A0A090N8G7_HUMAN Loading...

Similar to RP9 protein

AlphaFold DB , UniProt , Accession A0A090N8G7, Species HUMAN (Homo sapiens, Human), Gene LOC402478, Length 315 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
1M48.4Very low51.9Low245 Ų245170.2 Ų170.2100%1.20779%0.785SS**  072.30-78.7-177.2167.300112.3
2K52.2Low52.2Low223 Ų223165.4 Ų165.497%0.9777%0.77SS**  trans-118.526178.4-83.9-178.5176.1174.90113.8
3G50.7Low52.4Low59 Ų59161.8 Ų161.861%0.60875%0.753SS**SBendtrans-106.3-17.3-172.100000117.7
4Y49.5Very low52.7Low226 Ų226163.6 Ų163.689%0.88675%0.75SS**SBendtrans-98.7-3-164-79.1-85.8000116.2
5R50.8Low53.1Low236 Ų236162.2 Ų162.289%0.89174%0.744SS**SBendtrans-91.1-14.8-176.6-125.3178.1-174-1610.8114.8
6N49.7Very low53.3Low118 Ų118163.5 Ų163.563%0.63174%0.741SS**SBendtrans-93.5-18.3-173.9-111.1-0.2000115.2K8N6-K8 PolarHBondContact O-N 3.49Å
7K53.7Low53.5Low189 Ų189163.4 Ų163.482%0.82273%0.733SS**Hα-helixtrans-73.1-28-178-122.7170-178.3173.90113.2
8K54.5Low53.8Low186 Ų186160.6 Ų160.681%0.80972%0.722SS**Hα-helixtrans-82.1-25.5-177.5-151.3170.5-172.9173.20113.8N6N6-K8 PolarHBondContact O-N 3.49Å
9K53.4Low54Low160 Ų160153.9 Ų153.970%0.69670%0.702SS**Hα-helixtrans-72.8-41.9173.3-96.1-171.3171.6-170.90111.9G11 N12 E13K9-G11 PolarHBondContact O-N 3.38Å; K9-N12 PolarHBondContact O-N 3.4Å; K9-E13 PolarHBondContact O-N 3.48Å
10R54.6Low54.4Low192 Ų192151.3 Ų151.373%0.72569%0.691SS**Hα-helixtrans-66.9-29.3-179.5-73.6-173.4165.9-173.7-4114.6R14R10-R14 PolarHBondContact O-N 3.43Å
11G53.8Low54.8Low38 Ų38150.3 Ų150.339%0.39269%0.685SS.*Hα-helixtrans-68.1-41176.100000113.1K9 E13 R14 E15K9-G11 PolarHBondContact O-N 3.38Å; G11-E13 PolarHBondContact O-N 3.41Å; G11-R14 PolarHBondContact O-N 2.99Å; G11-E15 PolarHBondContact O-N 3.33Å
12N55.1Low55.3Low113 Ų113143.6 Ų143.660%0.60465%0.654SS**Hα-helixtrans-71.5-32.2-176.5-157.84.1000112.4K9 R16K9-N12 PolarHBondContact O-N 3.4Å; N12-R16 WeakPolarHBondContact O-CB 3.43Å; N12-R16 PolarHBondContact O-N 3.17Å; N12-R16 VanDerWaalsContact O-N 3.08Å
13E55.2Low55.7Low118 Ų118140.4 Ų140.455%0.55164%0.64SS**Hα-helixtrans-67-39.6173.5-116.7167.8168.400112.1K9 G11 R16 W17K9-E13 PolarHBondContact O-N 3.48Å; G11-E13 PolarHBondContact O-N 3.41Å; E13-R16 PolarHBondContact O-N 3.36Å; E13-W17 VanDerWaalsContact O-CD1 3.25Å; E13-W17 PolarHBondContact O-N 3.24Å
14R56.6Low56.1Low187 Ų187142.1 Ų142.171%0.70663%0.634SS**Hα-helixtrans-69-36.2-179.9-152.4179.7-163.6-139.84.3112.4R10 G11 Q18R10-R14 PolarHBondContact O-N 3.43Å; G11-R14 PolarHBondContact O-N 2.99Å; R14-Q18 WeakPolarHBondContact O-CG 3.32Å; R14-Q18 PolarHBondContact O-N 3.31Å
15E58.5Low56.8Low143 Ų143135 Ų13567%0.66861%0.614SS**Hα-helixtrans-70.2-37.2173.8-72-178.9144.700111.9G11 Q18 G19G11-E15 PolarHBondContact O-N 3.33Å; E15-Q18 PolarHBondContact O-N 3.5Å; E15-G19 PolarHBondContact O-N 3.09Å
16R56.7Low57.2Low183 Ų183128.9 Ų128.969%0.69160%0.598SS**Hα-helixtrans-62.4-46.7174.3-169.2175.7-172165.13.3111.8N12 E13 Q18 G19 E20N12-R16 WeakPolarHBondContact O-CB 3.43Å; N12-R16 PolarHBondContact O-N 3.17Å; N12-R16 VanDerWaalsContact O-N 3.08Å; E13-R16 PolarHBondContact O-N 3.36Å; R16-Q18 VanDerWaalsContact C-N 3.33Å; R16-Q18 PolarHBondContact O-N 3.08Å; R16-G19 PolarHBondContact O-N 3.04Å; R16-E20 WeakPolarHBondContact O-CB 3.38Å; R16-E20 PolarHBondContact O-N 3.11Å
17W56.9Low57.6Low161 Ų161126.1 Ų126.161%0.6159%0.588SS**Hα-helixtrans-63.9-33.8176.9-88.590.2000113.4E13 K21E13-W17 VanDerWaalsContact O-CD1 3.25Å; E13-W17 PolarHBondContact O-N 3.24Å; W17-K21 VanDerWaalsContact O-CG 3.32Å; W17-K21 WeakPolarHBondContact O-CG 3.39Å; W17-K21 PolarHBondContact O-N 3.15Å; W17-K21 VanDerWaalsContact O-N 3.13Å
18Q58.7Low57.9Low114 Ų114122.3 Ų122.353%0.53357%0.573SS.*Hα-helixtrans-73.2-39.5174.2-73.5-175.240.300112.3R14 E15 R16 E20 K21 N22R14-Q18 WeakPolarHBondContact O-CG 3.32Å; R14-Q18 PolarHBondContact O-N 3.31Å; E15-Q18 PolarHBondContact O-N 3.5Å; R16-Q18 VanDerWaalsContact C-N 3.33Å; R16-Q18 PolarHBondContact O-N 3.08Å; Q18-E20 VanDerWaalsContact C-N 3.28Å; Q18-E20 PolarHBondContact O-N 3.47Å; Q18-K21 PolarHBondContact O-N 3.4Å; Q18-N22 PolarHBondContact O-N 3.38Å
19G57.6Low57.9Low33 Ų33122.5 Ų122.534%0.3457%0.569SS.*Hα-helixtrans-63.6-33.6174.100000113E15 R16 K23E15-G19 PolarHBondContact O-N 3.09Å; R16-G19 PolarHBondContact O-N 3.04Å; G19-K23 VanDerWaalsContact O-CG 3.26Å; G19-K23 WeakPolarHBondContact O-CG 3.25Å; G19-K23 PolarHBondContact O-N 3.28Å; G19-K23 VanDerWaalsContact O-N 3.15Å
20E61.9Low58Low102 Ų102121.9 Ų121.948%0.47757%0.57SS.*Hα-helixtrans-75.4-40.3178.8-156.3149.1-152.700112R16 Q18 N22 K23 I24R16-E20 WeakPolarHBondContact O-CB 3.38Å; R16-E20 PolarHBondContact O-N 3.11Å; Q18-E20 VanDerWaalsContact C-N 3.28Å; Q18-E20 PolarHBondContact O-N 3.47Å; E20-N22 PolarHBondContact O-N 3.3Å; E20-K23 PolarHBondContact O-N 3.41Å; E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 3.37Å; E20-I24 VanDerWaalsContact O-N 3.07Å
21K61.7Low58.2Low130 Ų130120.6 Ų120.657%0.56557%0.572SS**Hα-helixtrans-61.7-42.2171.5-72.8179.5-178.3-169.10112.7W17 Q18 K23 I24 T25W17-K21 VanDerWaalsContact O-CG 3.32Å; W17-K21 WeakPolarHBondContact O-CG 3.39Å; W17-K21 PolarHBondContact O-N 3.15Å; W17-K21 VanDerWaalsContact O-N 3.13Å; Q18-K21 PolarHBondContact O-N 3.4Å; K21-K23 VanDerWaalsContact C-N 3.33Å; K21-K23 PolarHBondContact O-N 3.23Å; K21-I24 PolarHBondContact O-N 3Å; K21-T25 PolarHBondContact O-N 3.01Å; K21-T25 VanDerWaalsContact O-N 3.12Å; K21-T25 PolarHBondContact O-OG1 3.32Å
22N59Low58.2Low105 Ų105129.2 Ų129.256%0.56159%0.593SS**Hα-helixtrans-66.6-33.5176.9-83.1-8000112.7Q18 E20 T25 I26Q18-N22 PolarHBondContact O-N 3.38Å; E20-N22 PolarHBondContact O-N 3.3Å; N22-T25 WeakPolarHBondContact CA-OG1 3.36Å; N22-T25 PolarHBondContact O-OG1 3.06Å; N22-I26 WeakPolarHBondContact O-CD1 3.35Å; N22-I26 VanDerWaalsContact O-CG1 3.26Å; N22-I26 WeakPolarHBondContact O-CG1 3.37Å; N22-I26 PolarHBondContact O-N 3.48Å
23K60.7Low57.9Low155 Ų155131.6 Ų131.667%0.67460%0.601SS**Hα-helixtrans-67.2-43.1174.8-76.6172.3-176.7-1760112G19 E20 K21 T25 I26 S27G19-K23 VanDerWaalsContact O-CG 3.26Å; G19-K23 WeakPolarHBondContact O-CG 3.25Å; G19-K23 PolarHBondContact O-N 3.28Å; G19-K23 VanDerWaalsContact O-N 3.15Å; E20-K23 PolarHBondContact O-N 3.41Å; K21-K23 VanDerWaalsContact C-N 3.33Å; K21-K23 PolarHBondContact O-N 3.23Å; K23-T25 PolarHBondContact O-N 3.45Å; K23-I26 PolarHBondContact O-N 3.27Å; K23-S27 PolarHBondContact O-N 3.46Å; K23-S27 PolarHBondContact O-OG 3.47Å; K23-S27 VanDerWaalsContact O-OG 3.07Å
24I60Low57.2Low95 Ų95128.4 Ų128.449%0.48760%0.6SS.*Hα-helixtrans-60.7-44.9177.3-65.8163.1000110.5E20 K21 I26 S27 E28E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 3.37Å; E20-I24 VanDerWaalsContact O-N 3.07Å; K21-I24 PolarHBondContact O-N 3Å; I24-I26 VanDerWaalsContact C-N 3.3Å; I24-I26 PolarHBondContact O-N 3.36Å; I24-S27 WeakPolarHBondContact CA-OG 3.36Å; I24-S27 PolarHBondContact O-N 3.42Å; I24-S27 PolarHBondContact O-OG 3.15Å; I24-E28 VanDerWaalsContact O-CB 3.25Å; I24-E28 WeakPolarHBondContact O-CB 3.43Å; I24-E28 PolarHBondContact O-N 3.37Å
25T64.2Low56.8Low77 Ų77125 Ų12547%0.47260%0.602SS.*Hα-helixtrans-64.7-30.1177.6500000114.1K21 N22 K23 R29K21-T25 PolarHBondContact O-N 3.01Å; K21-T25 VanDerWaalsContact O-N 3.12Å; K21-T25 PolarHBondContact O-OG1 3.32Å; N22-T25 WeakPolarHBondContact CA-OG1 3.36Å; N22-T25 PolarHBondContact O-OG1 3.06Å; K23-T25 PolarHBondContact O-N 3.45Å; T25-R29 WeakPolarHBondContact O-CB 3.33Å; T25-R29 PolarHBondContact O-N 3.05Å; T25-R29 VanDerWaalsContact O-N 3.15Å
26I58.1Low56.1Low108 Ų108127 Ų12755%0.55461%0.611SS**Hα-helixtrans-78.3-42.3178.4-68.8167.1000110.5N22 K23 I24 E28 R29 M30N22-I26 WeakPolarHBondContact O-CD1 3.35Å; N22-I26 VanDerWaalsContact O-CG1 3.26Å; N22-I26 WeakPolarHBondContact O-CG1 3.37Å; N22-I26 PolarHBondContact O-N 3.48Å; K23-I26 PolarHBondContact O-N 3.27Å; I24-I26 VanDerWaalsContact C-N 3.3Å; I24-I26 PolarHBondContact O-N 3.36Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-R29 PolarHBondContact O-N 3.13Å; I26-M30 PolarHBondContact O-N 3.07Å
27S58.6Low55.5Low59 Ų59125 Ų12541%0.41361%0.614SS.*Hα-helixtrans-64.8-38174.949.80000112.3K23 I24 M30 Q31K23-S27 PolarHBondContact O-N 3.46Å; K23-S27 PolarHBondContact O-OG 3.47Å; K23-S27 VanDerWaalsContact O-OG 3.07Å; I24-S27 WeakPolarHBondContact CA-OG 3.36Å; I24-S27 PolarHBondContact O-N 3.42Å; I24-S27 PolarHBondContact O-OG 3.15Å; S27-M30 PolarHBondContact O-N 3.27Å; S27-Q31 PolarHBondContact O-N 3.27Å
28E59.4Low54.5Low109 Ų109123.3 Ų123.351%0.50962%0.621SS.*Hα-helixtrans-69.9-33.7178-161.6177.8173.700111.9I24 I26 R32I24-E28 VanDerWaalsContact O-CB 3.25Å; I24-E28 WeakPolarHBondContact O-CB 3.43Å; I24-E28 PolarHBondContact O-N 3.37Å; I26-E28 VanDerWaalsContact C-N 3.34Å; E28-R32 PolarHBondContact O-N 2.94Å
29R56.2Low53.5Low190 Ų190130.4 Ų130.472%0.71764%0.643SS**Hα-helixtrans-68.4-33.5170.6-176179.5-78.8-168.8-4.4112.5T25 I26T25-R29 WeakPolarHBondContact O-CB 3.33Å; T25-R29 PolarHBondContact O-N 3.05Å; T25-R29 VanDerWaalsContact O-N 3.15Å; I26-R29 PolarHBondContact O-N 3.13Å
30M54.3Low52.3Low147 Ų147131.6 Ų131.672%0.72466%0.656SS**Hα-helixtrans-74-32176.6-110.5165.3139.800112.8I26 S27 Q33I26-M30 PolarHBondContact O-N 3.07Å; S27-M30 PolarHBondContact O-N 3.27Å; M30-Q33 PolarHBondContact O-N 3.42Å
31Q58.8Low51Low165 Ų165136.4 Ų136.477%0.77168%0.675SS**Hα-helixtrans-77.6-17.5176.7-93.8162.2-6.200114.5S27 Q33S27-Q31 PolarHBondContact O-N 3.27Å; Q31-Q33 VanDerWaalsContact C-N 3.3Å
32R53.4Low49.9Very low219 Ų219136.8 Ų136.883%0.82669%0.688SS**THydrogen-bonded Turntrans-81.1-5.5171.1-75.8-174.4171.2-126.30.8114.3E28E28-R32 PolarHBondContact O-N 2.94Å
33Q49.8Very low48.9Very low164 Ų164138 Ų13877%0.76670%0.699SS**  trans-114.571.6171.9-68.8-177.246.100109M30 Q31M30-Q33 PolarHBondContact O-N 3.42Å; Q31-Q33 VanDerWaalsContact C-N 3.3Å
34G40.8Very low48Very low51 Ų51135 Ų13553%0.52670%0.704SS.*  trans-73.9159.5166.500000111.2E36G34-E36 PolarHBondContact O-N 2.94Å
35P47.5Very low46.7Very low115 Ų115142 Ų14275%0.74772%0.724SS**  trans-70.6116.7176.829.8-31.4000109.1N37P35-N37 VanDerWaalsContact C-N 3.25Å; P35-N37 PolarHBondContact O-N 3.43Å
36E43.7Very low45.4Very low185 Ų185149.1 Ų149.186%0.86474%0.742SS**  trans-69.989.4168.1-66.1-163.5160.300109.1G34G34-E36 PolarHBondContact O-N 2.94Å
37N44Very low44.2Very low142 Ų142155.7 Ų155.776%0.75976%0.76SS**  trans-78.3108.5158.8-65.7-20.9000107.4P35P35-N37 VanDerWaalsContact C-N 3.25Å; P35-N37 PolarHBondContact O-N 3.43Å
38V36.8Very low43.2Very low125 Ų125157.5 Ų157.576%0.75877%0.772SS**  trans-12085.9164.2-174.50000108.6
39W36.1Very low42.6Very low263 Ų263157.3 Ų157.3100%0.99678%0.781SS**  trans-90.5127150.7-95.161.3000108.3
40G34.3Very low42Very low58 Ų58154.6 Ų154.660%0.59879%0.787SS**  trans114.7109.5154.600000115.9
41K32.7Very low41Very low202 Ų202153.5 Ų153.588%0.87879%0.789SS**  -174.8110.1107.2-95164.4-174.7-177.50111.4T43K41-T43 PolarHBondContact O-N 3.46Å
42V40.3Very low39.9Very low139 Ų139156.3 Ų156.384%0.84279%0.793SS**  trans-52.8120153.9172.20000108.4
43T36.5Very low38.9Very low130 Ų130151.8 Ų151.880%0.79880%0.795SS**  trans-136.8112.1149.449.50000108.9K41 R45K41-T43 PolarHBondContact O-N 3.46Å; T43-R45 PolarHBondContact O-N 3.29Å
44A42.3Very low38.3Very low93 Ų93148.2 Ų148.277%0.76979%0.788SS**  trans-64.9123.7168.400000109.2
45R33.2Very low39Very low241 Ų241151.3 Ų151.391%0.90980%0.799SS**  trans-132.4103.8153.2-96.9-175.3174.2-122.70109.4T43 R47T43-R45 PolarHBondContact O-N 3.29Å; R45-R47 PolarHBondContact O-N 2.99Å
46R37.1Very low38.9Very low226 Ų226151.9 Ų151.985%0.85380%0.802SS**  trans-41.3125.6160.1-75170.6164.5-1140.9110.4
47R33.4Very low38.3Very low247 Ų247146.8 Ų146.893%0.93280%0.8SS**  trans-131.1107.9142.1-81-171.6-178.1-116.42.4107.4R45R45-R47 PolarHBondContact O-N 2.99Å
48S36.2Very low37.7Very low97 Ų97143.1 Ų143.168%0.67880%0.795SS**PPolyproline II helixtrans-69.4158.1167.7-64.50000110.3
49P46.6Very low37.6Very low105 Ų105150 Ų15068%0.68281%0.808SS**PPolyproline II helixtrans-88.2157.8-170.436.5-33.3000111.5
