WeakPolarHBondContact O-CB 3.34Å; Q537-E540 PolarHBondContact O-N 2.93Å
538E65.3Low81.1Confident160 Ų16090.2 Ų90.275%0.74840%0.404SS*.THydrogen-bonded Turntrans-57.1128.8174.6-63.7-177.5164.200110.8E540E538-E540 VanDerWaalsContact C-N 3.25Å; E538-E540 PolarHBondContact O-N 2.82Å
539F72.3Confident81.2Confident211 Ų21183 Ų8393%0.92538%0.377SS*.THydrogen-bonded Turntrans64.511.5-173.6-49.2-84.3000116.7Q537Q537-F539 PolarHBondContact O-N 2.99Å
540E83Confident81.3Confident39 Ų3979.3 Ų79.318%0.18237%0.365CS..  trans-88.8131.6174.2-170.2-179-131.600111.5Q537 E538 E544 M545 R548Q537-E540 HydrophobicContact CB-CB 3.95Å; Q537-E540 PolarHBondContact N-OE2 3.25Å; Q537-E540 VanDerWaalsContact O-CB 3.31Å; Q537-E540 WeakPolarHBondContact O-CB 3.34Å; Q537-E540 PolarHBondContact O-N 2.93Å; E538-E540 VanDerWaalsContact C-N 3.25Å; E538-E540 PolarHBondContact O-N 2.82Å; E540-E544 HydrophobicContact CG-CB 3.76Å; E540-M545 HydrophobicContact CG-CB 4.16Å; E540-M545 WeakPolarHBondContact OE2-CB 3.44Å; E540-R548 IonicContact OE1-CZ 2.68Å; E540-R548 IonicContact OE1-NE 2.75Å; E540-R548 PolarHBondContact OE1-NE 3Å; E540-R548 IonicContact OE1-NH2 2.68Å; E540-R548 PolarHBondContact OE1-NH2 2.87Å; E540-R548 VanDerWaalsContact OE1-NH2 3.13Å; E540-R548 IonicContact OE2-CZ 3.28Å; E540-R548 IonicContact OE2-NE 2.95Å; E540-R548 IonicContact OE2-NH2 2.7Å; E540-R548 PolarHBondContact OE2-NH2 2.75Å
541S88Confident81.6Confident34 Ų3480.8 Ų80.824%0.23837%0.373CS..  trans-71158170.962.10000112R543 E544 M545S541-R543 PolarHBondContact O-N 2.64Å; S541-E544 VanDerWaalsContact CB-OE2 3.31Å; S541-E544 WeakPolarHBondContact CB-OE2 3.14Å; S541-E544 PolarHBondContact N-OE2 3.14Å; S541-E544 PolarHBondContact O-N 3.26Å; S541-E544 WeakPolarHBondContact OG-CB 3.31Å; S541-E544 VanDerWaalsContact OG-CG 3.25Å; S541-E544 WeakPolarHBondContact OG-CG 3.46Å; S541-E544 PolarHBondContact OG-N 3.04Å; S541-E544 VanDerWaalsContact OG-N 3.14Å; S541-E544 PolarHBondContact OG-OE2 2.8Å; S541-M545 WeakPolarHBondContact O-CB 3.23Å; S541-M545 PolarHBondContact O-N 3.44Å
542W88.8Confident82.1Confident67 Ų6782 Ų8225%0.25438%0.379SS..Hα-helixtrans-61.1-30.6175.5-69.597.9000112D520 W523 M524 C527 P536 M545 Y546D520-W542 WeakPolarHBondContact OD1-CA 3.38Å; D520-W542 WeakPolarHBondContact OD1-CB 3.32Å; D520-W542 PolarHBondContact OD1-N 3.35Å; D520-W542 VanDerWaalsContact OD2-CD1 3.27Å; D520-W542 PolarHBondContact OD2-N 3.43Å; D520-W542 VanDerWaalsContact OD2-N 3.07Å; W523-W542 HydrophobicContact CB-CB 3.95Å; M524-W542 HydrophobicContact CB-CB 4.08Å; M524-W542 HydrophobicContact CB-CD2 3.7Å; M524-W542 HydrophobicContact CB-CE3 4.28Å; M524-W542 HydrophobicContact CB-CG 3.58Å; M524-W542 HydrophobicContact CG-CD2 3.73Å; M524-W542 HydrophobicContact CG-CE3 4.15Å; M524-W542 HydrophobicContact CG-CG 4.13Å; M524-W542 HydrophobicContact CG-CH2 4.38Å; M524-W542 HydrophobicContact CG-CZ2 3.98Å; M524-W542 HydrophobicContact CG-CZ3 4.46Å; M524-W542 HydrophobicContact SD-CZ2 4.07Å; C527-W542 HydrophobicContact CB-CE3 3.77Å; C527-W542 HydrophobicContact CB-CZ3 4.13Å; C527-W542 PolarHBondContact SG-O 3.36Å; C527-W542 VanDerWaalsContact SG-O 3.38Å; P536-W542 HydrophobicContact CG-CD2 3.92Å; P536-W542 HydrophobicContact CG-CE3 3.78Å; P536-W542 HydrophobicContact CG-CH2 3.74Å; P536-W542 HydrophobicContact CG-CZ2 3.87Å; P536-W542 HydrophobicContact CG-CZ3 3.69Å; W542-M545 HydrophobicContact CE3-SD 3.62Å; W542-M545 HydrophobicContact CZ3-CE 4.49Å; W542-M545 HydrophobicContact CZ3-SD 3.75Å; W542-Y546 WeakPolarHBondContact O-CB 3.49Å; W542-Y546 PolarHBondContact O-N 3.15Å
543R89.1Confident82.7Confident49 Ų4981.3 Ų81.319%0.18537%0.372CS..Hα-helixtrans-61.2-51.6172-178176.6-173.4-86.6-2.3113.1E509 D520 W523 S541 Y546 L547E509-R543 IonicContact OE2-CZ 3.18Å; E509-R543 VanDerWaalsContact OE2-CZ 3.28Å; E509-R543 IonicContact OE2-NE 2.71Å; E509-R543 PolarHBondContact OE2-NE 2.92Å; E509-R543 IonicContact OE2-NH2 3.37Å; E509-R543 PolarHBondContact OE2-NH2 3.22Å; D520-R543 WeakPolarHBondContact OD1-CB 3.25Å; D520-R543 PolarHBondContact OD1-N 2.88Å; W523-R543 HydrophobicContact CB-CB 4.16Å; W523-R543 HydrophobicContact CD2-CB 4.13Å; W523-R543 HydrophobicContact CD2-CG 4.09Å; W523-R543 HydrophobicContact CG-CB 3.69Å; W523-R543 HydrophobicContact CG-CG 4.09Å; W523-R543 HydrophobicContact CZ2-CG 4.45Å; S541-R543 PolarHBondContact O-N 2.64Å; R543-Y546 PolarHBondContact O-N 2.87Å; R543-L547 HydrophobicContact CG-CD1 4.33Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.44Å
544E87.5Confident83.7Confident101 Ų10175.3 Ų75.347%0.47235%0.354SS..Hα-helixtrans-66.2-42.3178.5-72.2157.7144.700111.4E540 S541 Y546 L547 R548E540-E544 HydrophobicContact CG-CB 3.76Å; S541-E544 VanDerWaalsContact CB-OE2 3.31Å; S541-E544 WeakPolarHBondContact CB-OE2 3.14Å; S541-E544 PolarHBondContact N-OE2 3.14Å; S541-E544 PolarHBondContact O-N 3.26Å; S541-E544 WeakPolarHBondContact OG-CB 3.31Å; S541-E544 VanDerWaalsContact OG-CG 3.25Å; S541-E544 WeakPolarHBondContact OG-CG 3.46Å; S541-E544 PolarHBondContact OG-N 3.04Å; S541-E544 VanDerWaalsContact OG-N 3.14Å; S541-E544 PolarHBondContact OG-OE2 2.8Å; E544-Y546 VanDerWaalsContact C-N 3.31Å; E544-Y546 PolarHBondContact O-N 2.91Å; E544-L547 PolarHBondContact O-N 3.37Å; E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.49Å
545M87.8Confident84.7Confident1 Ų176.2 Ų76.21%0.00536%0.358CS..Hα-helixtrans-55.1-45172-177.1-151.8170.900111.6C527 E534 P536 E540 S541 W542 L549C527-M545 HydrophobicContact CB-SD 4.16Å; E534-M545 HydrophobicContact CB-CE 3.82Å; E534-M545 VanDerWaalsContact O-CE 3.28Å; E534-M545 WeakPolarHBondContact O-CE 3.47Å; P536-M545 HydrophobicContact CB-SD 4.32Å; P536-M545 HydrophobicContact CG-SD 3.76Å; E540-M545 HydrophobicContact CG-CB 4.16Å; E540-M545 WeakPolarHBondContact OE2-CB 3.44Å; S541-M545 WeakPolarHBondContact O-CB 3.23Å; S541-M545 PolarHBondContact O-N 3.44Å; W542-M545 HydrophobicContact CE3-SD 3.62Å; W542-M545 HydrophobicContact CZ3-CE 4.49Å; W542-M545 HydrophobicContact CZ3-SD 3.75Å; M545-L549 HydrophobicContact CE-CD1 3.72Å; M545-L549 HydrophobicContact CG-CD1 4.02Å; M545-L549 WeakPolarHBondContact O-CB 3.41Å; M545-L549 VanDerWaalsContact O-CG 3.32Å; M545-L549 WeakPolarHBondContact O-CG 3.43Å; M545-L549 PolarHBondContact O-N 2.99Å