50P43.9Very low37.6Very low132 Ų132142 Ų14286%0.85780%0.797SS**PPolyproline II helixtrans-82125.5163.630.4-28000110.8
51T34.3Very low37.8Very low125 Ų125150.7 Ų150.777%0.76781%0.812SS**PPolyproline II helixtrans-80.8134.9170490000111.2
52R34.2Very low38.1Very low224 Ų224148.7 Ų148.785%0.84581%0.811SS**  trans62112.7130.9-131.4172.6-169.4-97.40.9119.5
53S33.9Very low38.6Very low123 Ų123147.3 Ų147.386%0.8681%0.805SS**  trans-144.1117.7139.954.60000108.9
54S37Very low38.8Very low89 Ų89149.2 Ų149.262%0.62281%0.805SS**  trans-103.1-175.7172.9-52.80000109.7
55P54Low39Very low116 Ų116149.5 Ų149.575%0.75380%0.799SS**  -117.1-168.9-99.934.2-13.9000112.4
56P46.5Very low39.3Very low127 Ų127145.9 Ų145.983%0.82580%0.797SS**  -143.7154.7122.236.4-21.7000115.7
57G31.5Very low39.1Very low79 Ų79140.7 Ų140.781%0.81479%0.791SS**  trans77.5111.3159.300000114.4
58G30.2Very low39.4Very low64 Ų64140.6 Ų140.666%0.6679%0.79SS**  cis104.2100.437.800000107.6
59W35.4Very low39.2Very low269 Ų269139 Ų139100%1.01979%0.79SS**  trans-162.6117.7132.9-76.5-21.5000108.3
60A35.5Very low39.4Very low95 Ų95140.2 Ų140.279%0.78580%0.797SS**  trans-77.5140.2171.100000109.6
61R37.9Very low39Very low241 Ų241140.5 Ų140.591%0.90980%0.797SS**  trans-175.7101.4144-107.2166.2164.5-117.5-3.4110.2
62D41.1Very low39.1Very low161 Ų161146.7 Ų146.786%0.86181%0.806SS**  trans-135.6139138.8-84.7-45.6000103.8
63P49.5Very low39Very low110 Ų110140.1 Ų140.171%0.71481%0.809SS**  -151.4157.97836.5-16.3000115.7
64E40.1Very low39Very low170 Ų170138 Ų13879%0.79481%0.805SS**  158.6138.2118.3-86.3-86.2120.800111.8
65P47.6Very low38.8Very low99 Ų99137 Ų13764%0.64381%0.81SS**  trans-91.1124.1176.634.3-29.5000111.6T67P65-T67 PolarHBondContact O-N 3.45Å
66L38.6Very low37.8Very low164 Ų164138.9 Ų138.986%0.85981%0.814SS**  trans-84.3104.7171.5-83.1161.9000111.1
67T34.5Very low37.3Very low118 Ų118144 Ų14472%0.72482%0.816SS**  trans-63.6135.9163.250.40000110.9P65P65-T67 PolarHBondContact O-N 3.45Å
68W38.7Very low37.8Very low244 Ų244147 Ų14792%0.92482%0.819SS**  trans-132.6115.5155.5-74.574.5000108.1
69G33Very low38Very low65 Ų65147.9 Ų147.967%0.6782%0.82SS**  trans-130.3-170.6158.200000108.6
70P49.6Very low37.9Very low129 Ų129143.8 Ų143.884%0.83881%0.812SS**  -122.7162.9-80.637.5-28.5000113.3
71T36Very low37.8Very low138 Ų138143.2 Ų143.285%0.84781%0.807SS**  trans-143.1104.2159.844.40000108.8
72R36.3Very low37.7Very low255 Ų255140.6 Ų140.696%0.96281%0.806SS**  73.5117.992.3-97.7-170.1-170.1-143.52.4115.7
73G32.3Very low37.4Very low87 Ų87140.1 Ų140.190%0.89781%0.809SS**  trans101.9120.6154.400000114.5
74G33Very low36.8Very low77 Ų77140.4 Ų140.479%0.79481%0.813SS**  cis156.5142.23.400000108.7
75G32.8Very low36.5Very low70 Ų70135.9 Ų135.972%0.72281%0.812SS**  trans54.4145164.900000118.8
76D34.1Very low37Very low154 Ų154137.2 Ų137.282%0.82482%0.821SS**  cis-156.212713.2-80.7-65.3000106.1
77R36.4Very low37.6Very low234 Ų234135.6 Ų135.688%0.88382%0.82SS**  48.3106.988.6-87.1-169162.2-153.3-4.6116.7
78V40.3Very low37.5Very low142 Ų142133.9 Ų133.986%0.86183%0.826SS**  -171.1110.3125.8-900000106.4
79A35.6Very low37.1Very low83 Ų83125.8 Ų125.869%0.68682%0.818SS**  59.410165.100000110.8
80E32.9Very low37.1Very low184 Ų184127.7 Ų127.786%0.8683%0.828SS**  147.515793.3-76-74.9116.400103.7
81A34Very low36.4Very low83 Ų83126.8 Ų126.869%0.68683%0.831SS**  cis-164.9154.1-700000106.2
82E34.8Very low36.2Very low186 Ų186123.8 Ų123.887%0.86983%0.827SS**  trans-66.8152.5168.9-56.9-174.5102.800111.1
83T35.8Very low36.1Very low151 Ų151116.4 Ų116.493%0.92682%0.821SS**  trans-166143.2135.432.50000111.9
84S37.6Very low36.1Very low115 Ų115118.8 Ų118.880%0.80481%0.813SS**  trans-89.8143-170.349.50000114.7
85G33.3Very low36.3Very low75 Ų75121.6 Ų121.677%0.77381%0.807SS**  92.1145.5129.300000121
86P57.3Low36.9Very low127 Ų127123.5 Ų123.583%0.82581%0.81SS**  trans-95.7-168.2-171.144.4-36.2000112
87P51.6Low37Very low130 Ų130121.6 Ų121.684%0.84481%0.808SS**  cis-155.6-170.929.442.1-17000119.5
88G31.5Very low37.5Very low83 Ų83122.2 Ų122.286%0.85681%0.811SS**  trans103.2142.3156.700000115.1
89G30.4Very low37.7Very low74 Ų74121.4 Ų121.476%0.76381%0.808SS**  cis146.3142.810.300000108.6
90A34.2Very low37.6Very low105 Ų105119.9 Ų119.987%0.86880%0.801SS**  trans79.9121.5176.900000116.7
91A34.3Very low38.2Very low110 Ų110122.5 Ų122.591%0.90980%0.803SS**  cis97.3131.847.400000113
92G31.8Very low38.3Very low74 Ų74126.6 Ų126.676%0.76381%0.808SS**  trans118.993.1171.800000112.7
93A34Very low38.7Very low101 Ų101124.7 Ų124.784%0.83580%0.803SS**  73.6110.482.300000114.5
94D31.8Very low38.9Very low136 Ų136123.8 Ų123.873%0.72780%0.798SS**  90.5140.6128.2-138.9-140.6000122
95M37.6Very low39.3Very low136 Ų136122 Ų12267%0.6780%0.798SS**  trans80.2102.3159.5-62.1-64113.600121.2S97M95-S97 PolarHBondContact O-N 3Å
96S46.6Very low39.5Very low111 Ų111123.1 Ų123.178%0.77680%0.799SS**  -0.6114126-62.20000115.8
97S36.2Very low38.7Very low113 Ų113122 Ų12279%0.7980%0.8SS**  trans-156.1116.2144.4-81.40000108.8M95 P99M95-S97 PolarHBondContact O-N 3Å; S97-P99 WeakPolarHBondContact O-CD 3.26Å
98R47.2Very low38.3Very low248 Ų248119 Ų11994%0.93679%0.793SS**  trans-62.2124160.5-69.2172.3166.3-156.1-3.9107.3
99P44.3Very low38.9Very low125 Ų125119.5 Ų119.581%0.81279%0.79SS**  trans-84.9114.3150.624.9-10.1000105.5S97S97-P99 WeakPolarHBondContact O-CD 3.26Å
100G32.1Very low40Very low51 Ų51127.4 Ų127.453%0.52680%0.796SS.*  848467.900000105.9E102G100-E102 VanDerWaalsContact C-N 3.32Å; G100-E102 PolarHBondContact O-N 3.12Å
101R47Very low41.1Very low239 Ų239133.3 Ų133.390%0.90280%0.796SS**  trans-70.294.9171.6178.3179.4173.3-96.9-1.1106.4
102E35.1Very low42.3Very low169 Ų169133.6 Ų133.679%0.7979%0.789SS**  trans-120.3104.5172.4-52.5-162.6-176.200107.3G100 V104G100-E102 VanDerWaalsContact C-N 3.32Å; G100-E102 PolarHBondContact O-N 3.12Å; E102-V104 PolarHBondContact O-N 3.45Å
103D44.2Very low43.6Very low145 Ų145141.8 Ų141.878%0.77580%0.797SS**  trans-75.5104.3176.9-166.7-80.4000107.8
104V38.8Very low44.8Very low133 Ų133140.6 Ų140.681%0.80677%0.774SS**  trans-140108.8161.2-148.40000109E102 A106E102-V104 PolarHBondContact O-N 3.45Å; V104-A106 PolarHBondContact O-N 3.14Å
105G46.6Very low46.7Very low78 Ų78137.3 Ų137.380%0.80476%0.76SS**  trans-18.1106175.700000117.7
106A38.1Very low48.2Very low98 Ų98135.3 Ų135.381%0.8176%0.757SS**  trans-108.9109.3146.200000106.7V104 G108V104-A106 PolarHBondContact O-N 3.14Å; A106-G108 PolarHBondContact O-N 3.16Å
107A40.3Very low49.3Very low102 Ų102137.4 Ų137.484%0.84375%0.754SS**  trans-43.5105.218000000111.3A109A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 3.47Å
108G42Very low51.1Low68 Ų68135.9 Ų135.970%0.70174%0.735SS**  trans-60.798.7160.400000106.5A106 R110A106-G108 PolarHBondContact O-N 3.16Å; G108-R110 PolarHBondContact O-N 3.05Å
109A45.6Very low52.6Low94 Ų94130.3 Ų130.378%0.77772%0.72SS**  trans-55.993.6168.100000106.5A107 R111A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 3.47Å; A109-R111 PolarHBondContact O-N 3.34Å
110R52.7Low54.4Low240 Ų240128.9 Ų128.991%0.90670%0.704SS**  trans-58.8108.4170.1-69.5-168.5-170.2-133.25104.2G108G108-R110 PolarHBondContact O-N 3.05Å
111R58Low56.9Low228 Ų228132.4 Ų132.486%0.8671%0.707SS**  trans-48135.7169.8-77-172.9173.8-149.6-1.3107.1A109 R113A109-R111 PolarHBondContact O-N 3.34Å; R111-R113 PolarHBondContact O-N 3.5Å
112P59Low58.5Low116 Ų116128.4 Ų128.475%0.75369%0.692SS**  trans-47129.2173.7-25.633.3000108.5E114P112-E114 VanDerWaalsContact C-N 3.34Å; P112-E114 PolarHBondContact O-N 3.49Å
113R58.9Low60.8Low246 Ų246127.4 Ų127.493%0.92868%0.681SS**  trans-62.6101.9175.8-177.8170.1178.4156.2-2106.3R111R111-R113 PolarHBondContact O-N 3.5Å
114E59.1Low62.9Low77 Ų77128.7 Ų128.736%0.3668%0.675SS.*  trans-57.8141.6179.3-65.7-122.1130.800108.4P112 Q118 R122P112-E114 VanDerWaalsContact C-N 3.34Å; P112-E114 PolarHBondContact O-N 3.49Å; E114-Q118 HydrophobicContact CB-CB 4.41Å; E114-Q118 PolarHBondContact OE2-OE1 3.03Å; E114-R122 IonicContact OE1-NH2 2.85Å; E114-R122 IonicContact OE2-CZ 3.69Å; E114-R122 IonicContact OE2-NE 3.67Å; E114-R122 PolarHBondContact OE2-NE 2.9Å; E114-R122 IonicContact OE2-NH2 3.89Å; E114-R122 PolarHBondContact OE2-NH2 2.76Å
115P70.7Confident65.3Low66 Ų66125.5 Ų125.543%0.42965%0.652SS.*  trans-49.4139.7176.4-26.633.3000110.6E117 Q118 E119P115-E117 PolarHBondContact O-N 3.16Å; P115-Q118 PolarHBondContact O-N 3.34Å; P115-E119 PolarHBondContact O-N 3.48Å
116P70.3Confident67.2Low95 Ų95126.8 Ų126.862%0.61764%0.637SS**Hα-helixtrans-55.3-25.1-175.421.2-32.7000113.1L120P116-L120 VanDerWaalsContact O-CG 3.31Å; P116-L120 WeakPolarHBondContact O-CG 3.26Å; P116-L120 PolarHBondContact O-N 3.01Å; P116-L120 VanDerWaalsContact O-N 3.12Å
117E68.8Low69.7Low154 Ų154127.9 Ų127.972%0.7262%0.623SS**Hα-helixtrans-68.8-39175.1-58.7-169.1157.100113.4P115 L120 Q121P115-E117 PolarHBondContact O-N 3.16Å; E117-L120 PolarHBondContact O-N 3.2Å; E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 PolarHBondContact O-N 3.4Å
118Q75.1Confident72Confident82 Ų82129.3 Ų129.338%0.38361%0.607SS.*Hα-helixtrans-70.9-35.4177.5-70.4179.6500111.5E114 P115 Q121 R122E114-Q118 HydrophobicContact CB-CB 4.41Å; E114-Q118 PolarHBondContact OE2-OE1 3.03Å; P115-Q118 PolarHBondContact O-N 3.34Å; Q118-Q121 PolarHBondContact O-N 3.13Å; Q118-R122 WeakPolarHBondContact O-CG 3.31Å; Q118-R122 PolarHBondContact O-N 3.06Å
119E78.7Confident74.2Confident131 Ų131133.7 Ų133.761%0.61260%0.602SS**Hα-helixtrans-65.9-43174.1-171.6174.8-173.700111.7P115 Q121 R122 R123P115-E119 PolarHBondContact O-N 3.48Å; E119-Q121 VanDerWaalsContact C-N 3.33Å; E119-Q121 PolarHBondContact O-N 3.04Å; E119-R122 PolarHBondContact O-N 3.47Å; E119-R123 WeakPolarHBondContact O-CB 3.47Å; E119-R123 PolarHBondContact O-N 3.32Å
120L82.1Confident76.3Confident94 Ų94136.6 Ų136.649%0.49259%0.593SS.*Hα-helixtrans-62.3-39.7173.1-74.7170.2000112P116 E117 R123 R124P116-L120 VanDerWaalsContact O-CG 3.31Å; P116-L120 WeakPolarHBondContact O-CG 3.26Å; P116-L120 PolarHBondContact O-N 3.01Å; P116-L120 VanDerWaalsContact O-N 3.12Å; E117-L120 PolarHBondContact O-N 3.2Å; L120-R123 PolarHBondContact O-N 3.21Å; L120-R124 VanDerWaalsContact O-CG 3.31Å; L120-R124 WeakPolarHBondContact O-CG 3.49Å; L120-R124 PolarHBondContact O-N 3.2Å
121Q83.4Confident78Confident126 Ų126129.9 Ų129.959%0.58957%0.572SS**Hα-helixtrans-64.5-45176.5-169.9171.8-1.900111.7E117 Q118 E119 R123 R124 E125E117-Q121 WeakPolarHBondContact O-CB 3.44Å; E117-Q121 PolarHBondContact O-N 3.4Å; Q118-Q121 PolarHBondContact O-N 3.13Å; E119-Q121 VanDerWaalsContact C-N 3.33Å; E119-Q121 PolarHBondContact O-N 3.04Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.23Å; Q121-R124 PolarHBondContact O-N 3.05Å; Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.48Å
122R81.9Confident79.5Confident155 Ų155122.7 Ų122.759%0.58555%0.55SS**Hα-helixtrans-60.9-40.6173.2-72.6177.6-170.5-90.84.8111.9E114 Q118 E119 E125 Q126E114-R122 IonicContact OE1-NH2 2.85Å; E114-R122 IonicContact OE2-CZ 3.69Å; E114-R122 IonicContact OE2-NE 3.67Å; E114-R122 PolarHBondContact OE2-NE 2.9Å; E114-R122 IonicContact OE2-NH2 3.89Å; E114-R122 PolarHBondContact OE2-NH2 2.76Å; Q118-R122 WeakPolarHBondContact O-CG 3.31Å; Q118-R122 PolarHBondContact O-N 3.06Å; E119-R122 PolarHBondContact O-N 3.47Å; R122-E125 PolarHBondContact O-N 3.12Å; R122-Q126 WeakPolarHBondContact O-CB 3.28Å; R122-Q126 PolarHBondContact O-N 3.07Å
123R83.1Confident80.8Confident148 Ų148119.8 Ų119.856%0.55854%0.536SS*.Hα-helixtrans-66.1-39.7177.1-173173.3-178.1-100.35.6112.2E119 L120 Q121 K127E119-R123 WeakPolarHBondContact O-CB 3.47Å; E119-R123 PolarHBondContact O-N 3.32Å; L120-R123 PolarHBondContact O-N 3.21Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.23Å; R123-K127 WeakPolarHBondContact O-CG 3.48Å; R123-K127 PolarHBondContact O-N 2.82Å
124R87.8Confident82.2Confident171 Ų171113.6 Ų113.665%0.64552%0.518SS*.Hα-helixtrans-65.2-42.8173.9-73.5171.9178.5-175.50.4111L120 Q121 K127 R128L120-R124 VanDerWaalsContact O-CG 3.31Å; L120-R124 WeakPolarHBondContact O-CG 3.49Å; L120-R124 PolarHBondContact O-N 3.2Å; Q121-R124 PolarHBondContact O-N 3.05Å; R124-K127 PolarHBondContact O-N 3.15Å; R124-R128 WeakPolarHBondContact O-CG 3.39Å; R124-R128 PolarHBondContact O-N 3.15Å