546Y89.3Confident85.9Confident7 Ų779.5 Ų79.53%0.02736%0.357CS..Hα-helixtrans-63.2-49.9177.5-168.6-80.9000111.2P502 W523 H526 D530 F531 W542 R543 E544 R548 L549 H550P502-Y546 HydrophobicContact CB-CD1 4.28Å; P502-Y546 HydrophobicContact CB-CE1 3.59Å; P502-Y546 HydrophobicContact CB-CE2 4.37Å; P502-Y546 HydrophobicContact CG-CE1 4.09Å; P502-Y546 HydrophobicContact CG-CE2 4.1Å; P502-Y546 WeakPolarHBondContact CG-OH 3.45Å; W523-Y546 AromaticContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD1 3.97Å; W523-Y546 HydrophobicContact CE3-CD2 4.3Å; W523-Y546 AromaticContact CE3-CG 3.67Å; W523-Y546 HydrophobicContact CE3-CG 3.67Å; W523-Y546 AromaticContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD1 3.48Å; W523-Y546 VanDerWaalsContact CZ3-CD1 3.48Å; W523-Y546 HydrophobicContact CZ3-CD2 4.49Å; W523-Y546 HydrophobicContact CZ3-CE1 4.14Å; W523-Y546 AromaticContact CZ3-CG 3.7Å; W523-Y546 HydrophobicContact CZ3-CG 3.7Å; H526-Y546 HydrophobicContact CB-CD2 4.01Å; H526-Y546 HydrophobicContact CB-CE2 3.93Å; D530-Y546 HydrophobicContact CB-CE2 4.3Å; D530-Y546 PolarHBondContact OD2-OH 2.88Å; F531-Y546 HydrophobicContact CD2-CD2 4.14Å; F531-Y546 HydrophobicContact CD2-CE2 4.12Å; F531-Y546 AromaticContact CE2-CD2 3.91Å; F531-Y546 HydrophobicContact CE2-CD2 3.91Å; F531-Y546 AromaticContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CE2 3.68Å; F531-Y546 HydrophobicContact CE2-CG 4.43Å; W542-Y546 WeakPolarHBondContact O-CB 3.49Å; W542-Y546 PolarHBondContact O-N 3.15Å; R543-Y546 PolarHBondContact O-N 2.87Å; E544-Y546 VanDerWaalsContact C-N 3.31Å; E544-Y546 PolarHBondContact O-N 2.91Å; Y546-R548 PolarHBondContact O-N 2.95Å; Y546-L549 PolarHBondContact O-N 2.89Å; Y546-H550 HydrophobicContact CD1-CB 4.04Å; Y546-H550 HydrophobicContact CE1-CB 3.79Å; Y546-H550 AromaticContact CE1-CD2 3.92Å; Y546-H550 WeakPolarHBondContact O-CB 3.25Å; Y546-H550 PolarHBondContact O-N 3.48Å
547L89.3Confident86.8Confident37 Ų3782.5 Ų82.519%0.19437%0.371CS..Hα-helixtrans-60.2-47.7-176.7-69.9167.7000111.1Y506 R543 E544 L549 H550 D551Y506-L547 HydrophobicContact CD2-CD1 4.21Å; Y506-L547 HydrophobicContact CD2-CD2 3.89Å; Y506-L547 HydrophobicContact CE2-CD1 3.78Å; Y506-L547 HydrophobicContact CE2-CD2 3.84Å; Y506-L547 HydrophobicContact CE2-CG 4.48Å; Y506-L547 HydrophobicContact CG-CD2 4.48Å; R543-L547 HydrophobicContact CG-CD1 4.33Å; R543-L547 WeakPolarHBondContact O-CG 3.25Å; R543-L547 PolarHBondContact O-N 3.44Å; E544-L547 PolarHBondContact O-N 3.37Å; L547-L549 PolarHBondContact O-N 2.88Å; L547-H550 PolarHBondContact O-N 3.26Å; L547-D551 WeakPolarHBondContact O-CB 3.39Å; L547-D551 VanDerWaalsContact O-CG 3.25Å; L547-D551 PolarHBondContact O-N 3.16Å
548R90.6Very high87.8Confident85 Ų8585.6 Ų85.632%0.32138%0.377SS..Hα-helixtrans-55.8-50.2175.6177.9174.654.976.5-4.1112.3E540 E544 Y546 H550 D551 E552E540-R548 IonicContact OE1-CZ 2.68Å; E540-R548 IonicContact OE1-NE 2.75Å; E540-R548 PolarHBondContact OE1-NE 3Å; E540-R548 IonicContact OE1-NH2 2.68Å; E540-R548 PolarHBondContact OE1-NH2 2.87Å; E540-R548 VanDerWaalsContact OE1-NH2 3.13Å; E540-R548 IonicContact OE2-CZ 3.28Å; E540-R548 IonicContact OE2-NE 2.95Å; E540-R548 IonicContact OE2-NH2 2.7Å; E540-R548 PolarHBondContact OE2-NH2 2.75Å; E544-R548 WeakPolarHBondContact O-CB 3.43Å; E544-R548 PolarHBondContact O-N 3.49Å; Y546-R548 PolarHBondContact O-N 2.95Å; R548-H550 VanDerWaalsContact C-N 3.34Å; R548-H550 PolarHBondContact O-N 3.48Å; R548-D551 PolarHBondContact O-N 2.77Å; R548-E552 IonicContact NH1-OE1 3.87Å; R548-E552 PolarHBondContact NH1-OE1 3.34Å; R548-E552 WeakPolarHBondContact O-CB 3.09Å; R548-E552 WeakPolarHBondContact O-CG 3.39Å; R548-E552 PolarHBondContact O-N 3.01Å
549L87.1Confident89.2Confident6 Ų682.9 Ų82.93%0.03137%0.368CS..Hα-helixtrans-73-26.9-178-66.3173.6000113.3F531 E534 M545 Y546 L547 R553F531-L549 HydrophobicContact CB-CD1 4.05Å; F531-L549 HydrophobicContact CD1-CB 3.97Å; F531-L549 HydrophobicContact CD1-CD1 4.25Å; F531-L549 HydrophobicContact CD2-CB 4.06Å; F531-L549 HydrophobicContact CD2-CD1 4.22Å; F531-L549 HydrophobicContact CE1-CB 3.71Å; F531-L549 HydrophobicContact CE2-CB 3.81Å; F531-L549 HydrophobicContact CG-CB 4.14Å; F531-L549 HydrophobicContact CG-CD1 3.93Å; F531-L549 HydrophobicContact CZ-CB 3.63Å; F531-L549 WeakPolarHBondContact CZ-O 3.48Å; E534-L549 HydrophobicContact CB-CD1 3.71Å; E534-L549 HydrophobicContact CB-CD2 4.48Å; E534-L549 HydrophobicContact CG-CD1 4.11Å; E534-L549 HydrophobicContact CG-CD2 3.96Å; M545-L549 HydrophobicContact CE-CD1 3.72Å; M545-L549 HydrophobicContact CG-CD1 4.02Å; M545-L549 WeakPolarHBondContact O-CB 3.41Å; M545-L549 VanDerWaalsContact O-CG 3.32Å; M545-L549 WeakPolarHBondContact O-CG 3.43Å; M545-L549 PolarHBondContact O-N 2.99Å; Y546-L549 PolarHBondContact O-N 2.89Å; L547-L549 PolarHBondContact O-N 2.88Å; L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.37Å; L549-R553 PolarHBondContact O-N 3.23Å
550H87.9Confident90.4Very high34 Ų3477.4 Ų77.416%0.15735%0.347CS..Hα-helixtrans-68-49.5170.9-178.5-87.6000111Y546 L547 R548 R553 E554Y546-H550 HydrophobicContact CD1-CB 4.04Å; Y546-H550 HydrophobicContact CE1-CB 3.79Å; Y546-H550 AromaticContact CE1-CD2 3.92Å; Y546-H550 WeakPolarHBondContact O-CB 3.25Å; Y546-H550 PolarHBondContact O-N 3.48Å; L547-H550 PolarHBondContact O-N 3.26Å; R548-H550 VanDerWaalsContact C-N 3.34Å; R548-H550 PolarHBondContact O-N 3.48Å; H550-R553 CarbonylContact O-C 3.58Å; H550-R553 WeakPolarHBondContact O-CA 3.41Å; H550-R553 WeakPolarHBondContact O-CB 3.27Å; H550-R553 PolarHBondContact O-N 2.87Å; H550-E554 VanDerWaalsContact CE1-CG 3.48Å; H550-E554 WeakPolarHBondContact CE1-CG 3.31Å; H550-E554 IonicContact CE1-OE2 3.7Å; H550-E554 PolarHBondContact O-N 3.05Å
551D89Confident91Very high86 Ų8679.4 Ų79.446%0.4636%0.362SS..Hα-helixtrans-67.5-43-178-67.9-6.9000111L547 R548 R553 E554 E555L547-D551 WeakPolarHBondContact O-CB 3.39Å; L547-D551 VanDerWaalsContact O-CG 3.25Å; L547-D551 PolarHBondContact O-N 3.16Å; R548-D551 PolarHBondContact O-N 2.77Å; D551-R553 PolarHBondContact O-N 3.17Å; D551-E554 PolarHBondContact O-N 3.18Å; D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 WeakPolarHBondContact O-CG 3.46Å; D551-E555 PolarHBondContact O-N 3.28Å