125E88.4Confident83.5Confident67 Ų67114.4 Ų114.431%0.31352%0.521SS..Hα-helixtrans-64.9-42176.2-171.1177.6168.900112.4Q121 R122 K127 R128 R129Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.48Å; R122-E125 PolarHBondContact O-N 3.12Å; E125-K127 VanDerWaalsContact C-N 3.29Å; E125-K127 PolarHBondContact O-N 2.92Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 2.73Å; E125-R128 VanDerWaalsContact O-N 3.17Å; E125-R129 WeakPolarHBondContact O-CG 3.44Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.04Å; E125-R129 IonicContact OE1-NE 3.78Å; E125-R129 PolarHBondContact OE1-NE 3.38Å; E125-R129 IonicContact OE1-NH2 2.78Å; E125-R129 PolarHBondContact OE1-NH2 2.9Å
126Q88.1Confident84.2Confident105 Ų105116.8 Ų116.849%0.49153%0.53SS..Hα-helixtrans-63.3-36.3175.5-166.9179.338.100111.8R122 R130R122-Q126 WeakPolarHBondContact O-CB 3.28Å; R122-Q126 PolarHBondContact O-N 3.07Å; Q126-R130 VanDerWaalsContact O-CG 3.29Å; Q126-R130 WeakPolarHBondContact O-CG 3.39Å; Q126-R130 PolarHBondContact O-N 3.23Å
127K90.8Very high85Confident121 Ų121119.2 Ų119.253%0.52653%0.533SS..Hα-helixtrans-64.7-43.2172.3-77.8-176.7176-167.90112.1R123 R124 E125 R130 H131R123-K127 WeakPolarHBondContact O-CG 3.48Å; R123-K127 PolarHBondContact O-N 2.82Å; R124-K127 PolarHBondContact O-N 3.15Å; E125-K127 VanDerWaalsContact C-N 3.29Å; E125-K127 PolarHBondContact O-N 2.92Å; K127-R130 PolarHBondContact O-N 3.38Å; K127-H131 PolarHBondContact O-N 3.35Å; K127-H131 VanDerWaalsContact O-N 3.07Å
128R87.7Confident85.7Confident132 Ų132118 Ų11850%0.49853%0.528SS..Hα-helixtrans-59.5-51.2173.9-68.9-169.3-55.9-90.13111R124 E125 R130 H131 D132R124-R128 WeakPolarHBondContact O-CG 3.39Å; R124-R128 PolarHBondContact O-N 3.15Å; E125-R128 WeakPolarHBondContact O-CB 3.38Å; E125-R128 PolarHBondContact O-N 2.73Å; E125-R128 VanDerWaalsContact O-N 3.17Å; R128-R130 VanDerWaalsContact C-N 3.26Å; R128-R130 PolarHBondContact O-N 3.28Å; R128-H131 CarbonylContact O-C 3.59Å; R128-H131 WeakPolarHBondContact O-CA 3.48Å; R128-H131 WeakPolarHBondContact O-CB 3.29Å; R128-H131 PolarHBondContact O-N 3.47Å; R128-D132 PolarHBondContact O-N 2.88Å
129R88.6Confident86.1Confident159 Ų159119.1 Ų119.160%0.654%0.536SS*.Hα-helixtrans-56.4-36.8177.6-69.4177.1-176.6-138.74.5113.3E125 A133E125-R129 WeakPolarHBondContact O-CG 3.44Å; E125-R129 PolarHBondContact O-N 3.28Å; E125-R129 IonicContact OE1-CZ 3.04Å; E125-R129 IonicContact OE1-NE 3.78Å; E125-R129 PolarHBondContact OE1-NE 3.38Å; E125-R129 IonicContact OE1-NH2 2.78Å; E125-R129 PolarHBondContact OE1-NH2 2.9Å; R129-A133 VanDerWaalsContact O-CB 3.26Å; R129-A133 WeakPolarHBondContact O-CB 3.44Å; R129-A133 PolarHBondContact O-N 2.81Å
130R88.4Confident86.2Confident156 Ų156119.6 Ų119.659%0.58954%0.535SS*.Hα-helixtrans-67.4-42.2174.8-74.7175.6-173.3-163.33.6112Q126 K127 R128 Q134Q126-R130 VanDerWaalsContact O-CG 3.29Å; Q126-R130 WeakPolarHBondContact O-CG 3.39Å; Q126-R130 PolarHBondContact O-N 3.23Å; K127-R130 PolarHBondContact O-N 3.38Å; R128-R130 VanDerWaalsContact C-N 3.26Å; R128-R130 PolarHBondContact O-N 3.28Å; R130-Q134 WeakPolarHBondContact O-CG 3.46Å; R130-Q134 PolarHBondContact O-N 3.49Å; R130-Q134 VanDerWaalsContact O-N 3.07Å
131H89.3Confident86.2Confident99 Ų99121.1 Ų121.146%0.45854%0.54SS..Hα-helixtrans-65.5-44.8176.7-176.1-91.3000111.2K127 R128 A133 Q134 Q135K127-H131 PolarHBondContact O-N 3.35Å; K127-H131 VanDerWaalsContact O-N 3.07Å; R128-H131 CarbonylContact O-C 3.59Å; R128-H131 WeakPolarHBondContact O-CA 3.48Å; R128-H131 WeakPolarHBondContact O-CB 3.29Å; R128-H131 PolarHBondContact O-N 3.47Å; H131-A133 VanDerWaalsContact C-N 3.35Å; H131-A133 PolarHBondContact O-N 3.48Å; H131-Q134 WeakPolarHBondContact O-CB 3.36Å; H131-Q134 PolarHBondContact O-N 2.85Å; H131-Q134 VanDerWaalsContact O-N 3.15Å; H131-Q135 PolarHBondContact CE1-NE2 2.95Å; H131-Q135 PolarHBondContact O-N 3.04Å
132D88.4Confident86Confident77 Ų77119.5 Ų119.541%0.41254%0.535SS..Hα-helixtrans-63.4-40.8177.7-56.6-20.4000111.2R128 Q134 Q135 L136R128-D132 PolarHBondContact O-N 2.88Å; D132-Q134 VanDerWaalsContact C-N 3.33Å; D132-Q134 PolarHBondContact O-N 3.25Å; D132-Q135 PolarHBondContact O-N 3.37Å; D132-L136 WeakPolarHBondContact O-CB 3.5Å; D132-L136 WeakPolarHBondContact O-CG 3.39Å; D132-L136 PolarHBondContact O-N 2.99Å
133A88.1Confident85.7Confident55 Ų55117.4 Ų117.446%0.45553%0.532SS..Hα-helixtrans-63.6-37.2174.500000112.6R129 H131 Q137R129-A133 VanDerWaalsContact O-CB 3.26Å; R129-A133 WeakPolarHBondContact O-CB 3.44Å; R129-A133 PolarHBondContact O-N 2.81Å; H131-A133 VanDerWaalsContact C-N 3.35Å; H131-A133 PolarHBondContact O-N 3.48Å; A133-Q137 WeakPolarHBondContact O-CB 3.34Å; A133-Q137 PolarHBondContact O-N 3.46Å
134Q88.5Confident85.2Confident116 Ų116112.6 Ų112.654%0.54252%0.521SS..Hα-helixtrans-66.9-41.3174.1-74.1174.24.500111.6R130 H131 D132 Q137 Q138R130-Q134 WeakPolarHBondContact O-CG 3.46Å; R130-Q134 PolarHBondContact O-N 3.49Å; R130-Q134 VanDerWaalsContact O-N 3.07Å; H131-Q134 WeakPolarHBondContact O-CB 3.36Å; H131-Q134 PolarHBondContact O-N 2.85Å; H131-Q134 VanDerWaalsContact O-N 3.15Å; D132-Q134 VanDerWaalsContact C-N 3.33Å; D132-Q134 PolarHBondContact O-N 3.25Å; Q134-Q137 PolarHBondContact O-N 3.17Å; Q134-Q138 WeakPolarHBondContact O-CG 3.25Å; Q134-Q138 PolarHBondContact O-N 3.09Å
135Q85.8Confident84.4Confident93 Ų93110.7 Ų110.744%0.43552%0.517SS..Hα-helixtrans-63.9-43.2174.9-73.7-170.9-33.700112.1H131 D132 Q137 Q138 L139H131-Q135 PolarHBondContact CE1-NE2 2.95Å; H131-Q135 PolarHBondContact O-N 3.04Å; D132-Q135 PolarHBondContact O-N 3.37Å; Q135-Q137 VanDerWaalsContact C-N 3.31Å; Q135-Q137 PolarHBondContact O-N 3.02Å; Q135-Q138 PolarHBondContact O-N 3.45Å; Q135-L139 WeakPolarHBondContact O-CG 3.44Å; Q135-L139 PolarHBondContact O-N 2.92Å
136L85.9Confident83.3Confident117 Ų117115.9 Ų115.961%0.61354%0.535SS*.Hα-helixtrans-63-37.6174.7-72.8171.5000112D132 L139 K140D132-L136 WeakPolarHBondContact O-CB 3.5Å; D132-L136 WeakPolarHBondContact O-CG 3.39Å; D132-L136 PolarHBondContact O-N 2.99Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-K140 VanDerWaalsContact O-CB 3.23Å; L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 3.41Å
137Q85.4Confident82.3Confident146 Ų146117.5 Ų117.568%0.68254%0.543SS*.Hα-helixtrans-65.4-39175.1-173.1179.4-5.300111.9A133 Q134 Q135 H141A133-Q137 WeakPolarHBondContact O-CB 3.34Å; A133-Q137 PolarHBondContact O-N 3.46Å; Q134-Q137 PolarHBondContact O-N 3.17Å; Q135-Q137 VanDerWaalsContact C-N 3.31Å; Q135-Q137 PolarHBondContact O-N 3.02Å; Q137-H141 WeakPolarHBondContact O-CB 3.32Å; Q137-H141 PolarHBondContact O-N 3.4Å
138Q84.7Confident81.3Confident129 Ų129118.6 Ų118.660%0.60355%0.548SS*.Hα-helixtrans-67.4-44.4174.9-72.1174.9-7.600111.8Q134 Q135 H141 L142Q134-Q138 WeakPolarHBondContact O-CG 3.25Å; Q134-Q138 PolarHBondContact O-N 3.09Å; Q135-Q138 PolarHBondContact O-N 3.45Å; Q138-H141 WeakPolarHBondContact O-CB 3.49Å; Q138-H141 PolarHBondContact O-N 3.13Å; Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 2.99Å
139L83.8Confident80.1Confident105 Ų105115.4 Ų115.455%0.5554%0.544SS..Hα-helixtrans-61.7-45.9175.3-76164.7000111.5Q135 L136 H141 L142 E143Q135-L139 WeakPolarHBondContact O-CG 3.44Å; Q135-L139 PolarHBondContact O-N 2.92Å; L136-L139 PolarHBondContact O-N 3.34Å; L139-H141 PolarHBondContact O-N 3.36Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-L142 VanDerWaalsContact O-N 3.1Å; L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.37Å
140K80.9Confident78.9Confident140 Ų140111.9 Ų111.961%0.60954%0.542SS*.Hα-helixtrans-59.9-34.6175.4-173.7177.9-177.9177.40112.2L136 S144L136-K140 VanDerWaalsContact O-CB 3.23Å; L136-K140 WeakPolarHBondContact O-CB 3.34Å; L136-K140 PolarHBondContact O-N 3.41Å; K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 3.43Å; K140-S144 PolarHBondContact O-OG 3.07Å
141H80.2Confident77.4Confident126 Ų126111.1 Ų111.158%0.58356%0.557SS**Hα-helixtrans-67.5-43175177.668.6000111.7Q137 Q138 L139 F145Q137-H141 WeakPolarHBondContact O-CB 3.32Å; Q137-H141 PolarHBondContact O-N 3.4Å; Q138-H141 WeakPolarHBondContact O-CB 3.49Å; Q138-H141 PolarHBondContact O-N 3.13Å; L139-H141 PolarHBondContact O-N 3.36Å; H141-F145 WeakPolarHBondContact O-CB 3.4Å; H141-F145 PolarHBondContact O-N 3.17Å
142L79.2Confident76Confident93 Ų93110.1 Ų110.149%0.48757%0.574SS.*Hα-helixtrans-66.9-46.3176.6-66.1174.4000111.8Q138 L139 F145 Y146Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 2.99Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-L142 VanDerWaalsContact O-N 3.1Å; L142-F145 PolarHBondContact O-N 3.02Å; L142-Y146 HydrophobicContact CD2-CE2 4.28Å; L142-Y146 VanDerWaalsContact O-CD2 3.3Å; L142-Y146 WeakPolarHBondContact O-CD2 3.49Å; L142-Y146 PolarHBondContact O-N 3.05Å
143E76.6Confident74.5Confident111 Ų111113 Ų11352%0.51959%0.588SS.*Hα-helixtrans-59.9-48.7175.3-172.3173.7-139.800110.3L139 F145 Y146 E147L139-E143 WeakPolarHBondContact O-CB 3.49Å; L139-E143 PolarHBondContact O-N 3.37Å; E143-F145 PolarHBondContact O-N 2.98Å; E143-F145 VanDerWaalsContact O-N 3.14Å; E143-Y146 PolarHBondContact O-N 3.31Å; E143-E147 HydrophobicContact CG-CB 4.34Å; E143-E147 WeakPolarHBondContact CG-OE2 3.34Å; E143-E147 WeakPolarHBondContact O-CA 3.45Å; E143-E147 WeakPolarHBondContact O-CB 3.37Å; E143-E147 PolarHBondContact O-N 3.23Å
144S73.1Confident72.9Confident47 Ų47115.8 Ų115.833%0.32959%0.594SS.*Hα-helixtrans-61-28.5176.2-63.80000114.2K140 K148K140-S144 WeakPolarHBondContact O-CB 3.35Å; K140-S144 PolarHBondContact O-N 3.43Å; K140-S144 PolarHBondContact O-OG 3.07Å; S144-K148 WeakPolarHBondContact O-CD 3.46Å
145F69.9Low71.5Confident131 Ų131119.6 Ų119.658%0.57561%0.609SS**Hα-helixtrans-85.9-31.4-176.8-175-94.2000112.7H141 L142 E143H141-F145 WeakPolarHBondContact O-CB 3.4Å; H141-F145 PolarHBondContact O-N 3.17Å; L142-F145 PolarHBondContact O-N 3.02Å; E143-F145 PolarHBondContact O-N 2.98Å; E143-F145 VanDerWaalsContact O-N 3.14Å
146Y65.7Low70.2Confident175 Ų175123 Ų12369%0.68663%0.625SS**Hα-helixtrans-108.3-20-176.9-69.4-71.2000114.6L142 E143L142-Y146 HydrophobicContact CD2-CE2 4.28Å; L142-Y146 VanDerWaalsContact O-CD2 3.3Å; L142-Y146 WeakPolarHBondContact O-CD2 3.49Å; L142-Y146 PolarHBondContact O-N 3.05Å; E143-Y146 PolarHBondContact O-N 3.31Å
147E67.1Low68.7Low139 Ų139124.5 Ų124.565%0.6563%0.633SS**THydrogen-bonded Turntrans-84.6-28.3177.6-161.8-176.9-15500111.6E143 P149E143-E147 HydrophobicContact CG-CB 4.34Å; E143-E147 WeakPolarHBondContact CG-OE2 3.34Å; E143-E147 WeakPolarHBondContact O-CA 3.45Å; E143-E147 WeakPolarHBondContact O-CB 3.37Å; E143-E147 PolarHBondContact O-N 3.23Å; E147-P149 WeakPolarHBondContact O-CD 3.19Å
148K69.9Low67.3Low144 Ų144126.5 Ų126.563%0.62664%0.643SS**SBendtrans-76.7112.1166.8-69.6177.7-171.51710107.6S144S144-K148 WeakPolarHBondContact O-CD 3.46Å
149P63.5Low66Low65 Ų65125.4 Ų125.442%0.42265%0.645SS.*  trans-57.8142.9176.722.2-30.1000109.3E147 I154E147-P149 WeakPolarHBondContact O-CD 3.19Å; P149-I154 HydrophobicContact CB-CD1 4.4Å; P149-I154 HydrophobicContact CB-CG1 4.47Å; P149-I154 HydrophobicContact CG-CD1 3.42Å; P149-I154 VanDerWaalsContact CG-CD1 3.42Å; P149-I154 HydrophobicContact CG-CG1 3.97Å
150P62.9Low65.3Low85 Ų85126.4 Ų126.455%0.55265%0.645SS**  trans-54.7135.5-178.318.9-29.8000110G152 L153P150-G152 PolarHBondContact O-N 3.25Å; P150-L153 HydrophobicContact CG-CB 4.41Å; P150-L153 HydrophobicContact CG-CD2 4.46Å; P150-L153 PolarHBondContact O-N 2.95Å
151P56.2Low64.4Low141 Ų141122.7 Ų122.792%0.91664%0.635SS**THydrogen-bonded Turntrans-58.6111.9-177.322.4-31.4000109
152G60.3Low63.9Low78 Ų78118 Ų11880%0.80461%0.613SS**THydrogen-bonded Turntrans124.4-6.4-177.700000116.5P150P150-G152 PolarHBondContact O-N 3.25Å
153L56.2Low63.4Low137 Ų137119 Ų11972%0.71762%0.619SS**SBendtrans-98.5-16.8-179.6-154.165.1000114.8P150P150-L153 HydrophobicContact CG-CB 4.41Å; P150-L153 HydrophobicContact CG-CD2 4.46Å; P150-L153 PolarHBondContact O-N 2.95Å
154I55.4Low63.2Low113 Ų113117.3 Ų117.358%0.57962%0.619SS**SBendtrans-87.9111.6165.2-56.8163.1000105.4P149 E156P149-I154 HydrophobicContact CB-CD1 4.4Å; P149-I154 HydrophobicContact CB-CG1 4.47Å; P149-I154 HydrophobicContact CG-CD1 3.42Å; P149-I154 VanDerWaalsContact CG-CD1 3.42Å; P149-I154 HydrophobicContact CG-CG1 3.97Å; I154-E156 PolarHBondContact O-N 3.1Å
155K59.8Low63.3Low196 Ų196115.4 Ų115.485%0.85261%0.605SS**  trans-63.392156.6-69.3174.7-176.8175.40104.7D157K155-D157 PolarHBondContact O-N 3.46Å
156E57.9Low63.6Low166 Ų166112.4 Ų112.478%0.77660%0.599SS**  trans-50.8116.8157.6-70.9175.9159.600103.8I154 E158I154-E156 PolarHBondContact O-N 3.1Å; E156-E158 PolarHBondContact O-N 3.45Å
157D54.5Low64Low147 Ų147110.7 Ų110.779%0.78660%0.601SS**  trans-43.4117.5172.5-74.9-47.3000105.7K155 T159K155-D157 PolarHBondContact O-N 3.46Å; D157-T159 WeakPolarHBondContact O-CA 3.44Å; D157-T159 WeakPolarHBondContact O-CG2 3.05Å; D157-T159 PolarHBondContact O-N 2.94Å
158E55.7Low64.4Low188 Ų188107.8 Ų107.888%0.87959%0.593SS**  trans-52.196.3-175.7-71.2176.6170.500106.8E156 K160E156-E158 PolarHBondContact O-N 3.45Å; E158-K160 PolarHBondContact O-N 3.36Å
159T58.2Low64.3Low107 Ų107106.4 Ų106.466%0.65660%0.599SS**  trans-63.6111.7-170.849.40000104.4D157D157-T159 WeakPolarHBondContact O-CA 3.44Å; D157-T159 WeakPolarHBondContact O-CG2 3.05Å; D157-T159 PolarHBondContact O-N 2.94Å
160K67.8Low64.7Low126 Ų126105.6 Ų105.655%0.54860%0.602SS.*  trans-64.1142.7-166.4-53.7179.5-175.71680107.2E158 E162 D163E158-K160 PolarHBondContact O-N 3.36Å; K160-E162 HydrophobicContact CB-CG 3.84Å; K160-E162 WeakPolarHBondContact CB-OE1 3.49Å; K160-E162 WeakPolarHBondContact CB-OE2 3.35Å; K160-E162 WeakPolarHBondContact CD-OE1 3.32Å; K160-E162 PolarHBondContact O-N 3.39Å; K160-D163 PolarHBondContact N-OD2 3.41Å; K160-D163 WeakPolarHBondContact O-CB 3.37Å; K160-D163 PolarHBondContact O-N 2.87Å
161P63.3Low65.3Low61 Ų61102 Ų10240%0.39658%0.579SS.*THydrogen-bonded Turntrans-57.3-19.9-171.421.7-33.1000114L178P161-L178 HydrophobicContact CB-CD1 4.48Å
162E68.8Low66.4Low27 Ų27100.9 Ų100.913%0.12656%0.561CS.*THydrogen-bonded Turntrans-66-30.2170.956.7-94.9-143.100115.3K160 C164 I165 R175 L178K160-E162 HydrophobicContact CB-CG 3.84Å; K160-E162 WeakPolarHBondContact CB-OE1 3.49Å; K160-E162 WeakPolarHBondContact CB-OE2 3.35Å; K160-E162 WeakPolarHBondContact CD-OE1 3.32Å; K160-E162 PolarHBondContact O-N 3.39Å; E162-C164 VanDerWaalsContact C-N 3.26Å; E162-C164 PolarHBondContact O-N 3.35Å; E162-I165 PolarHBondContact O-N 2.95Å; E162-I165 VanDerWaalsContact O-N 3.17Å; E162-R175 HydrophobicContact CB-CG 3.7Å; E162-L178 HydrophobicContact CB-CB 4.49Å
163D68.4Low67.1Low114 Ų114102.8 Ų102.861%0.6155%0.549SS*.THydrogen-bonded Turntrans-76.4-15.8-173.2-64.1-35.1000112.2K160 I165K160-D163 PolarHBondContact N-OD2 3.41Å; K160-D163 WeakPolarHBondContact O-CB 3.37Å; K160-D163 PolarHBondContact O-N 2.87Å; D163-I165 PolarHBondContact O-N 3.43Å
164C73.7Confident68Low77 Ų7796.6 Ų96.652%0.5252%0.518SS..THydrogen-bonded Turntrans-73.1-8171.2-61.40000113.2E162E162-C164 VanDerWaalsContact C-N 3.26Å; E162-C164 PolarHBondContact O-N 3.35Å
165I74.7Confident69.2Low7 Ų794 Ų944%0.03650%0.5CS..SBendtrans-107.7112-175.2-55.8-177.1000110.6E162 D163 N171 A174 R175 L178 Y205E162-I165 PolarHBondContact O-N 2.95Å; E162-I165 VanDerWaalsContact O-N 3.17Å; D163-I165 PolarHBondContact O-N 3.43Å; I165-N171 HydrophobicContact CG2-CB 3.59Å; I165-A174 HydrophobicContact CD1-CB 3.79Å; I165-R175 PolarHBondContact O-NH2 3.26Å; I165-L178 HydrophobicContact CD1-CD1 3.82Å; I165-Y205 HydrophobicContact CG1-CG 4.45Å; I165-Y205 HydrophobicContact CG2-CD2 4.13Å
166P76.6Confident70Confident67 Ų6790.3 Ų90.344%0.43549%0.486SS..  trans-61.5147.1-179.2-25.234.7000115.2V168 R175P166-V168 HydrophobicContact CB-CG2 4.06Å; P166-V168 PolarHBondContact O-N 2.86Å; P166-R175 PolarHBondContact O-NH2 2.87Å; P166-R175 VanDerWaalsContact O-NH2 3.15Å
167D73.8Confident70.8Confident139 Ų13985.3 Ų85.374%0.74346%0.462SS*.SBendtrans-6865.2176.9-74.3-35.4000113.8R175D167-R175 VanDerWaalsContact CA-NH2 3.26Å; D167-R175 VanDerWaalsContact N-NH2 3.17Å; D167-R175 IonicContact OD1-CZ 3.86Å; D167-R175 IonicContact OD1-NE 2.68Å; D167-R175 IonicContact OD1-NH1 2.64Å; D167-R175 PolarHBondContact OD1-NH1 2.86Å; D167-R175 IonicContact OD1-NH2 2.86Å; D167-R175 PolarHBondContact OD1-NH2 3.18Å
168V74.1Confident71.8Confident78 Ų7879.6 Ų79.647%0.47343%0.431SS..  trans-120.2137.2179.5-167.70000109.2P166 G170 N171P166-V168 HydrophobicContact CB-CG2 4.06Å; P166-V168 PolarHBondContact O-N 2.86Å; V168-G170 PolarHBondContact O-N 3.3Å; V168-G170 VanDerWaalsContact O-N 3.15Å; V168-N171 PolarHBondContact O-N 2.83Å; V168-N171 VanDerWaalsContact O-N 3.11Å
169P67.9Low72.9Confident115 Ų11573.2 Ų73.275%0.74741%0.411SS*.THydrogen-bonded Turntrans-56122.517921.4-33.9000110.6
170G71.8Confident73.7Confident48 Ų4875 Ų7550%0.49541%0.412SS..THydrogen-bonded Turntrans109.4-10.2-177.100000115.9V168V168-G170 PolarHBondContact O-N 3.3Å; V168-G170 VanDerWaalsContact O-N 3.15Å
171N76.8Confident73.6Confident11 Ų1170.3 Ų70.36%0.05940%0.396CS..SBendtrans-99.8-9.9169.9-76-12.9000113.2I165 V168 H173 A174 R175 Y205I165-N171 HydrophobicContact CG2-CB 3.59Å; V168-N171 PolarHBondContact O-N 2.83Å; V168-N171 VanDerWaalsContact O-N 3.11Å; N171-H173 PolarHBondContact O-N 3.37Å; N171-A174 PolarHBondContact O-N 2.98Å; N171-A174 VanDerWaalsContact O-N 3.07Å; N171-R175 PolarHBondContact O-N 3.32Å; N171-Y205 PolarHBondContact OD1-N 3.45Å
172E78.8Confident73.9Confident117 Ų11770.7 Ų70.755%0.54740%0.399SS..Hα-helixtrans-50.5-43.3180-67.5165.9-162.600112.3A174 R175 E176E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 3.49Å; E172-R175 PolarHBondContact O-N 2.89Å; E172-E176 WeakPolarHBondContact O-CB 3.26Å; E172-E176 PolarHBondContact O-N 3.48Å
173H74.9Confident73.5Confident117 Ų11775.9 Ų75.954%0.54243%0.432SS..Hα-helixtrans-64.2-36.1-178.6-169.651000113.4N171 F177N171-H173 PolarHBondContact O-N 3.37Å; H173-F177 VanDerWaalsContact O-CB 3.31Å; H173-F177 WeakPolarHBondContact O-CB 3.48Å; H173-F177 PolarHBondContact O-N 3.45Å; H173-F177 VanDerWaalsContact O-N 3.14Å
174A75.6Confident72.7Confident8 Ų880.1 Ų80.17%0.06645%0.445CS..Hα-helixtrans-72.4-34.6178.300000111.1I165 N171 E172 L178 V194I165-A174 HydrophobicContact CD1-CB 3.79Å; N171-A174 PolarHBondContact O-N 2.98Å; N171-A174 VanDerWaalsContact O-N 3.07Å; E172-A174 VanDerWaalsContact C-N 3.34Å; E172-A174 PolarHBondContact O-N 3.49Å; A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.86Å; A174-L178 VanDerWaalsContact O-N 3.17Å; A174-V194 HydrophobicContact CB-CG1 3.85Å
175R80.1Confident71.6Confident57 Ų5779.3 Ų79.322%0.21545%0.449CS..Hα-helixtrans-69.2-50175.9-165.9-174.3-61.2137.1-1.4112.1E162 I165 P166 D167 N171 E172 F177 L178 A179E162-R175 HydrophobicContact CB-CG 3.7Å; I165-R175 PolarHBondContact O-NH2 3.26Å; P166-R175 PolarHBondContact O-NH2 2.87Å; P166-R175 VanDerWaalsContact O-NH2 3.15Å; D167-R175 VanDerWaalsContact CA-NH2 3.26Å; D167-R175 VanDerWaalsContact N-NH2 3.17Å; D167-R175 IonicContact OD1-CZ 3.86Å; D167-R175 IonicContact OD1-NE 2.68Å; D167-R175 IonicContact OD1-NH1 2.64Å; D167-R175 PolarHBondContact OD1-NH1 2.86Å; D167-R175 IonicContact OD1-NH2 2.86Å; D167-R175 PolarHBondContact OD1-NH2 3.18Å; N171-R175 PolarHBondContact O-N 3.32Å; E172-R175 PolarHBondContact O-N 2.89Å; R175-F177 PolarHBondContact O-N 3.45Å; R175-L178 PolarHBondContact O-N 3.29Å; R175-A179 VanDerWaalsContact O-CB 3.32Å; R175-A179 WeakPolarHBondContact O-CB 3.23Å; R175-A179 PolarHBondContact O-N 3.31Å
176E76.9Confident70.8Confident119 Ų11987.6 Ų87.656%0.55649%0.493SS*.Hα-helixtrans-60.4-36.8179.8-169.2176-157.900110.9E172 H180E172-E176 WeakPolarHBondContact O-CB 3.26Å; E172-E176 PolarHBondContact O-N 3.48Å; E176-H180 PolarHBondContact O-N 2.9Å; E176-H180 PolarHBondContact O-ND1 3Å
177F74.3Confident69.4Low61 Ų6190.8 Ų90.827%0.26850%0.497SS..Hα-helixtrans-66.5-44.5174.9-175.7-95.6000113.1H173 R175 A181 V194H173-F177 VanDerWaalsContact O-CB 3.31Å; H173-F177 WeakPolarHBondContact O-CB 3.48Å; H173-F177 PolarHBondContact O-N 3.45Å; H173-F177 VanDerWaalsContact O-N 3.14Å; R175-F177 PolarHBondContact O-N 3.45Å; F177-A181 WeakPolarHBondContact O-CB 3.27Å; F177-A181 PolarHBondContact O-N 3.31Å; F177-A181 VanDerWaalsContact O-N 3.12Å; F177-V194 HydrophobicContact CB-CG2 4.22Å; F177-V194 HydrophobicContact CD1-CB 3.77Å; F177-V194 HydrophobicContact CD1-CG2 3.43Å; F177-V194 VanDerWaalsContact CD1-CG2 3.43Å; F177-V194 HydrophobicContact CD2-CG2 4.39Å; F177-V194 HydrophobicContact CE1-CB 4.05Å; F177-V194 HydrophobicContact CE1-CG2 3.8Å; F177-V194 HydrophobicContact CG-CG2 3.75Å; F177-V194 HydrophobicContact CZ-CG2 4.42Å
178L75.8Confident68.5Low27 Ų2788.7 Ų88.714%0.14148%0.483CS..Hα-helixtrans-71.3-36.7179.4-70.9171.8000112.4P161 E162 I165 A174 R175 H180 A181 V196P161-L178 HydrophobicContact CB-CD1 4.48Å; E162-L178 HydrophobicContact CB-CB 4.49Å; I165-L178 HydrophobicContact CD1-CD1 3.82Å; A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.86Å; A174-L178 VanDerWaalsContact O-N 3.17Å; R175-L178 PolarHBondContact O-N 3.29Å; L178-H180 VanDerWaalsContact C-N 3.27Å; L178-H180 PolarHBondContact O-N 3.49Å; L178-A181 PolarHBondContact O-N 2.84Å; L178-V196 HydrophobicContact CD1-CG2 4.39Å
179A77.8Confident67.1Low54 Ų5487.9 Ų87.945%0.44648%0.48SS..Hα-helixtrans-64.4-30178.100000113.2R175R175-A179 VanDerWaalsContact O-CB 3.32Å; R175-A179 WeakPolarHBondContact O-CB 3.23Å; R175-A179 PolarHBondContact O-N 3.31Å
180H75.6Confident66.3Low146 Ų14689.5 Ų89.568%0.67648%0.481SS*.THydrogen-bonded Turntrans-100.3-1.9178-62.686.5000113.1E176 L178E176-H180 PolarHBondContact O-N 2.9Å; E176-H180 PolarHBondContact O-ND1 3Å; L178-H180 VanDerWaalsContact C-N 3.27Å; L178-H180 PolarHBondContact O-N 3.49Å
181A66.8Low65.5Low26 Ų2690.6 Ų90.622%0.21549%0.492CS..SBendtrans-74.2130.8179.500000109.9F177 L178 T183F177-A181 WeakPolarHBondContact O-CB 3.27Å; F177-A181 PolarHBondContact O-N 3.31Å; F177-A181 VanDerWaalsContact O-N 3.12Å; L178-A181 PolarHBondContact O-N 2.84Å; A181-T183 PolarHBondContact O-N 3.18Å; A181-T183 VanDerWaalsContact O-N 3.16Å
182P68.7Low64.6Low70 Ų7096.6 Ų96.646%0.45552%0.518SS..  trans-53.2123169.4-24.234.6000110.1K184 W187P182-K184 PolarHBondContact O-N 3.03Å; P182-W187 HydrophobicContact CG-CD2 4.07Å; P182-W187 HydrophobicContact CG-CE3 3.85Å; P182-W187 HydrophobicContact CG-CH2 4.33Å; P182-W187 HydrophobicContact CG-CZ3 3.97Å
183T59.7Low63.8Low136 Ų13696.5 Ų96.583%0.83452%0.517SS*.SBendtrans-68.5-7.5-1698.30000114.7A181A181-T183 PolarHBondContact O-N 3.18Å; A181-T183 VanDerWaalsContact O-N 3.16Å
184K51.7Low63.2Low203 Ų20392.5 Ų92.588%0.88350%0.501SS*.SBendtrans-122.590.7-176.4-65.6-175.1-178.2175.70110.8P182P182-K184 PolarHBondContact O-N 3.03Å
185G52Low62.9Low59 Ų5995.1 Ų95.161%0.60851%0.511SS*.SBendtrans127.6141.8170.600000112.4W187G185-W187 PolarHBondContact O-N 3.04Å
186L56.6Low62.2Low181 Ų18196.4 Ų96.495%0.94853%0.525SS*.  trans-6180169.2-176.166.9000108.8M188L186-M188 PolarHBondContact O-N 3.17Å; L186-M188 VanDerWaalsContact O-N 3.14Å
187W48.2Very low61.7Low135 Ų13594.5 Ų94.551%0.51152%0.517SS..  trans-81.897.7-174.2-172.345.8000109.6P182 G185 P189P182-W187 HydrophobicContact CG-CD2 4.07Å; P182-W187 HydrophobicContact CG-CE3 3.85Å; P182-W187 HydrophobicContact CG-CH2 4.33Å; P182-W187 HydrophobicContact CG-CZ3 3.97Å; G185-W187 PolarHBondContact O-N 3.04Å; W187-P189 VanDerWaalsContact C-CD 3.46Å; W187-P189 HydrophobicContact CD2-CB 4.42Å; W187-P189 HydrophobicContact CD2-CG 3.64Å; W187-P189 HydrophobicContact CE3-CG 4.18Å; W187-P189 HydrophobicContact CG-CG 4.09Å; W187-P189 HydrophobicContact CH2-CG 4.16Å; W187-P189 HydrophobicContact CZ2-CB 4.04Å; W187-P189 HydrophobicContact CZ2-CG 3.55Å; W187-P189 HydrophobicContact CZ3-CG 4.44Å; W187-P189 VanDerWaalsContact NE1-CB 3.31Å; W187-P189 WeakPolarHBondContact O-CD 3.38Å