552E91.4Very high91.3Very high55 Ų5583.8 Ų83.826%0.25738%0.379SS..Hα-helixtrans-53.2-37.3169.5-79.9-176.9-134.400112.4R548 R556R548-E552 IonicContact NH1-OE1 3.87Å; R548-E552 PolarHBondContact NH1-OE1 3.34Å; R548-E552 WeakPolarHBondContact O-CB 3.09Å; R548-E552 WeakPolarHBondContact O-CG 3.39Å; R548-E552 PolarHBondContact O-N 3.01Å; E552-R556 WeakPolarHBondContact O-CB 3.48Å; E552-R556 VanDerWaalsContact O-CD 3.27Å; E552-R556 WeakPolarHBondContact O-CD 3.32Å; E552-R556 WeakPolarHBondContact O-CG 3.46Å; E552-R556 PolarHBondContact O-N 2.81Å; E552-R556 IonicContact OE2-CZ 3.77Å; E552-R556 IonicContact OE2-NH1 2.77Å; E552-R556 PolarHBondContact OE2-NH1 3.27Å; E552-R556 IonicContact OE2-NH2 3.09Å; E552-R556 PolarHBondContact OE2-NH2 3.32Å
553R91.3Very high91.7Very high147 Ų14785.5 Ų85.556%0.55539%0.393SS*.Hα-helixtrans-76.1-39.5-179.7175.7-177.1171.1-156.8-7111.7L549 H550 D551 L557L549-R553 VanDerWaalsContact O-CB 3.29Å; L549-R553 WeakPolarHBondContact O-CB 3.37Å; L549-R553 PolarHBondContact O-N 3.23Å; H550-R553 CarbonylContact O-C 3.58Å; H550-R553 WeakPolarHBondContact O-CA 3.41Å; H550-R553 WeakPolarHBondContact O-CB 3.27Å; H550-R553 PolarHBondContact O-N 2.87Å; D551-R553 PolarHBondContact O-N 3.17Å; R553-L557 WeakPolarHBondContact O-CB 3.44Å; R553-L557 PolarHBondContact O-N 3.49Å
554E91.1Very high91.9Very high107 Ų10787.5 Ų87.550%0.541%0.407SS..Hα-helixtrans-63.9-43.1172.2-71.8-115.685.800111.2H550 D551 L557 R558H550-E554 VanDerWaalsContact CE1-CG 3.48Å; H550-E554 WeakPolarHBondContact CE1-CG 3.31Å; H550-E554 IonicContact CE1-OE2 3.7Å; H550-E554 PolarHBondContact O-N 3.05Å; D551-E554 PolarHBondContact O-N 3.18Å; E554-L557 CarbonylContact O-C 3.59Å; E554-L557 PolarHBondContact O-N 3.38Å; E554-R558 VanDerWaalsContact O-CB 3.26Å; E554-R558 WeakPolarHBondContact O-CB 3.42Å; E554-R558 PolarHBondContact O-N 3.18Å
555E92.9Very high92.2Very high126 Ų12686.4 Ų86.459%0.58941%0.41SS*.Hα-helixtrans-62.1-46.7174.7-73.7-157.6145.500112D551 L557 R558 L559D551-E555 WeakPolarHBondContact O-CB 3.42Å; D551-E555 WeakPolarHBondContact O-CG 3.46Å; D551-E555 PolarHBondContact O-N 3.28Å; E555-L557 VanDerWaalsContact C-N 3.27Å; E555-L557 PolarHBondContact O-N 3.29Å; E555-R558 WeakPolarHBondContact O-CB 3.43Å; E555-R558 PolarHBondContact O-N 3.38Å; E555-R558 VanDerWaalsContact O-N 3.16Å; E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å
556R93.3Very high92.4Very high153 Ų15388.9 Ų88.958%0.57743%0.427SS*.Hα-helixtrans-57.7-40174.2-74.2164.5-175.9137.67111.6E552 L560E552-R556 WeakPolarHBondContact O-CB 3.48Å; E552-R556 VanDerWaalsContact O-CD 3.27Å; E552-R556 WeakPolarHBondContact O-CD 3.32Å; E552-R556 WeakPolarHBondContact O-CG 3.46Å; E552-R556 PolarHBondContact O-N 2.81Å; E552-R556 IonicContact OE2-CZ 3.77Å; E552-R556 IonicContact OE2-NH1 2.77Å; E552-R556 PolarHBondContact OE2-NH1 3.27Å; E552-R556 IonicContact OE2-NH2 3.09Å; E552-R556 PolarHBondContact OE2-NH2 3.32Å; R556-L560 VanDerWaalsContact O-CB 3.27Å; R556-L560 WeakPolarHBondContact O-CB 3.37Å; R556-L560 PolarHBondContact O-N 3.5Å
557L94.1Very high92.4Very high98 Ų9890.4 Ų90.451%0.51344%0.442SS..Hα-helixtrans-69.9-39.5175.6-179.759.6000112.5R553 E554 E555 L560 T561R553-L557 WeakPolarHBondContact O-CB 3.44Å; R553-L557 PolarHBondContact O-N 3.49Å; E554-L557 CarbonylContact O-C 3.59Å; E554-L557 PolarHBondContact O-N 3.38Å; E555-L557 VanDerWaalsContact C-N 3.27Å; E555-L557 PolarHBondContact O-N 3.29Å; L557-L560 PolarHBondContact O-N 2.95Å; L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.49Å; L557-T561 PolarHBondContact O-N 2.83Å; L557-T561 PolarHBondContact O-OG1 3.36Å
558R94.8Very high92.2Very high195 Ų19594.7 Ų94.774%0.73646%0.46SS*.Hα-helixtrans-64.3-47.9176.9-176.6-177.1-178.7118.1-3.9111.1E554 E555 T561 Q562E554-R558 VanDerWaalsContact O-CB 3.26Å; E554-R558 WeakPolarHBondContact O-CB 3.42Å; E554-R558 PolarHBondContact O-N 3.18Å; E555-R558 WeakPolarHBondContact O-CB 3.43Å; E555-R558 PolarHBondContact O-N 3.38Å; E555-R558 VanDerWaalsContact O-N 3.16Å; R558-T561 PolarHBondContact O-N 3.44Å; R558-Q562 WeakPolarHBondContact O-CB 3.32Å; R558-Q562 PolarHBondContact O-N 2.83Å
559L95.8Very high91.9Very high103 Ų10394.3 Ų94.354%0.53948%0.475SS..Hα-helixtrans-62.9-43.3175.5-71170.3000111.5E555 T561 Q562 N563E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 3.29Å; E555-L559 PolarHBondContact O-N 3.4Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.84Å; L559-Q562 PolarHBondContact O-N 2.82Å; L559-N563 VanDerWaalsContact O-CB 3.24Å; L559-N563 WeakPolarHBondContact O-CB 3.49Å; L559-N563 PolarHBondContact O-N 2.81Å
560L95.9Very high91.6Very high95 Ų95100.1 Ų100.150%0.49751%0.507SS..Hα-helixtrans-60.8-43.6173.6178.260.1000111.6R556 L557 N563 I564R556-L560 VanDerWaalsContact O-CB 3.27Å; R556-L560 WeakPolarHBondContact O-CB 3.37Å; R556-L560 PolarHBondContact O-N 3.5Å; L557-L560 PolarHBondContact O-N 2.95Å; L560-N563 PolarHBondContact O-N 3.28Å; L560-I564 HydrophobicContact CD1-CD1 3.96Å; L560-I564 HydrophobicContact CD1-CG1 4.26Å; L560-I564 HydrophobicContact CG-CD1 3.92Å; L560-I564 WeakPolarHBondContact O-CB 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 2.94Å
561T95.3Very high91.4Very high81 Ų81103.9 Ų103.950%0.49752%0.522SS..Hα-helixtrans-65.6-41.1178.2-59.30000111.6L557 R558 L559 I564 S565L557-T561 VanDerWaalsContact O-CB 3.31Å; L557-T561 WeakPolarHBondContact O-CB 3.49Å; L557-T561 PolarHBondContact O-N 2.83Å; L557-T561 PolarHBondContact O-OG1 3.36Å; R558-T561 PolarHBondContact O-N 3.44Å; L559-T561 VanDerWaalsContact C-N 3.35Å; L559-T561 PolarHBondContact O-N 2.84Å; T561-I564 PolarHBondContact O-N 3.29Å; T561-S565 VanDerWaalsContact O-CB 3.27Å; T561-S565 WeakPolarHBondContact O-CB 3.26Å; T561-S565 PolarHBondContact O-N 2.87Å
562Q95.7Very high90.8Very high126 Ų126105.6 Ų105.659%0.58954%0.538SS*.Hα-helixtrans-64.9-40.9174.8-169.4-174.728.900111.8R558 L559 S565 S566R558-Q562 WeakPolarHBondContact O-CB 3.32Å; R558-Q562 PolarHBondContact O-N 2.83Å; L559-Q562 PolarHBondContact O-N 2.82Å; Q562-S565 PolarHBondContact O-N 3.42Å; Q562-S566 WeakPolarHBondContact O-CB 3.38Å; Q562-S566 PolarHBondContact O-N 2.96Å; Q562-S566 PolarHBondContact O-OG 3.04Å