188M54.1Low61.9Low95 Ų9595.9 Ų95.947%0.46852%0.524SS..  trans-104.694.4159.8-98.7-106.1-76.700108.5L186 E193L186-M188 PolarHBondContact O-N 3.17Å; L186-M188 VanDerWaalsContact O-N 3.14Å; M188-E193 HydrophobicContact CE-CG 3.62Å; M188-E193 WeakPolarHBondContact CE-OE1 3.31Å; M188-E193 HydrophobicContact CG-CG 3.92Å; M188-E193 HydrophobicContact SD-CB 4.35Å; M188-E193 HydrophobicContact SD-CG 3.19Å; M188-E193 WeakPolarHBondContact SD-CG 3.37Å
189P46.1Very low62.2Low61 Ų6194.6 Ų94.640%0.39652%0.517SS..SBendtrans-100.9-14.8169.739.3-39.1000113.9W187W187-P189 VanDerWaalsContact C-CD 3.46Å; W187-P189 HydrophobicContact CD2-CB 4.42Å; W187-P189 HydrophobicContact CD2-CG 3.64Å; W187-P189 HydrophobicContact CE3-CG 4.18Å; W187-P189 HydrophobicContact CG-CG 4.09Å; W187-P189 HydrophobicContact CH2-CG 4.16Å; W187-P189 HydrophobicContact CZ2-CB 4.04Å; W187-P189 HydrophobicContact CZ2-CG 3.55Å; W187-P189 HydrophobicContact CZ3-CG 4.44Å; W187-P189 VanDerWaalsContact NE1-CB 3.31Å; W187-P189 WeakPolarHBondContact O-CD 3.38Å
190L49.3Very low62.2Low149 Ų149101.4 Ų101.478%0.7853%0.532SS*.SBendtrans-137.720.5-165.6-70.5172.4000114.5K192L190-K192 PolarHBondContact O-N 3.38Å
191G55.1Low62.1Low70 Ų7098.6 Ų98.672%0.72252%0.515SS*.SBendtrans65.79174.200000115.8
192K58.2Low62.6Low137 Ų13798.3 Ų98.360%0.59651%0.511SS*.  trans-102.996.4171.6-67.9-174.6-179.4-179.30109.1L190 V194L190-K192 PolarHBondContact O-N 3.38Å; K192-V194 PolarHBondContact O-N 3.04Å
193E62.6Low63.1Low115 Ų11599.3 Ų99.354%0.53751%0.509SS..  trans-81.5106.5171.8-66.9179.9-176.900109.5M188 K195M188-E193 HydrophobicContact CE-CG 3.62Å; M188-E193 WeakPolarHBondContact CE-OE1 3.31Å; M188-E193 HydrophobicContact CG-CG 3.92Å; M188-E193 HydrophobicContact SD-CB 4.35Å; M188-E193 HydrophobicContact SD-CG 3.19Å; M188-E193 WeakPolarHBondContact SD-CG 3.37Å; E193-K195 PolarHBondContact O-N 3.36Å
194V62.4Low63.8Low34 Ų3497 Ų9721%0.20649%0.485CS..  trans-85.599168.4-1770000107.9A174 F177 K192A174-V194 HydrophobicContact CB-CG1 3.85Å; F177-V194 HydrophobicContact CB-CG2 4.22Å; F177-V194 HydrophobicContact CD1-CB 3.77Å; F177-V194 HydrophobicContact CD1-CG2 3.43Å; F177-V194 VanDerWaalsContact CD1-CG2 3.43Å; F177-V194 HydrophobicContact CD2-CG2 4.39Å; F177-V194 HydrophobicContact CE1-CB 4.05Å; F177-V194 HydrophobicContact CE1-CG2 3.8Å; F177-V194 HydrophobicContact CG-CG2 3.75Å; F177-V194 HydrophobicContact CZ-CG2 4.42Å; K192-V194 PolarHBondContact O-N 3.04Å
195K68.3Low65Low63 Ų6390 Ų9027%0.27445%0.453SS..EExtended strand (participates in β ladder)trans-73.8126.6174.6-66.9170.8-172.6158.80109.1E193 M197 G206 R208 D211E193-K195 PolarHBondContact O-N 3.36Å; K195-M197 PolarHBondContact O-N 2.94Å; K195-G206 PolarHBondContact N-O 3.45Å; K195-G206 CarbonylContact O-C 3.55Å; K195-G206 WeakPolarHBondContact O-CA 3.14Å; K195-G206 PolarHBondContact O-N 3.39Å; K195-R208 HydrophobicContact CD-CG 4.21Å; K195-D211 IonicContact NZ-OD2 3.24Å; K195-D211 PolarHBondContact NZ-OD2 3.11Å
196V66Low66.2Low83 Ų8388 Ų8850%0.50343%0.433SS..EExtended strand (participates in β ladder)trans-74.947.8171.4-1640000110.5L178L178-V196 HydrophobicContact CD1-CG2 4.39Å
197M67.1Low67.1Low79 Ų7979.8 Ų79.839%0.38939%0.389SS..EExtended strand (participates in β ladder)trans-126.1140.7173.4-61.2-166.2-15.900108.9K195 G206 R208K195-M197 PolarHBondContact O-N 2.94Å; M197-G206 PolarHBondContact O-N 3.37Å; M197-R208 HydrophobicContact CE-CG 3.47Å; M197-R208 VanDerWaalsContact CE-CG 3.47Å
198Q77.8Confident68.5Low90 Ų9079.6 Ų79.642%0.42139%0.389SS..EExtended strand (participates in β ladder)trans-82.5127.2175.8-161.6-179.240.800110.1W200 K203 Y205Q198-W200 PolarHBondContact O-N 3.49Å; Q198-K203 WeakPolarHBondContact CG-O 3.23Å; Q198-K203 PolarHBondContact NE2-O 3.32Å; Q198-Y205 HydrophobicContact CB-CD1 4.02Å; Q198-Y205 HydrophobicContact CB-CE1 3.68Å; Q198-Y205 HydrophobicContact CB-CE2 4.39Å; Q198-Y205 HydrophobicContact CG-CD2 4.35Å; Q198-Y205 HydrophobicContact CG-CE1 4.26Å; Q198-Y205 HydrophobicContact CG-CE2 4.06Å
199C82.1Confident69.4Low0 Ų078.3 Ų78.30%039%0.386CS..  trans-66.8127.9170.6177.10000110R201 K203 R204 H207C199-R201 VanDerWaalsContact C-N 3.3Å; C199-R201 PolarHBondContact O-N 3.11Å; C199-K203 WeakPolarHBondContact O-CA 3.36Å; C199-K203 PolarHBondContact O-N 2.88Å; C199-R204 WeakPolarHBondContact CB-O 3.42Å; C199-R204 PolarHBondContact N-O 2.63Å; C199-H207 VanDerWaalsContact CB-NE2 3.3Å; C199-H207 WeakPolarHBondContact CB-NE2 3.25Å; C199-H207 WeakPolarHBondContact CB-O 3.3Å; C199-H207 PolarHBondContact SG-NE2 3.14Å; C199-H207 VanDerWaalsContact SG-NE2 3.35Å
200W78.9Confident70.5Confident198 Ų19877.1 Ų77.175%0.7539%0.385SS*.THydrogen-bonded Turntrans-67.2-32.2-179.7-171.5-108.5000112.6Q198 K203 T209Q198-W200 PolarHBondContact O-N 3.49Å; W200-K203 VanDerWaalsContact O-CE 3.23Å; W200-K203 WeakPolarHBondContact O-CE 3.46Å; W200-K203 PolarHBondContact O-NZ 2.95Å; W200-T209 PolarHBondContact N-OG1 3.26Å; W200-T209 VanDerWaalsContact N-OG1 3.14Å
201R73Confident71.8Confident86 Ų8672.2 Ų72.233%0.32536%0.36SS..THydrogen-bonded Turntrans-72.7-48.4-178.8-85.2-178.1173.3-175.2-5.2113.3C199 T209 F216 E225C199-R201 VanDerWaalsContact C-N 3.3Å; C199-R201 PolarHBondContact O-N 3.11Å; R201-T209 HydrophobicContact CB-CG2 4.3Å; R201-T209 HydrophobicContact CG-CG2 3.65Å; R201-F216 HydrophobicContact CB-CD2 4.19Å; R201-F216 WeakPolarHBondContact O-CE2 3.32Å; R201-E225 IonicContact CZ-OE2 2.63Å; R201-E225 IonicContact NH1-OE2 3.77Å; R201-E225 PolarHBondContact NH1-OE2 3.45Å; R201-E225 IonicContact NH2-OE2 3.42Å; R201-E225 PolarHBondContact NH2-OE2 2.86Å
202C76.7Confident72.5Confident20 Ų2076.1 Ų76.114%0.13536%0.357CS..THydrogen-bonded Turntrans-110.8-0.1-175.573.80000115R204 H207 P215 F216C202-R204 PolarHBondContact O-N 3.32Å; C202-H207 PolarHBondContact SG-CE1 2.72Å; C202-H207 PolarHBondContact SG-NE2 3.45Å; C202-P215 HydrophobicContact CB-CG 4.03Å; C202-F216 HydrophobicContact CB-CD2 3.51Å; C202-F216 HydrophobicContact CB-CE2 3.57Å
203K78.7Confident73.2Confident91 Ų9176.7 Ų76.740%0.39636%0.362SS..  trans56.413.5179.2-53-60.4-174.9175.30114.8Q198 C199 W200Q198-K203 WeakPolarHBondContact CG-O 3.23Å; Q198-K203 PolarHBondContact NE2-O 3.32Å; C199-K203 WeakPolarHBondContact O-CA 3.36Å; C199-K203 PolarHBondContact O-N 2.88Å; W200-K203 VanDerWaalsContact O-CE 3.23Å; W200-K203 WeakPolarHBondContact O-CE 3.46Å; W200-K203 PolarHBondContact O-NZ 2.95Å
204R75.4Confident73.9Confident88 Ų8871.2 Ų71.233%0.33234%0.336SS..  trans-89.3143.8173.9-65.3-166.2-97.5137.5101.1110.3C199 C202 P215C199-R204 WeakPolarHBondContact CB-O 3.42Å; C199-R204 PolarHBondContact N-O 2.63Å; C202-R204 PolarHBondContact O-N 3.32Å; R204-P215 VanDerWaalsContact CZ-CD 3.45Å; R204-P215 VanDerWaalsContact CZ-CG 3.4Å
205Y75.8Confident74.6Confident56 Ų5671.6 Ų71.622%0.2234%0.339CS..EExtended strand (participates in β ladder)trans-78.9164172-69.5-91.4000110.6I165 N171 Q198I165-Y205 HydrophobicContact CG1-CG 4.45Å; I165-Y205 HydrophobicContact CG2-CD2 4.13Å; N171-Y205 PolarHBondContact OD1-N 3.45Å; Q198-Y205 HydrophobicContact CB-CD1 4.02Å; Q198-Y205 HydrophobicContact CB-CE1 3.68Å; Q198-Y205 HydrophobicContact CB-CE2 4.39Å; Q198-Y205 HydrophobicContact CG-CD2 4.35Å; Q198-Y205 HydrophobicContact CG-CE1 4.26Å; Q198-Y205 HydrophobicContact CG-CE2 4.06Å
206G77.1Confident74.7Confident18 Ų1873.7 Ų73.719%0.18635%0.349CS..EExtended strand (participates in β ladder)trans102.4-15.617600000115.6K195 M197K195-G206 PolarHBondContact N-O 3.45Å; K195-G206 CarbonylContact O-C 3.55Å; K195-G206 WeakPolarHBondContact O-CA 3.14Å; K195-G206 PolarHBondContact O-N 3.39Å; M197-G206 PolarHBondContact O-N 3.37Å
207H77.1Confident74.9Confident7 Ų774.1 Ų74.13%0.03234%0.344CS..SBendtrans-152.5162.6-177.270.2-80.7000113.1C199 C202 D211 E213 C214C199-H207 VanDerWaalsContact CB-NE2 3.3Å; C199-H207 WeakPolarHBondContact CB-NE2 3.25Å; C199-H207 WeakPolarHBondContact CB-O 3.3Å; C199-H207 PolarHBondContact SG-NE2 3.14Å; C199-H207 VanDerWaalsContact SG-NE2 3.35Å; C202-H207 PolarHBondContact SG-CE1 2.72Å; C202-H207 PolarHBondContact SG-NE2 3.45Å; H207-D211 HydrophobicContact CB-CB 3.93Å; H207-E213 HydrophobicContact CB-CB 4.15Å; H207-C214 WeakPolarHBondContact NE2-CA 3.21Å; H207-C214 WeakPolarHBondContact NE2-CB 3.34Å
208R76.2Confident74.9Confident131 Ų13177 Ų7749%0.49436%0.359SS..  trans-92.7159.1177.2-66.5-172.8-178.3-150-3.8112.3K195 M197 G210 D211K195-R208 HydrophobicContact CD-CG 4.21Å; M197-R208 HydrophobicContact CE-CG 3.47Å; M197-R208 VanDerWaalsContact CE-CG 3.47Å; R208-G210 PolarHBondContact O-N 2.86Å; R208-D211 PolarHBondContact N-OD2 2.67Å; R208-D211 PolarHBondContact O-N 3.03Å
209T73.4Confident74.5Confident69 Ų6981.9 Ų81.942%0.42338%0.379SS..THydrogen-bonded Turntrans-61.1101.9168.3-52.70000109.6W200 R201W200-T209 PolarHBondContact N-OG1 3.26Å; W200-T209 VanDerWaalsContact N-OG1 3.14Å; R201-T209 HydrophobicContact CB-CG2 4.3Å; R201-T209 HydrophobicContact CG-CG2 3.65Å
210G69.3Low73.7Confident36 Ų3682.9 Ų82.937%0.37139%0.39SS..THydrogen-bonded Turntrans119.9-9-176.600000114.7R208 F217R208-G210 PolarHBondContact O-N 2.86Å; G210-F217 WeakPolarHBondContact O-CE2 3.36Å
211D76.8Confident73.3Confident46 Ų4677.8 Ų77.825%0.24638%0.377CS..  trans-69.3146.9172-71.5-12.8000110.3K195 H207 R208 E213 C214 F217K195-D211 IonicContact NZ-OD2 3.24Å; K195-D211 PolarHBondContact NZ-OD2 3.11Å; H207-D211 HydrophobicContact CB-CB 3.93Å; R208-D211 PolarHBondContact N-OD2 2.67Å; R208-D211 PolarHBondContact O-N 3.03Å; D211-E213 PolarHBondContact O-N 2.76Å; D211-E213 VanDerWaalsContact O-N 3.16Å; D211-C214 VanDerWaalsContact O-CB 3.23Å; D211-C214 WeakPolarHBondContact O-CB 3.45Å; D211-C214 PolarHBondContact O-N 3.16Å; D211-F217 WeakPolarHBondContact O-CB 3.15Å
212K70.7Confident73.3Confident151 Ų15180.4 Ų80.466%0.65739%0.393SS*.THydrogen-bonded Turntrans-59.8-26.3179.1-65.6172.5-176.1-780112.8C214 F217 I218K212-C214 PolarHBondContact O-N 3.42Å; K212-F217 HydrophobicContact CB-CD1 4.39Å; K212-F217 HydrophobicContact CB-CE1 4.39Å; K212-F217 HydrophobicContact CG-CD1 4.33Å; K212-F217 HydrophobicContact CG-CE1 3.85Å; K212-F217 HydrophobicContact CG-CZ 4.47Å; K212-I218 WeakPolarHBondContact O-CD1 3.05Å
213E72.4Confident73.2Confident149 Ų14986.4 Ų86.470%0.69642%0.417SS*.THydrogen-bonded Turntrans-71-13.4176.7-55.5-53.3135.200113.2H207 D211 P215H207-E213 HydrophobicContact CB-CB 4.15Å; D211-E213 PolarHBondContact O-N 2.76Å; D211-E213 VanDerWaalsContact O-N 3.16Å; E213-P215 WeakPolarHBondContact O-CD 3.33Å
214C77.6Confident72.9Confident1 Ų187.4 Ų87.41%0.00743%0.426CS..  trans-71.7122.9175.4-174.40000109.8H207 D211 K212 F216 F217H207-C214 WeakPolarHBondContact NE2-CA 3.21Å; H207-C214 WeakPolarHBondContact NE2-CB 3.34Å; D211-C214 VanDerWaalsContact O-CB 3.23Å; D211-C214 WeakPolarHBondContact O-CB 3.45Å; D211-C214 PolarHBondContact O-N 3.16Å; K212-C214 PolarHBondContact O-N 3.42Å; C214-F216 PolarHBondContact O-N 3.22Å; C214-F216 VanDerWaalsContact O-N 3.15Å; C214-F217 HydrophobicContact CB-CB 3.93Å; C214-F217 WeakPolarHBondContact O-CA 3.41Å; C214-F217 WeakPolarHBondContact O-CB 3.18Å; C214-F217 PolarHBondContact O-N 3.12Å
215P77.1Confident72.9Confident42 Ų4285.9 Ų85.927%0.27342%0.423SS..Hα-helixtrans-62.6-27.2179.322.4-34.1000111.2C202 R204 E213 F217 K219C202-P215 HydrophobicContact CB-CG 4.03Å; R204-P215 VanDerWaalsContact CZ-CD 3.45Å; R204-P215 VanDerWaalsContact CZ-CG 3.4Å; E213-P215 WeakPolarHBondContact O-CD 3.33Å; P215-F217 VanDerWaalsContact C-N 3.27Å; P215-F217 PolarHBondContact O-N 3.34Å; P215-K219 WeakPolarHBondContact O-CA 3.11Å; P215-K219 WeakPolarHBondContact O-CB 3Å; P215-K219 PolarHBondContact O-N 3.34Å
216F68.8Low73Confident107 Ų10787.7 Ų87.747%0.46943%0.433SS..Hα-helixtrans-80-3.7172.7-62.9-60000114.2R201 C202 C214 G220R201-F216 HydrophobicContact CB-CD2 4.19Å; R201-F216 WeakPolarHBondContact O-CE2 3.32Å; C202-F216 HydrophobicContact CB-CD2 3.51Å; C202-F216 HydrophobicContact CB-CE2 3.57Å; C214-F216 PolarHBondContact O-N 3.22Å; C214-F216 VanDerWaalsContact O-N 3.15Å; F216-G220 VanDerWaalsContact O-CA 3.25Å; F216-G220 WeakPolarHBondContact O-CA 3.14Å; F216-G220 PolarHBondContact O-N 3.06Å
217F71.4Confident72.9Confident91 Ų9192.8 Ų92.840%0.39945%0.45SS..Hα-helixtrans-83.6-43.6170.9-174.8-94.1000111.4G210 D211 K212 C214 P215G210-F217 WeakPolarHBondContact O-CE2 3.36Å; D211-F217 WeakPolarHBondContact O-CB 3.15Å; K212-F217 HydrophobicContact CB-CD1 4.39Å; K212-F217 HydrophobicContact CB-CE1 4.39Å; K212-F217 HydrophobicContact CG-CD1 4.33Å; K212-F217 HydrophobicContact CG-CE1 3.85Å; K212-F217 HydrophobicContact CG-CZ 4.47Å; C214-F217 HydrophobicContact CB-CB 3.93Å; C214-F217 WeakPolarHBondContact O-CA 3.41Å; C214-F217 WeakPolarHBondContact O-CB 3.18Å; C214-F217 PolarHBondContact O-N 3.12Å; P215-F217 VanDerWaalsContact C-N 3.27Å; P215-F217 PolarHBondContact O-N 3.34Å
218I66.6Low73Confident140 Ų14097.9 Ų97.972%0.71847%0.469SS*.Hα-helixtrans-89.5-41.8-179.9-55178.8000111.6K212K212-I218 WeakPolarHBondContact O-CD1 3.05Å
219K68.6Low73.4Confident192 Ų19294.4 Ų94.484%0.83546%0.462SS*.SBendtrans-103.5-5.6-173.9-157.5169.4-177.7176.70113.2P215P215-K219 WeakPolarHBondContact O-CA 3.11Å; P215-K219 WeakPolarHBondContact O-CB 3Å; P215-K219 PolarHBondContact O-N 3.34Å
220G66.5Low73.8Confident21 Ų2192.5 Ų92.522%0.21645%0.453CS..SBendtrans-81.8159.3-17900000113.7F216 Q222F216-G220 VanDerWaalsContact O-CA 3.25Å; F216-G220 WeakPolarHBondContact O-CA 3.14Å; F216-G220 PolarHBondContact O-N 3.06Å; G220-Q222 PolarHBondContact O-N 3.31Å
221N69.9Low74.3Confident92 Ų9298.4 Ų98.449%0.49247%0.471SS..  trans-52.393.2-172.2-172.9-6.9000112.7K223 L224 E225N221-K223 PolarHBondContact O-N 3.33Å; N221-K223 VanDerWaalsContact O-N 3.07Å; N221-K223 WeakPolarHBondContact OD1-CB 3.35Å; N221-K223 PolarHBondContact OD1-N 3.16Å; N221-L224 HydrophobicContact CB-CB 4.18Å; N221-L224 HydrophobicContact CB-CD1 4.07Å; N221-L224 HydrophobicContact CB-CG 4.34Å; N221-L224 VanDerWaalsContact ND2-CD1 3.28Å; N221-L224 WeakPolarHBondContact ND2-CD1 3.46Å; N221-L224 WeakPolarHBondContact ND2-CG 3.45Å; N221-L224 PolarHBondContact O-N 3.45Å; N221-L224 PolarHBondContact OD1-N 3.36Å; N221-E225 PolarHBondContact O-N 2.96Å; N221-E225 VanDerWaalsContact O-N 3.11Å
222Q73Confident74.4Confident141 Ų141101.3 Ų101.366%0.65948%0.483SS*.Hα-helixtrans-56.8-27.8-178.8-161.1179.12500112.1G220 E225 Q226G220-Q222 PolarHBondContact O-N 3.31Å; Q222-E225 PolarHBondContact O-N 3.03Å; Q222-Q226 VanDerWaalsContact O-CB 3.3Å; Q222-Q226 WeakPolarHBondContact O-CB 3.48Å; Q222-Q226 WeakPolarHBondContact O-CG 3.38Å; Q222-Q226 PolarHBondContact O-N 3.31Å
223K74.7Confident75.1Confident146 Ų14696.9 Ų96.964%0.63547%0.467SS*.Hα-helixtrans-65.9-48174.7-60.5-180178.6177.80110.7N221 E225 Q226 F227N221-K223 PolarHBondContact O-N 3.33Å; N221-K223 VanDerWaalsContact O-N 3.07Å; N221-K223 WeakPolarHBondContact OD1-CB 3.35Å; N221-K223 PolarHBondContact OD1-N 3.16Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 3.22Å; K223-Q226 PolarHBondContact O-N 3.48Å; K223-F227 HydrophobicContact CB-CD2 4.46Å; K223-F227 HydrophobicContact CB-CE2 4.33Å; K223-F227 WeakPolarHBondContact O-CD2 3.18Å; K223-F227 PolarHBondContact O-N 2.74Å
224L72.1Confident75.6Confident111 Ų11195.6 Ų95.658%0.58147%0.471SS*.Hα-helixtrans-62.9-37.3176.9-80172.1000112.1N221 F227 R228N221-L224 HydrophobicContact CB-CB 4.18Å; N221-L224 HydrophobicContact CB-CD1 4.07Å; N221-L224 HydrophobicContact CB-CG 4.34Å; N221-L224 VanDerWaalsContact ND2-CD1 3.28Å; N221-L224 WeakPolarHBondContact ND2-CD1 3.46Å; N221-L224 WeakPolarHBondContact ND2-CG 3.45Å; N221-L224 PolarHBondContact O-N 3.45Å; N221-L224 PolarHBondContact OD1-N 3.36Å; L224-F227 PolarHBondContact O-N 2.85Å; L224-R228 PolarHBondContact O-N 3.11Å
225E75.6Confident76Confident57 Ų57100 Ų10027%0.26649%0.493SS..Hα-helixtrans-68-40.9175.5-162.962.2-135.400111.4R201 N221 Q222 K223 F227 R228 V229R201-E225 IonicContact CZ-OE2 2.63Å; R201-E225 IonicContact NH1-OE2 3.77Å; R201-E225 PolarHBondContact NH1-OE2 3.45Å; R201-E225 IonicContact NH2-OE2 3.42Å; R201-E225 PolarHBondContact NH2-OE2 2.86Å; N221-E225 PolarHBondContact O-N 2.96Å; N221-E225 VanDerWaalsContact O-N 3.11Å; Q222-E225 PolarHBondContact O-N 3.03Å; K223-E225 VanDerWaalsContact C-N 3.29Å; K223-E225 PolarHBondContact O-N 3.22Å; E225-F227 VanDerWaalsContact C-N 3.34Å; E225-F227 PolarHBondContact O-N 2.85Å; E225-R228 PolarHBondContact O-N 2.86Å; E225-R228 IonicContact OE1-NE 3.35Å; E225-V229 WeakPolarHBondContact O-CB 3.35Å; E225-V229 VanDerWaalsContact O-CG2 3.25Å; E225-V229 WeakPolarHBondContact O-CG2 2.97Å; E225-V229 PolarHBondContact O-N 3.17Å
226Q77.2Confident76.4Confident93 Ų93100.9 Ų100.944%0.43549%0.491SS..Hα-helixtrans-63.3-38.7173.4-75.2168.812.900112.2Q222 K223 A230Q222-Q226 VanDerWaalsContact O-CB 3.3Å; Q222-Q226 WeakPolarHBondContact O-CB 3.48Å; Q222-Q226 WeakPolarHBondContact O-CG 3.38Å; Q222-Q226 PolarHBondContact O-N 3.31Å; K223-Q226 PolarHBondContact O-N 3.48Å; Q226-A230 WeakPolarHBondContact O-CB 3.39Å; Q226-A230 PolarHBondContact O-N 3.17Å
227F76.7Confident77.2Confident126 Ų126100 Ų10055%0.55349%0.492SS*.Hα-helixtrans-64-46.3173.9-79.8-68000111.2K223 L224 E225 A230 H231K223-F227 HydrophobicContact CB-CD2 4.46Å; K223-F227 HydrophobicContact CB-CE2 4.33Å; K223-F227 WeakPolarHBondContact O-CD2 3.18Å; K223-F227 PolarHBondContact O-N 2.74Å; L224-F227 PolarHBondContact O-N 2.85Å; E225-F227 VanDerWaalsContact C-N 3.34Å; E225-F227 PolarHBondContact O-N 2.85Å; F227-A230 PolarHBondContact O-N 3.31Å; F227-H231 WeakPolarHBondContact O-CB 3.38Å; F227-H231 PolarHBondContact O-CD2 3.33Å; F227-H231 VanDerWaalsContact O-CD2 3.23Å; F227-H231 PolarHBondContact O-N 3.31Å
228R79.4Confident78Confident114 Ų11499.9 Ų99.943%0.4349%0.494SS..Hα-helixtrans-57.2-53.5174.4-108.3-172.353.693.59.6111.4L224 E225 A230 H231 E232L224-R228 PolarHBondContact O-N 3.11Å; E225-R228 PolarHBondContact O-N 2.86Å; E225-R228 IonicContact OE1-NE 3.35Å; R228-A230 VanDerWaalsContact C-N 3.27Å; R228-A230 PolarHBondContact O-N 3.14Å; R228-H231 PolarHBondContact O-N 2.8Å; R228-E232 WeakPolarHBondContact CG-OE1 3.25Å; R228-E232 IonicContact CZ-OE1 3.45Å; R228-E232 IonicContact CZ-OE2 2.67Å; R228-E232 IonicContact NE-OE1 2.85Å; R228-E232 IonicContact NE-OE2 3.2Å; R228-E232 IonicContact NH1-OE1 2.77Å; R228-E232 PolarHBondContact NH1-OE1 3.21Å; R228-E232 IonicContact NH1-OE2 2.71Å; R228-E232 PolarHBondContact NH1-OE2 3.49Å; R228-E232 IonicContact NH2-OE1 3.21Å; R228-E232 IonicContact NH2-OE2 3.97Å; R228-E232 PolarHBondContact NH2-OE2 2.87Å; R228-E232 WeakPolarHBondContact O-CB 3.44Å; R228-E232 WeakPolarHBondContact O-CG 3.3Å; R228-E232 PolarHBondContact O-N 3.2Å
229V83.6Confident79Confident57 Ų5797.5 Ų97.535%0.34548%0.482SS..Hα-helixtrans-60.5-39.4-179.2174.70000110.7E225 H231 D233 Y236E225-V229 WeakPolarHBondContact O-CB 3.35Å; E225-V229 VanDerWaalsContact O-CG2 3.25Å; E225-V229 WeakPolarHBondContact O-CG2 2.97Å; E225-V229 PolarHBondContact O-N 3.17Å; V229-H231 PolarHBondContact O-N 2.87Å; V229-D233 VanDerWaalsContact O-CB 3.23Å; V229-D233 WeakPolarHBondContact O-CB 3.49Å; V229-D233 PolarHBondContact O-N 3.25Å; V229-D233 VanDerWaalsContact O-N 3.11Å; V229-Y236 HydrophobicContact CG1-CD2 3.57Å; V229-Y236 HydrophobicContact CG1-CE2 3.68Å; V229-Y236 HydrophobicContact CG1-CG 4.49Å
230A81.9Confident80Confident29 Ų2993 Ų9324%0.2446%0.459CS..Hα-helixtrans-68.8-32.8178.900000114.4Q226 F227 R228 Y236Q226-A230 WeakPolarHBondContact O-CB 3.39Å; Q226-A230 PolarHBondContact O-N 3.17Å; F227-A230 PolarHBondContact O-N 3.31Å; R228-A230 VanDerWaalsContact C-N 3.27Å; R228-A230 PolarHBondContact O-N 3.14Å; A230-Y236 HydrophobicContact CB-CD1 3.54Å; A230-Y236 HydrophobicContact CB-CE1 3.43Å; A230-Y236 VanDerWaalsContact CB-CE1 3.43Å; A230-Y236 HydrophobicContact CB-CG 4.34Å
231H80.2Confident81.1Confident161 Ų16195.8 Ų95.875%0.74547%0.469SS*.Hα-helixtrans-94-26.3-177.9-78.6-80.6000113.6F227 R228 V229F227-H231 WeakPolarHBondContact O-CB 3.38Å; F227-H231 PolarHBondContact O-CD2 3.33Å; F227-H231 VanDerWaalsContact O-CD2 3.23Å; F227-H231 PolarHBondContact O-N 3.31Å; R228-H231 PolarHBondContact O-N 2.8Å; V229-H231 PolarHBondContact O-N 2.87Å
232E79.4Confident82.2Confident107 Ų10795.8 Ų95.850%0.547%0.47SS..Hα-helixtrans-97.9-23-176.8-64.4-178.6-172.200113.8R228 P234R228-E232 WeakPolarHBondContact CG-OE1 3.25Å; R228-E232 IonicContact CZ-OE1 3.45Å; R228-E232 IonicContact CZ-OE2 2.67Å; R228-E232 IonicContact NE-OE1 2.85Å; R228-E232 IonicContact NE-OE2 3.2Å; R228-E232 IonicContact NH1-OE1 2.77Å; R228-E232 PolarHBondContact NH1-OE1 3.21Å; R228-E232 IonicContact NH1-OE2 2.71Å; R228-E232 PolarHBondContact NH1-OE2 3.49Å; R228-E232 IonicContact NH2-OE1 3.21Å; R228-E232 IonicContact NH2-OE2 3.97Å; R228-E232 PolarHBondContact NH2-OE2 2.87Å; R228-E232 WeakPolarHBondContact O-CB 3.44Å; R228-E232 WeakPolarHBondContact O-CG 3.3Å; R228-E232 PolarHBondContact O-N 3.2Å; E232-P234 WeakPolarHBondContact O-CD 3.45Å
233D83.8Confident83.2Confident57 Ų5795.6 Ų95.631%0.30547%0.466SS..  trans-95.9108.1176-179.46.5000110.6V229 M235 Y236V229-D233 VanDerWaalsContact O-CB 3.23Å; V229-D233 WeakPolarHBondContact O-CB 3.49Å; V229-D233 PolarHBondContact O-N 3.25Å; V229-D233 VanDerWaalsContact O-N 3.11Å; D233-M235 PolarHBondContact O-N 3.36Å; D233-M235 VanDerWaalsContact O-N 3.11Å; D233-M235 WeakPolarHBondContact OD1-CA 3.45Å; D233-M235 VanDerWaalsContact OD1-CB 3.32Å; D233-M235 WeakPolarHBondContact OD1-CB 3.38Å; D233-M235 PolarHBondContact OD1-N 3.07Å; D233-Y236 VanDerWaalsContact O-CB 3.27Å; D233-Y236 WeakPolarHBondContact O-CB 3.13Å; D233-Y236 PolarHBondContact O-N 3.21Å
234P82.6Confident84Confident122 Ų12294.4 Ų94.479%0.79246%0.458SS*.THydrogen-bonded Turntrans-62.7-18.5177.3-18.331.9000113.4E232E232-P234 WeakPolarHBondContact O-CD 3.45Å
235M87.1Confident84.9Confident94 Ų9494.9 Ų94.946%0.46346%0.457SS..THydrogen-bonded Turntrans-90.3-6.2178.4-69.5-116.357.600113D233 D237 I238 I239D233-M235 PolarHBondContact O-N 3.36Å; D233-M235 VanDerWaalsContact O-N 3.11Å; D233-M235 WeakPolarHBondContact OD1-CA 3.45Å; D233-M235 VanDerWaalsContact OD1-CB 3.32Å; D233-M235 WeakPolarHBondContact OD1-CB 3.38Å; D233-M235 PolarHBondContact OD1-N 3.07Å; M235-D237 VanDerWaalsContact C-N 3.32Å; M235-D237 PolarHBondContact O-N 3.46Å; M235-I238 HydrophobicContact CE-CB 3.67Å; M235-I238 HydrophobicContact CE-CD1 3.4Å; M235-I238 VanDerWaalsContact CE-CD1 3.4Å; M235-I238 HydrophobicContact CE-CG1 4.11Å; M235-I238 HydrophobicContact CE-CG2 3.64Å; M235-I238 PolarHBondContact O-N 2.81Å; M235-I238 VanDerWaalsContact O-N 3.11Å; M235-I239 HydrophobicContact CB-CD1 3.98Å; M235-I239 HydrophobicContact CB-CG1 4.45Å; M235-I239 WeakPolarHBondContact O-CG1 3.4Å; M235-I239 PolarHBondContact O-N 2.8Å
236Y86Confident85.8Confident61 Ų6198.7 Ų98.724%0.23948%0.475CS..Hα-helixtrans-58.2-42.8-171.4-174.2-109.7000112.9V229 A230 D233 I238 I239 R240V229-Y236 HydrophobicContact CG1-CD2 3.57Å; V229-Y236 HydrophobicContact CG1-CE2 3.68Å; V229-Y236 HydrophobicContact CG1-CG 4.49Å; A230-Y236 HydrophobicContact CB-CD1 3.54Å; A230-Y236 HydrophobicContact CB-CE1 3.43Å; A230-Y236 VanDerWaalsContact CB-CE1 3.43Å; A230-Y236 HydrophobicContact CB-CG 4.34Å; D233-Y236 VanDerWaalsContact O-CB 3.27Å; D233-Y236 WeakPolarHBondContact O-CB 3.13Å; D233-Y236 PolarHBondContact O-N 3.21Å; Y236-I238 PolarHBondContact O-N 3.15Å; Y236-I239 PolarHBondContact O-N 2.95Å; Y236-R240 VanDerWaalsContact O-CB 3.26Å; Y236-R240 WeakPolarHBondContact O-CB 3.28Å; Y236-R240 PolarHBondContact O-N 2.92Å
237D85.4Confident86.7Confident89 Ų89100.5 Ų100.548%0.47648%0.481SS..Hα-helixtrans-66-39.8179.4-70.4-24.6000112.2M235 R240 D241M235-D237 VanDerWaalsContact C-N 3.32Å; M235-D237 PolarHBondContact O-N 3.46Å; D237-R240 WeakPolarHBondContact O-CB 3.39Å; D237-R240 PolarHBondContact O-N 2.95Å; D237-R240 IonicContact OD1-CZ 3.32Å; D237-R240 IonicContact OD1-NE 3.38Å; D237-R240 IonicContact OD1-NH2 2.71Å; D237-R240 PolarHBondContact OD1-NH2 2.86Å; D237-D241 WeakPolarHBondContact O-CB 3.23Å; D237-D241 VanDerWaalsContact O-CG 3.28Å; D237-D241 PolarHBondContact O-N 3.2Å