563N96.3Very high89.7Confident103 Ų103111.1 Ų111.155%0.55156%0.561SS**Hα-helixtrans-66.4-44.6176.2-172-12.2000111.4L559 L560 S565 S566 A567L559-N563 VanDerWaalsContact O-CB 3.24Å; L559-N563 WeakPolarHBondContact O-CB 3.49Å; L559-N563 PolarHBondContact O-N 2.81Å; L560-N563 PolarHBondContact O-N 3.28Å; N563-S565 VanDerWaalsContact C-N 3.33Å; N563-S565 PolarHBondContact O-N 2.93Å; N563-S566 PolarHBondContact O-N 3.13Å; N563-S566 PolarHBondContact O-OG 3.35Å; N563-A567 WeakPolarHBondContact O-CB 3.35Å; N563-A567 PolarHBondContact O-N 3.03Å
564I94Very high88.7Confident92 Ų92107.5 Ų107.547%0.47257%0.57SS.*Hα-helixtrans-60.1-44.8172.5-69.5165.8000110.6L560 T561 A567 H568L560-I564 HydrophobicContact CD1-CD1 3.96Å; L560-I564 HydrophobicContact CD1-CG1 4.26Å; L560-I564 HydrophobicContact CG-CD1 3.92Å; L560-I564 WeakPolarHBondContact O-CB 3.43Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.41Å; L560-I564 PolarHBondContact O-N 2.94Å; T561-I564 PolarHBondContact O-N 3.29Å; I564-A567 PolarHBondContact O-N 3.41Å; I564-H568 WeakPolarHBondContact O-CB 3.44Å; I564-H568 PolarHBondContact O-CD2 2.68Å; I564-H568 PolarHBondContact O-N 3.16Å
565S94.3Very high87.5Confident78 Ų78114.1 Ų114.155%0.54559%0.59SS.*Hα-helixtrans-61.3-50178.3-173.50000111.9T561 Q562 N563 H568 A569T561-S565 VanDerWaalsContact O-CB 3.27Å; T561-S565 WeakPolarHBondContact O-CB 3.26Å; T561-S565 PolarHBondContact O-N 2.87Å; Q562-S565 PolarHBondContact O-N 3.42Å; N563-S565 VanDerWaalsContact C-N 3.33Å; N563-S565 PolarHBondContact O-N 2.93Å; S565-H568 CarbonylContact O-C 3.57Å; S565-H568 PolarHBondContact O-N 3.13Å; S565-A569 PolarHBondContact O-N 2.93Å
566S90.8Very high86Confident52 Ų52114.2 Ų114.236%0.36459%0.591SS.*Hα-helixtrans-67-39178.972.40000112.1Q562 N563 H568 A569 N570Q562-S566 WeakPolarHBondContact O-CB 3.38Å; Q562-S566 PolarHBondContact O-N 2.96Å; Q562-S566 PolarHBondContact O-OG 3.04Å; N563-S566 PolarHBondContact O-N 3.13Å; N563-S566 PolarHBondContact O-OG 3.35Å; S566-H568 PolarHBondContact O-N 2.68Å; S566-A569 PolarHBondContact O-N 3.09Å; S566-N570 VanDerWaalsContact O-CB 3.23Å; S566-N570 WeakPolarHBondContact O-CB 3.45Å; S566-N570 PolarHBondContact O-N 3.19Å; S566-N570 PolarHBondContact O-ND2 2.73Å
567A89.2Confident84.7Confident40 Ų40112.8 Ų112.833%0.33160%0.599SS.*Hα-helixtrans-69.1-11.7172.600000113.6N563 I564 K571N563-A567 WeakPolarHBondContact O-CB 3.35Å; N563-A567 PolarHBondContact O-N 3.03Å; I564-A567 PolarHBondContact O-N 3.41Å; A567-K571 WeakPolarHBondContact O-CD 3.36Å; A567-K571 VanDerWaalsContact O-CG 3.29Å; A567-K571 WeakPolarHBondContact O-CG 3.32Å; A567-K571 PolarHBondContact O-NZ 2.83Å
568H84.8Confident83.4Confident126 Ų126117 Ų11758%0.58361%0.613SS**Hα-helixtrans-97.1-34170.3-85.3-115.4000112.4I564 S565 S566 K571I564-H568 WeakPolarHBondContact O-CB 3.44Å; I564-H568 PolarHBondContact O-CD2 2.68Å; I564-H568 PolarHBondContact O-N 3.16Å; S565-H568 CarbonylContact O-C 3.57Å; S565-H568 PolarHBondContact O-N 3.13Å; S566-H568 PolarHBondContact O-N 2.68Å; H568-K571 PolarHBondContact CD2-NZ 3.27Å; H568-K571 VanDerWaalsContact CD2-NZ 3.27Å; H568-K571 PolarHBondContact NE2-NZ 3.17Å; H568-K571 VanDerWaalsContact NE2-NZ 3.17Å
569A86.2Confident81.3Confident77 Ų77115.1 Ų115.164%0.63662%0.615SS**Hα-helixtrans-68.8-43.5172.600000112.3S565 S566 K571S565-A569 PolarHBondContact O-N 2.93Å; S566-A569 PolarHBondContact O-N 3.09Å; A569-K571 VanDerWaalsContact C-N 3.29Å; A569-K571 PolarHBondContact O-N 3.1Å
570N80.8Confident79.2Confident129 Ų129115 Ų11569%0.6963%0.628SS**SBendtrans-78.9-5.5-179.4-67.7-30.6000113.7S566 P572S566-N570 VanDerWaalsContact O-CB 3.23Å; S566-N570 WeakPolarHBondContact O-CB 3.45Å; S566-N570 PolarHBondContact O-N 3.19Å; S566-N570 PolarHBondContact O-ND2 2.73Å; N570-P572 VanDerWaalsContact O-CD 3.32Å; N570-P572 WeakPolarHBondContact O-CD 3.31Å
571K82.7Confident77.5Confident113 Ų113116.5 Ų116.549%0.49163%0.631SS.*SBendtrans-65.2116.2173.4-95.5172.9-172.196.70108.8A567 H568 A569 K573A567-K571 WeakPolarHBondContact O-CD 3.36Å; A567-K571 VanDerWaalsContact O-CG 3.29Å; A567-K571 WeakPolarHBondContact O-CG 3.32Å; A567-K571 PolarHBondContact O-NZ 2.83Å; H568-K571 PolarHBondContact CD2-NZ 3.27Å; H568-K571 VanDerWaalsContact CD2-NZ 3.27Å; H568-K571 PolarHBondContact NE2-NZ 3.17Å; H568-K571 VanDerWaalsContact NE2-NZ 3.17Å; A569-K571 VanDerWaalsContact C-N 3.29Å; A569-K571 PolarHBondContact O-N 3.1Å; K571-K573 PolarHBondContact O-N 2.83Å; K571-K573 VanDerWaalsContact O-N 3.15Å
572P76.3Confident75.8Confident121 Ų121118.7 Ų118.779%0.78664%0.644SS**  trans-61.2123.2-175.624-33.5000109.8N570 G574N570-P572 VanDerWaalsContact O-CD 3.32Å; N570-P572 WeakPolarHBondContact O-CD 3.31Å; P572-G574 WeakPolarHBondContact O-CA 3.42Å; P572-G574 PolarHBondContact O-N 3.17Å
573K69.3Low74.1Confident171 Ų171120.5 Ų120.574%0.74366%0.658SS**  trans-51.1100.3-172.7-68.2177.6-179.5175.40110.6K571 R575 Q576K571-K573 PolarHBondContact O-N 2.83Å; K571-K573 VanDerWaalsContact O-N 3.15Å; K573-R575 PolarHBondContact O-N 2.98Å; K573-Q576 HydrophobicContact CB-CG 4.35Å
574G68.6Low72.3Confident72 Ų72118.1 Ų118.174%0.74265%0.649SS**THydrogen-bonded Turntrans-55.9115.9-157.100000114P572 Q576P572-G574 WeakPolarHBondContact O-CA 3.42Å; P572-G574 PolarHBondContact O-N 3.17Å; G574-Q576 VanDerWaalsContact C-N 3.33Å; G574-Q576 PolarHBondContact O-N 3.25Å; G574-Q576 VanDerWaalsContact O-N 3.1Å
575R66Low70.9Confident246 Ų246120.4 Ų120.493%0.92867%0.667SS**THydrogen-bonded Turntrans27.563.5177.4-156.9-177.7-159.6-149.25113.7K573 V577K573-R575 PolarHBondContact O-N 2.98Å; R575-V577 PolarHBondContact O-N 3.06Å; R575-V577 VanDerWaalsContact O-N 3.09Å
576Q62.7Low69.5Low127 Ų127120.3 Ų120.359%0.59367%0.671SS**  trans-48.5120.2174.2-65.2-177.912.100110K573 G574 K578K573-Q576 HydrophobicContact CB-CG 4.35Å; G574-Q576 VanDerWaalsContact C-N 3.33Å; G574-Q576 PolarHBondContact O-N 3.25Å; G574-Q576 VanDerWaalsContact O-N 3.1Å; Q576-K578 VanDerWaalsContact C-N 3.28Å; Q576-K578 PolarHBondContact O-N 3.49Å
577V65.7Low68.5Low124 Ų124126.5 Ų126.575%0.75269%0.691SS**  trans-72.690.3174179.70000107.1R575 M579R575-V577 PolarHBondContact O-N 3.06Å; R575-V577 VanDerWaalsContact O-N 3.09Å; V577-M579 HydrophobicContact CG1-SD 4.14Å; V577-M579 PolarHBondContact O-N 2.87Å
578K65.6Low67.4Low185 Ų185127.3 Ų127.380%0.80469%0.693SS**  trans-61.6101.4169.9-71.5-173.1-179.6-171.60107.7Q576 A580Q576-K578 VanDerWaalsContact C-N 3.28Å; Q576-K578 PolarHBondContact O-N 3.49Å; K578-A580 VanDerWaalsContact C-N 3.29Å; K578-A580 PolarHBondContact O-N 3.35Å
579M52.6Low67Low157 Ų157125.7 Ų125.777%0.77369%0.694SS**  trans-68.789.9173.1-69.8-64.9-6900108.3V577 F581V577-M579 HydrophobicContact CG1-SD 4.14Å; V577-M579 PolarHBondContact O-N 2.87Å; M579-F581 PolarHBondContact O-N 3.02Å
580A51.8Low66.3Low99 Ų99132 Ų13282%0.81870%0.701SS**  trans-71.879.8173.900000109.5K578K578-A580 VanDerWaalsContact C-N 3.29Å; K578-A580 PolarHBondContact O-N 3.35Å
581F59.7Low66Low128 Ų128129.8 Ų129.856%0.56169%0.689SS**  trans-120.267.4173.8-156-89.3000109.9M579 S584M579-F581 PolarHBondContact O-N 3.02Å; F581-S584 WeakPolarHBondContact CE2-O 3.39Å; F581-S584 WeakPolarHBondContact CE2-OG 3.28Å; F581-S584 WeakPolarHBondContact CZ-O 3.47Å
582V58.8Low65.7Low126 Ų126127.2 Ų127.276%0.76468%0.683SS**SBendtrans-124.5110.2168.4-1760000105.1
583N60.5Low65.7Low165 Ų165128 Ų12888%0.88267%0.67SS**SBendtrans68.149.7176.6-51.1-4.5000116.5
584S58.8Low66.1Low53 Ų53126.1 Ų126.137%0.37166%0.659SS.*  trans-127.5122.7153.176.20000110.4F581 A586F581-S584 WeakPolarHBondContact CE2-O 3.39Å; F581-S584 WeakPolarHBondContact CE2-OG 3.28Å; F581-S584 WeakPolarHBondContact CZ-O 3.47Å; S584-A586 PolarHBondContact O-N 2.75Å
585V64.6Low66.6Low140 Ų140130.4 Ų130.485%0.84865%0.652SS**  trans-54.2138.7171.6178.10000109.2K587V585-K587 PolarHBondContact O-N 3.33Å
586A63.6Low67.3Low76 Ų76121.8 Ų121.863%0.62862%0.622SS**  trans-56.5107.9-174.400000110.9S584S584-A586 PolarHBondContact O-N 2.75Å
587K70Confident68Low181 Ų181120.5 Ų120.579%0.78762%0.617SS**PPolyproline II helixtrans-62.8123-178.5-69.8179.9-179.5176.20108.8V585V585-K587 PolarHBondContact O-N 3.33Å
588P67.5Low68.5Low58 Ų58122.7 Ų122.738%0.37762%0.616SS.*PPolyproline II helixtrans-60.5149.6-178.924.2-33.4000110.4V592P588-V592 HydrophobicContact CB-CB 4.11Å; P588-V592 HydrophobicContact CB-CG1 3.88Å
589P75.8Confident68.9Low91 Ų91120.7 Ų120.759%0.59161%0.608SS**PPolyproline II helixtrans-51.1150-176.8-29.335.6000113.1D591 V592 R593P589-D591 PolarHBondContact O-N 3.15Å; P589-V592 HydrophobicContact CB-CG2 4.26Å; P589-V592 HydrophobicContact CG-CG2 4.39Å; P589-V592 WeakPolarHBondContact O-CA 3.29Å; P589-V592 WeakPolarHBondContact O-CB 3.12Å; P589-V592 PolarHBondContact O-N 3.16Å; P589-R593 PolarHBondContact O-N 3.28Å
590R71.9Confident69.7Low209 Ų209115.9 Ų115.979%0.78960%0.598SS**Hα-helixtrans-54.7-31.9-170.1-168.6173.9-177.1157.80.2113.7R594R590-R594 WeakPolarHBondContact O-CB 3.27Å; R590-R594 PolarHBondContact O-N 2.86Å
591D73.8Confident70.4Confident83 Ų83115.7 Ų115.744%0.44459%0.587SS.*Hα-helixtrans-76.2-32.9175.3-60.2-78.9000113.7P589 R594 R595P589-D591 PolarHBondContact O-N 3.15Å; D591-R594 IonicContact OD1-CZ 3.93Å; D591-R594 IonicContact OD1-NH1 2.99Å; D591-R594 PolarHBondContact OD1-NH1 2.84Å; D591-R594 IonicContact OD1-NH2 2.79Å; D591-R594 PolarHBondContact OD1-NH2 2.76Å; D591-R595 WeakPolarHBondContact O-CB 3.38Å; D591-R595 VanDerWaalsContact O-CG 3.23Å; D591-R595 WeakPolarHBondContact O-CG 3.32Å; D591-R595 PolarHBondContact O-N 2.83Å
592V76Confident70.4Confident60 Ų60113.9 Ų113.936%0.36459%0.59SS.*Hα-helixtrans-67.7-46171-179.30000109.5P588 P589 R594 R595 Q596P588-V592 HydrophobicContact CB-CB 4.11Å; P588-V592 HydrophobicContact CB-CG1 3.88Å; P589-V592 HydrophobicContact CB-CG2 4.26Å; P589-V592 HydrophobicContact CG-CG2 4.39Å; P589-V592 WeakPolarHBondContact O-CA 3.29Å; P589-V592 WeakPolarHBondContact O-CB 3.12Å; P589-V592 PolarHBondContact O-N 3.16Å; V592-R594 PolarHBondContact O-N 2.69Å; V592-R595 WeakPolarHBondContact O-CB 3.27Å; V592-R595 PolarHBondContact O-N 2.84Å; V592-R595 VanDerWaalsContact O-N 3.1Å; V592-Q596 WeakPolarHBondContact O-CG 3.23Å; V592-Q596 PolarHBondContact O-N 2.92Å
593R77.1Confident70Confident136 Ų136113 Ų11351%0.51359%0.59SS.*Hα-helixtrans-58.9-46.4175.4-154.9-163.381168.911.7111.7P589 R595 Q596 E597P589-R593 PolarHBondContact O-N 3.28Å; R593-R595 VanDerWaalsContact C-N 3.26Å; R593-R595 PolarHBondContact O-N 3.28Å; R593-Q596 PolarHBondContact O-N 2.97Å; R593-E597 IonicContact CZ-OE1 3.45Å; R593-E597 IonicContact NE-OE1 2.76Å; R593-E597 PolarHBondContact NE-OE1 3.08Å; R593-E597 IonicContact NE-OE2 2.69Å; R593-E597 IonicContact NH2-OE1 3.74Å; R593-E597 PolarHBondContact NH2-OE1 3.4Å; R593-E597 IonicContact NH2-OE2 3.12Å; R593-E597 WeakPolarHBondContact O-CB 3.27Å; R593-E597 VanDerWaalsContact O-CG 3.25Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.3Å
594R77.8Confident69.4Low133 Ų133110.2 Ų110.250%0.50258%0.583SS.*Hα-helixtrans-63.2-29.4176-170174.971.9-97.33113.1R590 D591 V592 E597 K598R590-R594 WeakPolarHBondContact O-CB 3.27Å; R590-R594 PolarHBondContact O-N 2.86Å; D591-R594 IonicContact OD1-CZ 3.93Å; D591-R594 IonicContact OD1-NH1 2.99Å; D591-R594 PolarHBondContact OD1-NH1 2.84Å; D591-R594 IonicContact OD1-NH2 2.79Å; D591-R594 PolarHBondContact OD1-NH2 2.76Å; V592-R594 PolarHBondContact O-N 2.69Å; R594-E597 WeakPolarHBondContact CA-OE2 3.24Å; R594-K598 VanDerWaalsContact O-CB 3.32Å; R594-K598 WeakPolarHBondContact O-CB 3.13Å; R594-K598 PolarHBondContact O-N 3.45Å; R594-K598 VanDerWaalsContact O-N 3.13Å
595R79.1Confident68.7Low162 Ų162112.3 Ų112.361%0.61160%0.598SS**Hα-helixtrans-74.8-44.2172.8-75.5170.7-177.9178.21111.5D591 V592 R593 E597 K598 F599D591-R595 WeakPolarHBondContact O-CB 3.38Å; D591-R595 VanDerWaalsContact O-CG 3.23Å; D591-R595 WeakPolarHBondContact O-CG 3.32Å; D591-R595 PolarHBondContact O-N 2.83Å; V592-R595 WeakPolarHBondContact O-CB 3.27Å; V592-R595 PolarHBondContact O-N 2.84Å; V592-R595 VanDerWaalsContact O-N 3.1Å; R593-R595 VanDerWaalsContact C-N 3.26Å; R593-R595 PolarHBondContact O-N 3.28Å; R595-E597 VanDerWaalsContact C-N 3.33Å; R595-E597 PolarHBondContact O-N 3.48Å; R595-K598 CarbonylContact O-C 3.59Å; R595-K598 PolarHBondContact O-N 3.16Å; R595-K598 VanDerWaalsContact O-N 3.08Å; R595-F599 HydrophobicContact CB-CD2 4.14Å; R595-F599 HydrophobicContact CB-CE2 4.3Å; R595-F599 HydrophobicContact CG-CE2 4.34Å; R595-F599 WeakPolarHBondContact O-CB 3.44Å; R595-F599 WeakPolarHBondContact O-CD2 3.43Å; R595-F599 PolarHBondContact O-N 2.94Å