238I87.5Confident87.5Confident87 Ų8798.5 Ų98.545%0.44648%0.477SS..Hα-helixtrans-66.7-41.4177.8-66.5163000110.8M235 Y236 D241 N242M235-I238 HydrophobicContact CE-CB 3.67Å; M235-I238 HydrophobicContact CE-CD1 3.4Å; M235-I238 VanDerWaalsContact CE-CD1 3.4Å; M235-I238 HydrophobicContact CE-CG1 4.11Å; M235-I238 HydrophobicContact CE-CG2 3.64Å; M235-I238 PolarHBondContact O-N 2.81Å; M235-I238 VanDerWaalsContact O-N 3.11Å; Y236-I238 PolarHBondContact O-N 3.15Å; I238-D241 PolarHBondContact O-N 3.35Å; I238-N242 WeakPolarHBondContact O-CB 3.2Å; I238-N242 VanDerWaalsContact O-CG 3.3Å; I238-N242 PolarHBondContact O-N 2.82Å; I238-N242 PolarHBondContact O-ND2 3.14Å
239I87.4Confident88.3Confident90 Ų9095.4 Ų95.446%0.46247%0.47SS..Hα-helixtrans-66.8-41.5177-64.8165.6000110.3M235 Y236 N242 K243M235-I239 HydrophobicContact CB-CD1 3.98Å; M235-I239 HydrophobicContact CB-CG1 4.45Å; M235-I239 WeakPolarHBondContact O-CG1 3.4Å; M235-I239 PolarHBondContact O-N 2.8Å; Y236-I239 PolarHBondContact O-N 2.95Å; I239-N242 PolarHBondContact O-N 3.4Å; I239-K243 WeakPolarHBondContact O-CB 2.94Å; I239-K243 PolarHBondContact O-N 2.71Å
240R90.1Very high88.8Confident97 Ų97101.1 Ų101.137%0.36649%0.485SS..Hα-helixtrans-61.7-43.9176.6-164.1-164-46.6-173.115.5111.3Y236 D237 K243 R244Y236-R240 VanDerWaalsContact O-CB 3.26Å; Y236-R240 WeakPolarHBondContact O-CB 3.28Å; Y236-R240 PolarHBondContact O-N 2.92Å; D237-R240 WeakPolarHBondContact O-CB 3.39Å; D237-R240 PolarHBondContact O-N 2.95Å; D237-R240 IonicContact OD1-CZ 3.32Å; D237-R240 IonicContact OD1-NE 3.38Å; D237-R240 IonicContact OD1-NH2 2.71Å; D237-R240 PolarHBondContact OD1-NH2 2.86Å; R240-K243 PolarHBondContact O-N 2.77Å; R240-R244 PolarHBondContact O-N 3.11Å
241D90Very high89.4Confident80 Ų80103.5 Ų103.543%0.42849%0.493SS..Hα-helixtrans-66.1-44177.8-76.9-20.2000112.5D237 I238 K243 R244 H245D237-D241 WeakPolarHBondContact O-CB 3.23Å; D237-D241 VanDerWaalsContact O-CG 3.28Å; D237-D241 PolarHBondContact O-N 3.2Å; I238-D241 PolarHBondContact O-N 3.35Å; D241-K243 VanDerWaalsContact C-N 3.28Å; D241-K243 PolarHBondContact O-N 3.4Å; D241-R244 WeakPolarHBondContact O-CB 3.43Å; D241-R244 PolarHBondContact O-N 2.95Å; D241-R244 VanDerWaalsContact O-N 3.17Å; D241-R244 IonicContact OD1-CZ 2.62Å; D241-R244 IonicContact OD1-NE 2.81Å; D241-R244 PolarHBondContact OD1-NE 2.84Å; D241-R244 IonicContact OD1-NH2 3.39Å; D241-R244 PolarHBondContact OD1-NH2 3.22Å; D241-H245 WeakPolarHBondContact O-CB 3.49Å; D241-H245 PolarHBondContact O-N 3.07Å
242N92.4Very high90.1Very high93 Ų93102 Ų10250%0.49749%0.487SS..Hα-helixtrans-59.1-41.9174.6-76.8-32.3000111.6I238 I239 R244 H245 E246I238-N242 WeakPolarHBondContact O-CB 3.2Å; I238-N242 VanDerWaalsContact O-CG 3.3Å; I238-N242 PolarHBondContact O-N 2.82Å; I238-N242 PolarHBondContact O-ND2 3.14Å; I239-N242 PolarHBondContact O-N 3.4Å; N242-R244 VanDerWaalsContact C-N 3.33Å; N242-R244 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact O-N 3.45Å; N242-E246 WeakPolarHBondContact O-CB 3.3Å; N242-E246 WeakPolarHBondContact O-CG 3.22Å; N242-E246 PolarHBondContact O-N 3.22Å
243K93.9Very high90.8Very high136 Ų136102.7 Ų102.759%0.59149%0.49SS*.Hα-helixtrans-68.9-30.7179.1-155169.2-170.31740112.7I239 R240 D241 K247I239-K243 WeakPolarHBondContact O-CB 2.94Å; I239-K243 PolarHBondContact O-N 2.71Å; R240-K243 PolarHBondContact O-N 2.77Å; D241-K243 VanDerWaalsContact C-N 3.28Å; D241-K243 PolarHBondContact O-N 3.4Å; K243-K247 VanDerWaalsContact O-CG 3.32Å; K243-K247 WeakPolarHBondContact O-CG 3.23Å; K243-K247 PolarHBondContact O-N 3.47Å
244R92.4Very high91.3Very high121 Ų121104.3 Ų104.346%0.45750%0.498SS..Hα-helixtrans-69-49.9169.6-77.2-171.7-83-127.16.8110.8R240 D241 N242 E246 K247 D248R240-R244 PolarHBondContact O-N 3.11Å; D241-R244 WeakPolarHBondContact O-CB 3.43Å; D241-R244 PolarHBondContact O-N 2.95Å; D241-R244 VanDerWaalsContact O-N 3.17Å; D241-R244 IonicContact OD1-CZ 2.62Å; D241-R244 IonicContact OD1-NE 2.81Å; D241-R244 PolarHBondContact OD1-NE 2.84Å; D241-R244 IonicContact OD1-NH2 3.39Å; D241-R244 PolarHBondContact OD1-NH2 3.22Å; N242-R244 VanDerWaalsContact C-N 3.33Å; N242-R244 PolarHBondContact O-N 3.41Å; R244-E246 VanDerWaalsContact C-N 3.31Å; R244-E246 PolarHBondContact O-N 2.68Å; R244-K247 WeakPolarHBondContact O-CA 3.14Å; R244-K247 WeakPolarHBondContact O-CB 3.35Å; R244-K247 PolarHBondContact O-N 2.86Å; R244-D248 PolarHBondContact O-N 2.98Å
245H91.3Very high91.8Very high122 Ų122104.2 Ų104.257%0.56549%0.485SS*.Hα-helixtrans-60.4-38.7-179.1-170.3-86.5000112.5D241 N242 K247 D248 V249D241-H245 WeakPolarHBondContact O-CB 3.49Å; D241-H245 PolarHBondContact O-N 3.07Å; N242-H245 PolarHBondContact O-N 3.45Å; H245-K247 PolarHBondContact O-N 2.64Å; H245-D248 PolarHBondContact O-N 3.4Å; H245-V249 WeakPolarHBondContact O-CB 3.38Å; H245-V249 VanDerWaalsContact O-CG2 3.25Å; H245-V249 WeakPolarHBondContact O-CG2 3.41Å; H245-V249 PolarHBondContact O-N 2.66Å
246E94.4Very high91.9Very high137 Ų137104.5 Ų104.564%0.6449%0.485SS*.Hα-helixtrans-61.3-41.3172.6-79-180174.500112.7N242 R244 R250N242-E246 WeakPolarHBondContact O-CB 3.3Å; N242-E246 WeakPolarHBondContact O-CG 3.22Å; N242-E246 PolarHBondContact O-N 3.22Å; R244-E246 VanDerWaalsContact C-N 3.31Å; R244-E246 PolarHBondContact O-N 2.68Å; E246-R250 WeakPolarHBondContact O-CB 3.47Å; E246-R250 PolarHBondContact O-N 2.83Å
247K95.6Very high92.1Very high130 Ų130107 Ų10757%0.56550%0.502SS*.Hα-helixtrans-64.7-44.4175-69.2172.5-177.9-174.90110.7K243 R244 H245 V249 R250 I251K243-K247 VanDerWaalsContact O-CG 3.32Å; K243-K247 WeakPolarHBondContact O-CG 3.23Å; K243-K247 PolarHBondContact O-N 3.47Å; R244-K247 WeakPolarHBondContact O-CA 3.14Å; R244-K247 WeakPolarHBondContact O-CB 3.35Å; R244-K247 PolarHBondContact O-N 2.86Å; H245-K247 PolarHBondContact O-N 2.64Å; K247-V249 PolarHBondContact O-N 2.93Å; K247-R250 WeakPolarHBondContact O-CB 3.44Å; K247-R250 PolarHBondContact O-N 3.23Å; K247-I251 WeakPolarHBondContact O-CB 3.35Å; K247-I251 VanDerWaalsContact O-CG1 3.23Å; K247-I251 WeakPolarHBondContact O-CG1 3.44Å; K247-I251 PolarHBondContact O-N 3.11Å
248D93.6Very high92.2Very high85 Ų85108.3 Ų108.346%0.45551%0.509SS..Hα-helixtrans-63.7-41.9-180-64.6-28.5000111.5R244 H245 R250 I251 Q252R244-D248 PolarHBondContact O-N 2.98Å; H245-D248 PolarHBondContact O-N 3.4Å; D248-R250 PolarHBondContact O-N 2.62Å; D248-I251 PolarHBondContact O-N 3.15Å; D248-Q252 WeakPolarHBondContact O-CG 3.44Å; D248-Q252 PolarHBondContact O-N 2.89Å
249V95.2Very high92Very high48 Ų48109.4 Ų109.429%0.29151%0.512SS..Hα-helixtrans-62.4-42.5173.6169.50000111.1H245 K247 I251 Q252 Q253H245-V249 WeakPolarHBondContact O-CB 3.38Å; H245-V249 VanDerWaalsContact O-CG2 3.25Å; H245-V249 WeakPolarHBondContact O-CG2 3.41Å; H245-V249 PolarHBondContact O-N 2.66Å; K247-V249 PolarHBondContact O-N 2.93Å; V249-I251 VanDerWaalsContact C-N 3.35Å; V249-Q252 PolarHBondContact O-N 3.15Å; V249-Q253 VanDerWaalsContact O-CG 3.29Å; V249-Q253 WeakPolarHBondContact O-CG 3.33Å; V249-Q253 PolarHBondContact O-N 2.93Å
250R94.8Very high91.2Very high177 Ų177109.8 Ų109.867%0.66852%0.515SS*.Hα-helixtrans-64.7-39.9176.5-174.7172-177.11620111.8E246 K247 D248 Q253 L254E246-R250 WeakPolarHBondContact O-CB 3.47Å; E246-R250 PolarHBondContact O-N 2.83Å; K247-R250 WeakPolarHBondContact O-CB 3.44Å; K247-R250 PolarHBondContact O-N 3.23Å; D248-R250 PolarHBondContact O-N 2.62Å; R250-Q253 PolarHBondContact O-N 3.36Å; R250-L254 HydrophobicContact CG-CD1 4.11Å; R250-L254 WeakPolarHBondContact O-CD1 3.26Å; R250-L254 WeakPolarHBondContact O-CG 3.48Å; R250-L254 PolarHBondContact O-N 3.34Å
251I94.7Very high90.1Very high80 Ų80109.9 Ų109.941%0.4153%0.531SS..Hα-helixtrans-63.9-44.1175.2-69.6163.4000110.1K247 D248 V249 Q253 L254 K255K247-I251 WeakPolarHBondContact O-CB 3.35Å; K247-I251 VanDerWaalsContact O-CG1 3.23Å; K247-I251 WeakPolarHBondContact O-CG1 3.44Å; K247-I251 PolarHBondContact O-N 3.11Å; D248-I251 PolarHBondContact O-N 3.15Å; V249-I251 VanDerWaalsContact C-N 3.35Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 2.86Å; I251-L254 PolarHBondContact O-N 3.36Å; I251-K255 HydrophobicContact CG2-CD 4.16Å; I251-K255 HydrophobicContact CG2-CG 4.4Å; I251-K255 WeakPolarHBondContact O-CB 3.39Å; I251-K255 WeakPolarHBondContact O-CG 3.32Å; I251-K255 PolarHBondContact O-N 2.63Å
252Q94.3Very high88.5Confident130 Ų130111.6 Ų111.661%0.60754%0.544SS*.Hα-helixtrans-61.1-41.2175.6-751750.400112.1D248 V249 K255 Q256D248-Q252 WeakPolarHBondContact O-CG 3.44Å; D248-Q252 PolarHBondContact O-N 2.89Å; V249-Q252 PolarHBondContact O-N 3.15Å; Q252-K255 PolarHBondContact O-N 3.46Å; Q252-Q256 PolarHBondContact O-N 2.92Å
253Q94.1Very high86.5Confident120 Ų120111.6 Ų111.656%0.56155%0.551SS**Hα-helixtrans-63-42.7174.9-72.2169.8-1.500112.1V249 R250 I251 Q256 L257V249-Q253 VanDerWaalsContact O-CG 3.29Å; V249-Q253 WeakPolarHBondContact O-CG 3.33Å; V249-Q253 PolarHBondContact O-N 2.93Å; R250-Q253 PolarHBondContact O-N 3.36Å; I251-Q253 VanDerWaalsContact C-N 3.33Å; I251-Q253 PolarHBondContact O-N 2.86Å; Q253-Q256 PolarHBondContact O-N 2.92Å; Q253-L257 WeakPolarHBondContact O-CG 3.35Å; Q253-L257 PolarHBondContact O-N 3.17Å; Q253-L257 VanDerWaalsContact O-N 3.1Å
254L94.9Very high84.3Confident92 Ų92112 Ų11248%0.48256%0.56SS.*Hα-helixtrans-64-42.4175.9-76.5158.3000111.7R250 I251 L257 L258R250-L254 HydrophobicContact CG-CD1 4.11Å; R250-L254 WeakPolarHBondContact O-CD1 3.26Å; R250-L254 WeakPolarHBondContact O-CG 3.48Å; R250-L254 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 2.88Å; L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 3.38Å
255K91.9Very high82.1Confident120 Ų120114.1 Ų114.152%0.52258%0.575SS.*Hα-helixtrans-61.1-45.9175.6-75.2179.5176.2-172.60111.9I251 Q252 L257 L258 E259I251-K255 HydrophobicContact CG2-CD 4.16Å; I251-K255 HydrophobicContact CG2-CG 4.4Å; I251-K255 WeakPolarHBondContact O-CB 3.39Å; I251-K255 WeakPolarHBondContact O-CG 3.32Å; I251-K255 PolarHBondContact O-N 2.63Å; Q252-K255 PolarHBondContact O-N 3.46Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.82Å; K255-L258 PolarHBondContact O-N 3.43Å; K255-E259 WeakPolarHBondContact O-CB 3.37Å; K255-E259 WeakPolarHBondContact O-CG 3.45Å; K255-E259 PolarHBondContact O-N 2.86Å
256Q90.3Very high79.8Confident100 Ų100115.9 Ų115.947%0.46759%0.589SS.*Hα-helixtrans-59.9-43176.9-171.170.250.700111.8Q252 Q253 L258 E259 D260Q252-Q256 PolarHBondContact O-N 2.92Å; Q253-Q256 PolarHBondContact O-N 2.92Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.49Å; Q256-E259 PolarHBondContact O-N 3.05Å; Q256-D260 PolarHBondContact NE2-OD1 3.18Å; Q256-D260 PolarHBondContact NE2-OD2 2.96Å; Q256-D260 VanDerWaalsContact O-CB 3.28Å; Q256-D260 WeakPolarHBondContact O-CB 3.43Å; Q256-D260 PolarHBondContact O-N 2.84Å
257L90.1Very high77.6Confident112 Ų112120.5 Ų120.559%0.58660%0.6SS**Hα-helixtrans-64.3-35.9177.5-74167.9000112.7Q253 L254 K255 S261Q253-L257 WeakPolarHBondContact O-CG 3.35Å; Q253-L257 PolarHBondContact O-N 3.17Å; Q253-L257 VanDerWaalsContact O-N 3.1Å; L254-L257 PolarHBondContact O-N 2.88Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.82Å; L257-S261 WeakPolarHBondContact O-CB 3.35Å; L257-S261 PolarHBondContact O-N 2.79Å; L257-S261 PolarHBondContact O-OG 3.14Å
258L86.8Confident75.2Confident118 Ų118119.5 Ų119.562%0.61861%0.609SS**Hα-helixtrans-70-46.2175.7-74.8159.8000111.1L254 K255 Q256 S261 T262L254-L258 WeakPolarHBondContact O-CD1 3.29Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 3.38Å; K255-L258 PolarHBondContact O-N 3.43Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 3.49Å; L258-S261 PolarHBondContact O-N 3.32Å; L258-T262 PolarHBondContact O-N 3.17Å; L258-T262 PolarHBondContact O-OG1 2.88Å
259E83.2Confident72.6Confident110 Ų110121 Ų12151%0.51463%0.626SS.*Hα-helixtrans-63.8-41178.3-75.5165.2-170.600112.1K255 Q256 S261 T262 S263K255-E259 WeakPolarHBondContact O-CB 3.37Å; K255-E259 WeakPolarHBondContact O-CG 3.45Å; K255-E259 PolarHBondContact O-N 2.86Å; Q256-E259 PolarHBondContact O-N 3.05Å; E259-S261 VanDerWaalsContact C-N 3.26Å; E259-S261 PolarHBondContact O-N 2.97Å; E259-T262 PolarHBondContact O-N 3.04Å; E259-T262 PolarHBondContact O-OG1 2.82Å; E259-S263 VanDerWaalsContact O-CB 3.31Å; E259-S263 WeakPolarHBondContact O-CB 3.47Å; E259-S263 PolarHBondContact O-N 3.1Å