596Q80.6Confident67.4Low64 Ų64111.7 Ų111.730%0.29960%0.6SS.*Hα-helixtrans-59.6-43.6174.6-70.6169.4-44.800111.4V592 R593 K598 F599 G600 T601V592-Q596 WeakPolarHBondContact O-CG 3.23Å; V592-Q596 PolarHBondContact O-N 2.92Å; R593-Q596 PolarHBondContact O-N 2.97Å; Q596-K598 VanDerWaalsContact C-N 3.33Å; Q596-K598 PolarHBondContact O-N 3.07Å; Q596-F599 PolarHBondContact O-N 3.13Å; Q596-G600 PolarHBondContact O-N 2.89Å; Q596-T601 PolarHBondContact O-N 3.32Å
597E76.4Confident66.3Low101 Ų101114 Ų11447%0.47261%0.611SS.*Hα-helixtrans-58.9-39.3171.6-72163.5175.800112.7R593 R594 R595R593-E597 IonicContact CZ-OE1 3.45Å; R593-E597 IonicContact NE-OE1 2.76Å; R593-E597 PolarHBondContact NE-OE1 3.08Å; R593-E597 IonicContact NE-OE2 2.69Å; R593-E597 IonicContact NH2-OE1 3.74Å; R593-E597 PolarHBondContact NH2-OE1 3.4Å; R593-E597 IonicContact NH2-OE2 3.12Å; R593-E597 WeakPolarHBondContact O-CB 3.27Å; R593-E597 VanDerWaalsContact O-CG 3.25Å; R593-E597 WeakPolarHBondContact O-CG 3.48Å; R593-E597 PolarHBondContact O-N 3.3Å; R594-E597 WeakPolarHBondContact CA-OE2 3.24Å; R595-E597 VanDerWaalsContact C-N 3.33Å; R595-E597 PolarHBondContact O-N 3.48Å
598K76.1Confident64.7Low169 Ų169109.4 Ų109.474%0.73561%0.607SS**Hα-helixtrans-78.4-28.6-179.9-175173.9179.8-176.80113.9R594 R595 Q596R594-K598 VanDerWaalsContact O-CB 3.32Å; R594-K598 WeakPolarHBondContact O-CB 3.13Å; R594-K598 PolarHBondContact O-N 3.45Å; R594-K598 VanDerWaalsContact O-N 3.13Å; R595-K598 CarbonylContact O-C 3.59Å; R595-K598 PolarHBondContact O-N 3.16Å; R595-K598 VanDerWaalsContact O-N 3.08Å; Q596-K598 VanDerWaalsContact C-N 3.33Å; Q596-K598 PolarHBondContact O-N 3.07Å
599F73.9Confident63.5Low144 Ų144112.4 Ų112.463%0.63263%0.629SS**Hα-helixtrans-107.46.2-175.6-64.5-62000113.6R595 Q596 T601R595-F599 HydrophobicContact CB-CD2 4.14Å; R595-F599 HydrophobicContact CB-CE2 4.3Å; R595-F599 HydrophobicContact CG-CE2 4.34Å; R595-F599 WeakPolarHBondContact O-CB 3.44Å; R595-F599 WeakPolarHBondContact O-CD2 3.43Å; R595-F599 PolarHBondContact O-N 2.94Å; Q596-F599 PolarHBondContact O-N 3.13Å; F599-T601 PolarHBondContact O-N 2.94Å; F599-T601 VanDerWaalsContact O-N 3.14Å
600G70.1Confident61.8Low56 Ų56115.3 Ų115.358%0.57765%0.646SS**THydrogen-bonded Turntrans71.71.2174.500000115.9Q596 S602Q596-G600 PolarHBondContact O-N 2.89Å; G600-S602 PolarHBondContact O-N 3.41Å
601T65.8Low60.2Low95 Ų95109.9 Ų109.958%0.58365%0.645SS**  trans-78.741-174.956.40000113.6Q596 F599Q596-T601 PolarHBondContact O-N 3.32Å; F599-T601 PolarHBondContact O-N 2.94Å; F599-T601 VanDerWaalsContact O-N 3.14Å
602S60.9Low58.4Low90 Ų90111 Ų11163%0.62967%0.666SS**  trans-126.660.5-178.565.30000112.1G600G600-S602 PolarHBondContact O-N 3.41Å
603S50.2Low56.5Low108 Ų108113 Ų11376%0.75569%0.688SS**  trans-138.1148.4170.755.30000108.2
604S46.8Very low54.7Low105 Ų105111.4 Ų111.473%0.73470%0.699SS**  cis-147.4-174.212.9580000113.2
605S44.7Very low53.1Low97 Ų97111.2 Ų111.268%0.67872%0.715SS**  trans60.189.815449.80000119.1
606S37.5Very low51Low128 Ų128110.7 Ų110.790%0.89572%0.722SS**  trans-154.951.9150.1-72.90000110.4A608S606-A608 PolarHBondContact O-N 2.96Å
607S40.9Very low49Very low124 Ų124117.2 Ų117.287%0.86775%0.75SS**  trans-86.989.8178.850.30000111.1
608A35.8Very low47.1Very low84 Ų84119.7 Ų119.769%0.69476%0.764SS**  trans-139.8106.717600000112.3S606S606-A608 PolarHBondContact O-N 2.96Å
609S41.6Very low45.1Very low121 Ų121122 Ų12285%0.84677%0.769SS**  trans22.9108.9149.8-51.40000119.8
610T39.9Very low43.3Very low153 Ų153121 Ų12194%0.93978%0.776SS**  trans-159.760.7146.76.50000111.4
611A38Very low41.4Very low95 Ų95122.4 Ų122.479%0.78578%0.783SS**  trans-103.3150.9161.400000109.2
612A36.4Very low39.7Very low107 Ų107123.7 Ų123.788%0.88480%0.796SS**  trans62.299.5-176.800000116.3
613A37Very low38.3Very low100 Ų100124.2 Ų124.283%0.82680%0.799SS**  trans-150.982.8158.900000109.9
614S39.5Very low37.3Very low104 Ų104126.9 Ų126.973%0.72781%0.805SS**  trans-63.9134.9173.2-50.70000110I616S614-I616 PolarHBondContact O-N 3.12Å
615P42.8Very low36.5Very low129 Ų129131.6 Ų131.684%0.83881%0.813SS**  trans-70.299.7178.827.5-33.5000110.7K617P615-K617 PolarHBondContact O-N 3.41Å; P615-K617 VanDerWaalsContact O-N 3.07Å
616I37Very low35.9Very low151 Ų151131.9 Ų131.977%0.77482%0.821SS**  trans-62.7109.5176.3-62.7175.6000108.9S614 I618S614-I616 PolarHBondContact O-N 3.12Å; I616-I618 HydrophobicContact CG2-CG1 4.16Å; I616-I618 PolarHBondContact O-N 3.48Å; I616-I618 VanDerWaalsContact O-N 3.13Å
617K37.3Very low35.6Very low201 Ų201129.6 Ų129.687%0.87482%0.818SS**  trans-87.380.7-177.2-163.4174.3-174.5179.80109.9P615 R619P615-K617 PolarHBondContact O-N 3.41Å; P615-K617 VanDerWaalsContact O-N 3.07Å; K617-R619 PolarHBondContact O-N 2.88Å
618I37.3Very low35.1Very low152 Ų152130.7 Ų130.778%0.77981%0.814SS**  trans-56.2121.6-179.3-58.6177.3000109.8I616I616-I618 HydrophobicContact CG2-CG1 4.16Å; I616-I618 PolarHBondContact O-N 3.48Å; I616-I618 VanDerWaalsContact O-N 3.13Å
619R34.1Very low34.9Very low218 Ų218130.9 Ų130.982%0.82381%0.81SS**  trans-118.9116175.3175.7-179.1-179.3173.41.4108.1K617K617-R619 PolarHBondContact O-N 2.88Å
620P34.8Very low34.5Very low122 Ų122129.6 Ų129.679%0.79280%0.801SS**  trans-69.6141.7165.230.5-32.8000109.4
621A30.4Very low34.2Very low86 Ų86132.8 Ų132.871%0.71180%0.796SS**  trans-152.590.8-175.200000113.3
622S30.8Very low34Very low123 Ų123133.3 Ų133.386%0.8679%0.794SS**  trans-172.1138.2157.652.80000106.9
623S32.2Very low33.8Very low100 Ų100133.9 Ų133.970%0.69979%0.791SS**  cis-148.3160.5-4.1500000108.6
624D29.1Very low33.5Very low165 Ų165134.6 Ų134.688%0.88279%0.79SS**  trans-174.2166.9133.4-91-16.9000110.7
625F30.2Very low33.3Very low203 Ų203134.3 Ų134.389%0.8979%0.788SS**  trans-107.3151.3-158.9-122-102.3000113.9
626A31.9Very low32.7Very low103 Ų103137 Ų13785%0.85179%0.789SS**  trans60.7146.8160.200000119.5
627G29.9Very low32.5Very low81 Ų81138.7 Ų138.784%0.83579%0.791SS**  trans158.569.6179.400000114.1
628D30.3Very low32.3Very low147 Ų147134.2 Ų134.279%0.78679%0.786SS**  trans-42.9156.6-176.9-179.638.3000118.8
629S32Very low32.1Very low88 Ų88132.5 Ų132.562%0.61579%0.787SS**  trans55.5134.3153.3-83.40000120.4
630S34.2Very low32.9Very low93 Ų93127.8 Ų127.865%0.6579%0.785SS**  cis-178.4160.432.1-128.50000113.3
631R34.1Very low32.7Very low221 Ų221127 Ų12783%0.83479%0.788SS**  trans71109.1149-68.2172.3-178.9-159.8-4.2121.9
632S32.1Very low32.7Very low105 Ų105126.6 Ų126.673%0.73479%0.792SS**  66.599.1121.9-56.80000119
633S32.1Very low32.7Very low119 Ų119125.4 Ų125.483%0.83278%0.784SS**  93.4107.861.267.30000113.8
634S31.1Very low32.7Very low116 Ų116125.5 Ų125.581%0.81179%0.785SS**  trans-119.6140.9164.155.90000109.5
635S35Very low32.9Very low97 Ų97128.3 Ų128.368%0.67878%0.783SS**  trans174.6114.4153.751.70000112.9
636H31.4Very low32.9Very low186 Ų186123.8 Ų123.886%0.86178%0.777SS**  trans-177150.3133.244.4-96.3000109.6
637F33.4Very low32.9Very low186 Ų186124.8 Ų124.882%0.81678%0.777SS**  cis177.6163.9-39.8-125.3-73.9000104.6
638S32.3Very low33.1Very low108 Ų108125.2 Ų125.276%0.75577%0.773SS**  trans77.9118.2160.9-53.40000120.1
639S32.7Very low34.1Very low115 Ų115123.5 Ų123.580%0.80477%0.77SS**  trans-89.7-166.8149.3-35.60000108.5
640P50.3Low34.8Very low120 Ų120125.6 Ų125.678%0.77978%0.781SS**  cis-153.4-175.53745-22.6000119.3
641A31.3Very low34.7Very low105 Ų105125 Ų12587%0.86879%0.789SS**  trans77.2150.4144.800000122
642G30.3Very low34.6Very low77 Ų77118.6 Ų118.679%0.79479%0.792SS**  trans118.9118.3173.400000115.6
643S31.4Very low34.4Very low99 Ų99117.5 Ų117.569%0.69280%0.798SS**  cis174.1103.2-38.9-179.20000108.6
644S31.6Very low34.4Very low101 Ų101116.1 Ų116.171%0.70680%0.802SS**  trans74.7164.2152.9-48.70000122.5
645R33Very low34.4Very low225 Ų225113.9 Ų113.985%0.84980%0.797SS**  trans78.3119.6162.8-48.8168.2-138.9-128.1-0.3114.8
646S30.9Very low34.3Very low108 Ų108115.7 Ų115.776%0.75580%0.804SS**  cis97.2114.317.9-53.80000116.4
647S32.1Very low34.5Very low124 Ų124112.7 Ų112.787%0.86780%0.799SS**  trans61.3148.5158.534.60000118.6
648A33.8Very low34.5Very low89 Ų89111.3 Ų111.374%0.73680%0.8SS**  cis-159.1-176.3-8.400000108.8
649P52Low34.9Very low112 Ų112112 Ų11273%0.72780%0.802SS**  trans-83.2155.5-169.436.3-35.5000113.8
650P46.4Very low35Very low132 Ų132109.9 Ų109.986%0.85780%0.798SS**  -91-172.680.8-25.338.7000115.6
651G31.9Very low35Very low79 Ų79115.4 Ų115.481%0.81480%0.804SS**  cis-174-147.211.900000113
652G30.8Very low35.4Very low87 Ų87119.2 Ų119.290%0.89780%0.804SS**  trans-151.4166.4178.300000113.9
653G29.6Very low36.4Very low83 Ų83124.4 Ų124.486%0.85680%0.804SS**  trans135.1116.6-178.100000112
654G31.4Very low37.2Very low89 Ų89125.1 Ų125.192%0.91881%0.807SS**  trans-87.4165.4-171.300000115.1
655G30.9Very low38.1Very low69 Ų69129.1 Ų129.171%0.71181%0.814SS**  trans178.536-176.300000121.2
656T32.6Very low38.9Very low135 Ų135124.9 Ų124.983%0.82881%0.813SS**  trans66.8161.3158.866.30000121.7
657V35Very low40.7Very low124 Ų124128.1 Ų128.175%0.75281%0.814SS**  trans52.988.5161.1-65.70000122.3
658N34.9Very low42.6Very low156 Ų156132.5 Ų132.583%0.83482%0.817SS**  -171.1136.6106.7-107.6-59.5000113.1G660N658-G660 PolarHBondContact O-N 3.33Å; N658-G660 VanDerWaalsContact O-N 3.1Å
659P40.4Very low44.5Very low122 Ų122132.5 Ų132.579%0.79280%0.804SS**  trans-8484.3-177.633.2-34.2000113R661P659-R661 PolarHBondContact O-N 3.21Å
660G35.4Very low45.8Very low71 Ų71129.6 Ų129.673%0.73279%0.789SS**  trans-59.1120.3170.800000112.4N658 E662N658-G660 PolarHBondContact O-N 3.33Å; N658-G660 VanDerWaalsContact O-N 3.1Å; G660-E662 VanDerWaalsContact C-N 3.34Å; G660-E662 PolarHBondContact O-N 3.07Å
661R50.2Low47.2Very low236 Ų236128.3 Ų128.389%0.89178%0.781SS**  trans-73.267.9-165.7-165.4-171.8-168.4-171.67.3114.6P659P659-R661 PolarHBondContact O-N 3.21Å
662E39.6Very low49Very low186 Ų186132 Ų13287%0.86978%0.778SS**  trans-62.2135169.9-75.9-144129.100112.1G660G660-E662 VanDerWaalsContact C-N 3.34Å; G660-E662 PolarHBondContact O-N 3.07Å
663K50.3Low51.1Low185 Ų185133 Ų13380%0.80476%0.761SS**  trans-92.4114.7171.1-67.1172.6-176.2171.10108.1Q665K663-Q665 PolarHBondContact O-N 3.46Å
664P48.8Very low53.5Low115 Ų115131.2 Ų131.275%0.74774%0.738SS**  trans-62.4135.1-179.725.3-33.8000110.7V666P664-V666 PolarHBondContact O-N 3.06Å
665Q51.1Low55.9Low184 Ų184135 Ų13586%0.8673%0.729SS**  trans-59.1114-179.2-67.5-175.70.400110.9K663 K667K663-Q665 PolarHBondContact O-N 3.46Å; Q665-K667 PolarHBondContact O-N 3.37Å
666V49.4Very low58.3Low137 Ų137136.1 Ų136.183%0.8372%0.722SS**  trans-71.491.5178.7-176.50000109.5P664 K668P664-V666 PolarHBondContact O-N 3.06Å; V666-K668 PolarHBondContact O-N 3.46Å
667K68.7Low60.6Low176 Ų176134 Ų13477%0.76571%0.705SS**  trans-54.6129.2168.4-64.2-179.9-178.5177.90108.2Q665 I669Q665-K667 PolarHBondContact O-N 3.37Å; K667-I669 PolarHBondContact O-N 2.95Å
668K70.8Confident62.8Low215 Ų215135.1 Ų135.194%0.93570%0.7SS**  trans-72.188.4-176.7-67.3-176.3179.3-178.90110.5V666V666-K668 PolarHBondContact O-N 3.46Å
669I74.9Confident64.7Low90 Ų90130.1 Ų130.146%0.46268%0.68SS.*  trans-72.9132178.6-64.5165.1000109.4K667 M673 A674 I677K667-I669 PolarHBondContact O-N 2.95Å; I669-M673 HydrophobicContact CG2-CB 3.54Å; I669-A674 HydrophobicContact CG2-CB 4.09Å; I669-I677 HydrophobicContact CD1-CD1 4.11Å; I669-I677 HydrophobicContact CG2-CD1 4.31Å
670A78.3Confident66.4Low50 Ų50130.8 Ų130.841%0.41367%0.671SS.*  trans-64.3147.1177.200000111.7M672 M673 A674A670-M672 VanDerWaalsContact C-N 3.26Å; A670-M672 PolarHBondContact O-N 3.06Å; A670-M672 VanDerWaalsContact O-N 3.07Å; A670-M673 PolarHBondContact O-N 3.39Å; A670-A674 PolarHBondContact O-N 3.47Å
671P75.8Confident68.5Low105 Ų105135 Ų13568%0.68267%0.669SS**Hα-helixtrans-54.1-36.3-171.6-29.535.7000115.4A674 K675P671-A674 PolarHBondContact O-N 3.42Å; P671-K675 PolarHBondContact O-N 3.03Å; P671-K675 VanDerWaalsContact O-N 3.08Å
672M70.1Confident69.4Low156 Ų156128.9 Ų128.977%0.76865%0.654SS**Hα-helixtrans-59-50.7173.3-71.2-84.3-81.400112.1A670 A674 K675 T676A670-M672 VanDerWaalsContact C-N 3.26Å; A670-M672 PolarHBondContact O-N 3.06Å; A670-M672 VanDerWaalsContact O-N 3.07Å; M672-A674 VanDerWaalsContact C-N 3.34Å; M672-A674 PolarHBondContact O-N 2.88Å; M672-K675 PolarHBondContact O-N 3.07Å; M672-T676 PolarHBondContact O-N 3.14Å; M672-T676 VanDerWaalsContact O-N 3.12Å
673M74.8Confident70.7Confident109 Ų109129.8 Ų129.854%0.53765%0.649SS.*Hα-helixtrans-69.9-30.2179.1-69.5-159.7-64.200112.4I669 A670 T676 I677I669-M673 HydrophobicContact CG2-CB 3.54Å; A670-M673 PolarHBondContact O-N 3.39Å; M673-T676 WeakPolarHBondContact CA-OG1 3.35Å; M673-T676 PolarHBondContact O-N 3.18Å; M673-T676 PolarHBondContact O-OG1 3.48Å; M673-I677 WeakPolarHBondContact O-CB 3.39Å; M673-I677 WeakPolarHBondContact O-CD1 3.47Å; M673-I677 WeakPolarHBondContact O-CG1 3.37Å; M673-I677 PolarHBondContact O-N 3.05Å
674A80.8Confident71.4Confident45 Ų45128 Ų12837%0.37264%0.642SS.*Hα-helixtrans-64.9-40.9173.800000111.3I669 A670 P671 M672 K678I669-A674 HydrophobicContact CG2-CB 4.09Å; A670-A674 PolarHBondContact O-N 3.47Å; P671-A674 PolarHBondContact O-N 3.42Å; M672-A674 VanDerWaalsContact C-N 3.34Å; M672-A674 PolarHBondContact O-N 2.88Å; A674-K678 WeakPolarHBondContact O-CB 3.45Å; A674-K678 PolarHBondContact O-N 3.43Å
675K81.4Confident71.8Confident169 Ų169127.1 Ų127.174%0.73564%0.639SS**Hα-helixtrans-64.6-45.7174.5-74-172.9175.2-173.10112.3P671 M672 K678 A679P671-K675 PolarHBondContact O-N 3.03Å; P671-K675 VanDerWaalsContact O-N 3.08Å; M672-K675 PolarHBondContact O-N 3.07Å; K675-K678 PolarHBondContact O-N 3.39Å; K675-A679 WeakPolarHBondContact O-CB 3.22Å; K675-A679 PolarHBondContact O-N 3.04Å
676T81.1Confident72.2Confident92 Ų92129.4 Ų129.456%0.56464%0.639SS**Hα-helixtrans-67.5-40.2179.454.30000112.7M672 M673 A679 F680M672-T676 PolarHBondContact O-N 3.14Å; M672-T676 VanDerWaalsContact O-N 3.12Å; M673-T676 WeakPolarHBondContact CA-OG1 3.35Å; M673-T676 PolarHBondContact O-N 3.18Å; M673-T676 PolarHBondContact O-OG1 3.48Å; T676-A679 PolarHBondContact O-N 3.21Å; T676-F680 WeakPolarHBondContact O-CB 3.38Å; T676-F680 PolarHBondContact O-N 3.4Å
677I79.9Confident72Confident91 Ų91137.7 Ų137.747%0.46766%0.656SS.*Hα-helixtrans-63.9-41.9175.2-68.6166.8000111.1I669 M673 F680 K681I669-I677 HydrophobicContact CD1-CD1 4.11Å; I669-I677 HydrophobicContact CG2-CD1 4.31Å; M673-I677 WeakPolarHBondContact O-CB 3.39Å; M673-I677 WeakPolarHBondContact O-CD1 3.47Å; M673-I677 WeakPolarHBondContact O-CG1 3.37Å; M673-I677 PolarHBondContact O-N 3.05Å; I677-F680 PolarHBondContact O-N 3.37Å; I677-K681 WeakPolarHBondContact O-CB 3.22Å; I677-K681 PolarHBondContact O-N 3.48Å
678K81.3Confident72.1Confident148 Ų148135.8 Ų135.864%0.64365%0.65SS**Hα-helixtrans-63.2-43174.9-170.1176.6-178.7-177.20111.6A674 K675 K681 N682A674-K678 WeakPolarHBondContact O-CB 3.45Å; A674-K678 PolarHBondContact O-N 3.43Å; K675-K678 PolarHBondContact O-N 3.39Å; K678-K681 PolarHBondContact O-N 3.21Å; K678-N682 PolarHBondContact O-N 2.81Å
679A76.2Confident72.2Confident51 Ų51131.6 Ų131.642%0.42164%0.635SS.*Hα-helixtrans-64.2-39.917700000112.8K675 T676 R683K675-A679 WeakPolarHBondContact O-CB 3.22Å; K675-A679 PolarHBondContact O-N 3.04Å; T676-A679 PolarHBondContact O-N 3.21Å; A679-R683 WeakPolarHBondContact O-CG 3.09Å; A679-R683 PolarHBondContact O-N 3.3Å
680F76.4Confident72.1Confident135 Ų135133.9 Ų133.959%0.59265%0.645SS**Hα-helixtrans-66.7-47.2176.2-164.9-92.2000111.3T676 I677 N682 R683 F684T676-F680 WeakPolarHBondContact O-CB 3.38Å; T676-F680 PolarHBondContact O-N 3.4Å; I677-F680 PolarHBondContact O-N 3.37Å; F680-N682 VanDerWaalsContact C-N 3.33Å; F680-N682 PolarHBondContact O-N 2.93Å; F680-R683 PolarHBondContact O-N 3.4Å; F680-F684 HydrophobicContact CD1-CD2 4.03Å; F680-F684 HydrophobicContact CD1-CE2 4.16Å; F680-F684 AromaticContact CE1-CD2 3.74Å; F680-F684 HydrophobicContact CE1-CD2 3.74Å; F680-F684 AromaticContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CZ 4.44Å; F680-F684 AromaticContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CZ-CD2 4.11Å; F680-F684 AromaticContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CE2 3.42Å; F680-F684 VanDerWaalsContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CZ 4.15Å; F680-F684 PolarHBondContact O-N 3.3Å
681K78.6Confident71.7Confident160 Ų160138.9 Ų138.970%0.69666%0.659SS**Hα-helixtrans-64.3-34.9-178.6-162.7166-175.5174.60112.8I677 K678 R683 S685I677-K681 WeakPolarHBondContact O-CB 3.22Å; I677-K681 PolarHBondContact O-N 3.48Å; K678-K681 PolarHBondContact O-N 3.21Å; K681-R683 VanDerWaalsContact C-N 3.31Å; K681-R683 PolarHBondContact O-N 2.85Å; K681-S685 PolarHBondContact O-N 3.1Å
682N69Low71.4Confident107 Ų107141 Ų14157%0.57266%0.657SS**Hα-helixtrans-66.4-27173.3-85.618.4000113.8K678 F680K678-N682 PolarHBondContact O-N 2.81Å; F680-N682 VanDerWaalsContact C-N 3.33Å; F680-N682 PolarHBondContact O-N 2.93Å
683R66.4Low71.5Confident205 Ų205140 Ų14077%0.77465%0.65SS**Hα-helixtrans-76.1-32.3179-71.8178.2-176.2-1650.3113.1A679 F680 K681A679-R683 WeakPolarHBondContact O-CG 3.09Å; A679-R683 PolarHBondContact O-N 3.3Å; F680-R683 PolarHBondContact O-N 3.4Å; K681-R683 VanDerWaalsContact C-N 3.31Å; K681-R683 PolarHBondContact O-N 2.85Å
684F65.4Low71.3Confident148 Ų148142.2 Ų142.265%0.64966%0.658SS**Hα-helixtrans-87.3-10.7179-78.5-88.1000114.1F680 R686F680-F684 HydrophobicContact CD1-CD2 4.03Å; F680-F684 HydrophobicContact CD1-CE2 4.16Å; F680-F684 AromaticContact CE1-CD2 3.74Å; F680-F684 HydrophobicContact CE1-CD2 3.74Å; F680-F684 AromaticContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CE2 3.53Å; F680-F684 HydrophobicContact CE1-CZ 4.44Å; F680-F684 AromaticContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CE2-CE2 3.94Å; F680-F684 HydrophobicContact CZ-CD2 4.11Å; F680-F684 AromaticContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CE2 3.42Å; F680-F684 VanDerWaalsContact CZ-CE2 3.42Å; F680-F684 HydrophobicContact CZ-CZ 4.15Å; F680-F684 PolarHBondContact O-N 3.3Å; F684-R686 VanDerWaalsContact C-N 3.29Å; F684-R686 PolarHBondContact O-N 3.44Å
685S57.8Low70.6Confident96 Ų96149.7 Ų149.767%0.67168%0.68SS**SBendtrans-89.420.6178.7-166.60000114.1K681K681-S685 PolarHBondContact O-N 3.1Å
686R58.2Low69.7Low233 Ų233148.1 Ų148.188%0.87968%0.675SS**  trans-133.639.4178.3-71.7-166.7174.1-160.10.2112.3F684F684-R686 VanDerWaalsContact C-N 3.29Å; F684-R686 PolarHBondContact O-N 3.44Å
687R45.8Very low68.6Low311 Ų311153.2 Ų153.2100%1.17469%0.685SS**  trans-135.20161.4-81.6-170.1172.2-166.4-3.2107.7

Retrieved 687 of 687 residues in 316.5 ms (Link to these results)