260D71.6Confident70.1Confident97 Ų97124.3 Ų124.352%0.51965%0.652SS.*Hα-helixtrans-69.8-21.9177.4-66.8-15.4000112.5Q256Q256-D260 PolarHBondContact NE2-OD1 3.18Å; Q256-D260 PolarHBondContact NE2-OD2 2.96Å; Q256-D260 VanDerWaalsContact O-CB 3.28Å; Q256-D260 WeakPolarHBondContact O-CB 3.43Å; Q256-D260 PolarHBondContact O-N 2.84Å
261S66.5Low67.3Low100 Ų100121.1 Ų121.170%0.69966%0.657SS**Hα-helixtrans-87.9-15.9177.4-57.20000113.5L257 L258 E259L257-S261 WeakPolarHBondContact O-CB 3.35Å; L257-S261 PolarHBondContact O-N 2.79Å; L257-S261 PolarHBondContact O-OG 3.14Å; L258-S261 PolarHBondContact O-N 3.32Å; E259-S261 VanDerWaalsContact C-N 3.26Å; E259-S261 PolarHBondContact O-N 2.97Å
262T57.2Low65.2Low115 Ų115123.3 Ų123.371%0.70668%0.679SS**Hα-helixtrans-104.3-8.5179.357.20000113.5L258 E259 D264L258-T262 PolarHBondContact O-N 3.17Å; L258-T262 PolarHBondContact O-OG1 2.88Å; E259-T262 PolarHBondContact O-N 3.04Å; E259-T262 PolarHBondContact O-OG1 2.82Å; T262-D264 PolarHBondContact O-N 3.03Å
263S50.4Low62.9Low94 Ų94121.9 Ų121.966%0.65768%0.684SS**  trans-97.443.7-173.3-175.10000113.7E259E259-S263 VanDerWaalsContact O-CB 3.31Å; E259-S263 WeakPolarHBondContact O-CB 3.47Å; E259-S263 PolarHBondContact O-N 3.1Å
264D47.1Very low60.5Low145 Ų145122.9 Ų122.978%0.77569%0.688SS**  trans-104.911.2170.9-105.4-56.3000113.3T262T262-D264 PolarHBondContact O-N 3.03Å
265E46.8Very low58Low164 Ų164121.1 Ų121.177%0.76669%0.693SS**SBendtrans-120.9116173.4-61-64150.400111.6
266D42.5Very low56.2Low160 Ų160124.5 Ų124.586%0.85671%0.707SS**  trans85.9127.9161-68.3-45.6000124
267R48.4Very low54.5Low234 Ų234127.5 Ų127.588%0.88372%0.721SS**  trans-69.9143.5-176.1-84168.9153.4-168.2-3.1114.6
268S43.9Very low53.1Low108 Ų108128.7 Ų128.776%0.75572%0.721SS**  trans64.2111.8139-61.60000120.4
269S40.3Very low51.8Low116 Ų116129.1 Ų129.181%0.81172%0.72SS**  153.8135.3103.755.80000115.5
270S42.6Very low51.1Low119 Ų119131.8 Ų131.883%0.83273%0.73SS**  trans66.6110.6158.173.80000121.7
271S36.1Very low51.2Low110 Ų110135 Ų13577%0.76974%0.739SS**  trans-161.595.6148173.70000110.3S273S271-S273 PolarHBondContact O-N 3.28Å
272S49.4Very low51.7Low126 Ų126137.7 Ų137.788%0.88174%0.739SS**  trans-87.296177.563.60000111.2
273S46Very low52.8Low100 Ų100139.2 Ų139.270%0.69974%0.735SS**  trans-155.35164.962.30000116.2S271 G275S271-S273 PolarHBondContact O-N 3.28Å; S273-G275 PolarHBondContact O-N 3.04Å
274E44.4Very low54.3Low141 Ų141142.8 Ų142.866%0.65974%0.739SS**  trans-93.515-178.7-68.6-126.9127.600115.4K278E274-K278 IonicContact OE2-NZ 2.76Å; E274-K278 PolarHBondContact OE2-NZ 3.2Å
275G43.1Very low56Low55 Ų55144 Ų14457%0.56774%0.737SS**Hα-helixtrans-85.2-32-172.700000115.2S273 H279S273-G275 PolarHBondContact O-N 3.04Å; G275-H279 WeakPolarHBondContact O-CB 3.43Å; G275-H279 PolarHBondContact O-N 2.71Å
276K53.8Low57.8Low191 Ų191142.9 Ų142.983%0.8373%0.732SS**Hα-helixtrans-79.1-37-165.6-71.6-177.2176.9176.50113.3K280K276-K280 PolarHBondContact O-N 2.88Å; K276-K280 VanDerWaalsContact O-N 3.09Å
277E54.4Low59.9Low162 Ų162143.3 Ų143.376%0.75773%0.726SS**Hα-helixtrans-76.6-44.3-175.5-142.2-144.515700112.4H279 K280 K281E277-H279 VanDerWaalsContact C-N 3.27Å; E277-H279 PolarHBondContact O-N 2.86Å; E277-K280 PolarHBondContact O-N 3.47Å; E277-K281 PolarHBondContact O-N 3Å
278K60.3Low61.8Low137 Ų137138.4 Ų138.460%0.59671%0.713SS**Hα-helixtrans-58-39.6173.6-72.6171.4-179.81560111E274 K282E274-K278 IonicContact OE2-NZ 2.76Å; E274-K278 PolarHBondContact OE2-NZ 3.2Å; K278-K282 WeakPolarHBondContact O-CB 3.34Å; K278-K282 PolarHBondContact O-N 2.96Å
279H59.5Low64Low127 Ų127141.1 Ų141.159%0.58871%0.712SS**Hα-helixtrans-68.2-41.4175.8-169-106.5000113G275 E277 K282 K283G275-H279 WeakPolarHBondContact O-CB 3.43Å; G275-H279 PolarHBondContact O-N 2.71Å; E277-H279 VanDerWaalsContact C-N 3.27Å; E277-H279 PolarHBondContact O-N 2.86Å; H279-K282 PolarHBondContact O-N 2.87Å; H279-K283 WeakPolarHBondContact O-CB 3.31Å; H279-K283 PolarHBondContact O-N 3.27Å
280K69.6Low66.3Low166 Ų166143.6 Ų143.672%0.72271%0.707SS**Hα-helixtrans-64.9-40.7177-161.9174.3-178-179.50111.8K276 E277 K283 K284K276-K280 PolarHBondContact O-N 2.88Å; K276-K280 VanDerWaalsContact O-N 3.09Å; E277-K280 PolarHBondContact O-N 3.47Å; K280-K283 PolarHBondContact O-N 3.22Å; K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.44Å
281K73.1Confident68.5Low165 Ų165145.9 Ų145.972%0.71770%0.698SS**Hα-helixtrans-66.1-41.5175.5-164.9171.8-175.71720111.9E277 K284 K285E277-K281 PolarHBondContact O-N 3Å; K281-K284 PolarHBondContact O-N 3.3Å; K281-K285 WeakPolarHBondContact O-CB 3.35Å; K281-K285 PolarHBondContact O-N 2.96Å
282K76.8Confident71.1Confident157 Ų157146.9 Ų146.968%0.68369%0.689SS**Hα-helixtrans-63-46174.6-168.1175.5178.7-176.90111.6K278 H279 K284 K285 E286K278-K282 WeakPolarHBondContact O-CB 3.34Å; K278-K282 PolarHBondContact O-N 2.96Å; H279-K282 PolarHBondContact O-N 2.87Å; K282-K284 PolarHBondContact O-N 3.27Å; K282-K285 PolarHBondContact O-N 2.93Å; K282-E286 PolarHBondContact O-N 3.35Å
283K79.4Confident72.9Confident146 Ų146147.7 Ų147.764%0.63568%0.676SS**Hα-helixtrans-62.6-39.5177.2-165.9171.2-177.7175.60112.5H279 K280 E286 K287H279-K283 WeakPolarHBondContact O-CB 3.31Å; H279-K283 PolarHBondContact O-N 3.27Å; K280-K283 PolarHBondContact O-N 3.22Å; K283-E286 PolarHBondContact O-N 3.45Å; K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.15Å
284K82.1Confident75Confident170 Ų170147.5 Ų147.574%0.73966%0.664SS**Hα-helixtrans-66.6-42.2175.4-167.4174.6-179.7179.90112.1K280 K281 K282 E286 K287 H288K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.44Å; K281-K284 PolarHBondContact O-N 3.3Å; K282-K284 PolarHBondContact O-N 3.27Å; K284-E286 VanDerWaalsContact C-N 3.35Å; K284-E286 PolarHBondContact O-N 3.45Å; K284-K287 PolarHBondContact O-N 3.07Å; K284-H288 PolarHBondContact O-N 2.96Å; K284-H288 VanDerWaalsContact O-N 3.13Å
285K83.9Confident77Confident170 Ų170147 Ų14774%0.73966%0.66SS**Hα-helixtrans-64-39.1176.9-168.5173.4-176.8175.70111.9K281 K282 K289K281-K285 WeakPolarHBondContact O-CB 3.35Å; K281-K285 PolarHBondContact O-N 2.96Å; K282-K285 PolarHBondContact O-N 2.93Å; K285-K289 PolarHBondContact O-N 3.34Å; K285-K289 VanDerWaalsContact O-N 3.16Å
286E84.1Confident79Confident141 Ų141151.1 Ų151.166%0.65966%0.662SS**Hα-helixtrans-68.7-44.5177.9-148.7-166.3172.800112.4K282 K283 K284 H288 K289 K290K282-E286 PolarHBondContact O-N 3.35Å; K283-E286 PolarHBondContact O-N 3.45Å; K284-E286 VanDerWaalsContact C-N 3.35Å; K284-E286 PolarHBondContact O-N 3.45Å; E286-H288 VanDerWaalsContact C-N 3.3Å; E286-H288 PolarHBondContact O-N 2.82Å; E286-K289 PolarHBondContact O-N 3.03Å; E286-K289 VanDerWaalsContact O-N 3.14Å; E286-K290 PolarHBondContact O-N 3Å
287K87.9Confident80.6Confident168 Ų168148.2 Ų148.273%0.7365%0.65SS**Hα-helixtrans-57.9-41.2175.3-169.4175.6-178.11780111.8K283 K284 K290 R291K283-K287 WeakPolarHBondContact O-CB 3.4Å; K283-K287 PolarHBondContact O-N 3.15Å; K284-K287 PolarHBondContact O-N 3.07Å; K287-K290 PolarHBondContact O-N 3.05Å; K287-R291 PolarHBondContact O-N 3.44Å; K287-R291 VanDerWaalsContact O-N 3.13Å
288H87Confident81.9Confident132 Ų132146.5 Ų146.561%0.61164%0.639SS**Hα-helixtrans-65.5-41.2176.7-173.1-104.4000112.5K284 E286 R291 K292K284-H288 PolarHBondContact O-N 2.96Å; K284-H288 VanDerWaalsContact O-N 3.13Å; E286-H288 VanDerWaalsContact C-N 3.3Å; E286-H288 PolarHBondContact O-N 2.82Å; H288-R291 PolarHBondContact O-N 3.07Å; H288-K292 PolarHBondContact O-N 3.18Å
289K89.9Confident82.9Confident165 Ų165146.8 Ų146.872%0.71764%0.641SS**Hα-helixtrans-64.6-40.2177.5-163.6176.7-179.9-176.20111.7K285 E286 K292 K293K285-K289 PolarHBondContact O-N 3.34Å; K285-K289 VanDerWaalsContact O-N 3.16Å; E286-K289 PolarHBondContact O-N 3.03Å; E286-K289 VanDerWaalsContact O-N 3.14Å; K289-K292 PolarHBondContact O-N 2.86Å; K289-K293 PolarHBondContact O-N 3.17Å; K289-K293 VanDerWaalsContact O-N 3.12Å
290K89.8Confident83.7Confident167 Ų167148.6 Ų148.673%0.72665%0.647SS**Hα-helixtrans-62.1-47.1175.5-167174.1-179.3178.10111.6E286 K287 K292 K293 E294E286-K290 PolarHBondContact O-N 3Å; K287-K290 PolarHBondContact O-N 3.05Å; K290-K292 PolarHBondContact O-N 2.71Å; K290-K293 PolarHBondContact O-N 3.24Å; K290-E294 PolarHBondContact O-N 3.39Å
291R88.5Confident83.9Confident168 Ų168150.1 Ų150.163%0.63465%0.648SS**Hα-helixtrans-62.7-37.8178.6-159.2176.3-178.6-155.32.1112.6K287 H288 E294 K295K287-R291 PolarHBondContact O-N 3.44Å; K287-R291 VanDerWaalsContact O-N 3.13Å; H288-R291 PolarHBondContact O-N 3.07Å; R291-E294 PolarHBondContact O-N 2.88Å; R291-K295 PolarHBondContact O-N 3.3Å
292K89.4Confident83.8Confident131 Ų131149.8 Ų149.857%0.5765%0.647SS**Hα-helixtrans-67-39.5175.3-168.9171.8-177.8173.50112.2H288 K289 K290 K296H288-K292 PolarHBondContact O-N 3.18Å; K289-K292 PolarHBondContact O-N 2.86Å; K290-K292 PolarHBondContact O-N 2.71Å; K292-K296 PolarHBondContact O-N 3.36Å; K292-K296 VanDerWaalsContact O-N 3.16Å
293K88.8Confident83.1Confident143 Ų143148.9 Ų148.962%0.62264%0.644SS**Hα-helixtrans-66.4-39.7176.3-168.1174.7-178.5179.30111.5K289 K290 K296 K297K289-K293 PolarHBondContact O-N 3.17Å; K289-K293 VanDerWaalsContact O-N 3.12Å; K290-K293 PolarHBondContact O-N 3.24Å; K293-K296 PolarHBondContact O-N 2.81Å; K293-K297 PolarHBondContact O-N 3.04Å
294E88.9Confident82.4Confident95 Ų95150 Ų15044%0.44465%0.65SS.*Hα-helixtrans-66.8-45.1177-159.8-157.9139.500112.3K290 R291 K296 K297 K298K290-E294 PolarHBondContact O-N 3.39Å; R291-E294 PolarHBondContact O-N 2.88Å; E294-K296 VanDerWaalsContact C-N 3.29Å; E294-K296 PolarHBondContact O-N 2.91Å; E294-K297 PolarHBondContact O-N 3.37Å; E294-K297 VanDerWaalsContact O-N 3.11Å; E294-K298 PolarHBondContact O-N 2.91Å; E294-K298 WeakPolarHBondContact OE1-CE 3.31Å; E294-K298 IonicContact OE1-NZ 2.66Å; E294-K298 PolarHBondContact OE1-NZ 3.35Å
295K87.2Confident81.2Confident131 Ų131145.9 Ų145.957%0.5764%0.642SS**Hα-helixtrans-56.9-41.4173.5-78.2-172.8175.7-1720112R291 K298 K299R291-K295 PolarHBondContact O-N 3.3Å; K295-K298 PolarHBondContact O-N 2.93Å; K295-K299 PolarHBondContact O-N 3.33Å
296K85.6Confident79.9Confident141 Ų141142 Ų14261%0.61364%0.636SS**Hα-helixtrans-64.3-41.4174.8-77.9-170.3174-167.50112.5K292 K293 E294 K299 K300K292-K296 PolarHBondContact O-N 3.36Å; K292-K296 VanDerWaalsContact O-N 3.16Å; K293-K296 PolarHBondContact O-N 2.81Å; E294-K296 VanDerWaalsContact C-N 3.29Å; E294-K296 PolarHBondContact O-N 2.91Å; K296-K299 PolarHBondContact O-N 3.28Å; K296-K300 PolarHBondContact O-N 3.45Å; K296-K300 VanDerWaalsContact O-N 3.09Å
297K85.6Confident78.5Confident131 Ų131144.3 Ų144.357%0.5764%0.644SS**Hα-helixtrans-64.1-43175.6-76.7-174.1168.8-170.10112.1K293 E294 K300 R301K293-K297 PolarHBondContact O-N 3.04Å; E294-K297 PolarHBondContact O-N 3.37Å; E294-K297 VanDerWaalsContact O-N 3.11Å; K297-K300 PolarHBondContact O-N 3.44Å; K297-R301 PolarHBondContact O-N 3.03Å
298K83.1Confident76.7Confident125 Ų125140.8 Ų140.854%0.54364%0.64SS.*Hα-helixtrans-61.2-43.6176-79.3177.1167.91620112.1E294 K295 R301 K302E294-K298 PolarHBondContact O-N 2.91Å; E294-K298 WeakPolarHBondContact OE1-CE 3.31Å; E294-K298 IonicContact OE1-NZ 2.66Å; E294-K298 PolarHBondContact OE1-NZ 3.35Å; K295-K298 PolarHBondContact O-N 2.93Å; K298-R301 PolarHBondContact O-N 2.78Å; K298-K302 PolarHBondContact O-N 3.47Å
299K80.6Confident75.1Confident144 Ų144142.1 Ų142.163%0.62665%0.652SS**Hα-helixtrans-59.8-46.5173.9-73.7-169.7175-163.30112.1K295 K296 R301 K302 H303K295-K299 PolarHBondContact O-N 3.33Å; K296-K299 PolarHBondContact O-N 3.28Å; K299-R301 VanDerWaalsContact C-N 3.33Å; K299-R301 PolarHBondContact O-N 3.31Å; K299-K302 PolarHBondContact O-N 2.95Å; K299-H303 PolarHBondContact O-CD2 2.86Å; K299-H303 PolarHBondContact O-N 3.35Å; K299-H303 VanDerWaalsContact O-N 3.15Å
300K77.6Confident73.3Confident165 Ų165144 Ų14472%0.71766%0.663SS**Hα-helixtrans-61.8-36.7177.4-73.2-168.6174.6-161.60113.4K296 K297 K304K296-K300 PolarHBondContact O-N 3.45Å; K296-K300 VanDerWaalsContact O-N 3.09Å; K297-K300 PolarHBondContact O-N 3.44Å; K300-K304 PolarHBondContact O-N 3.12Å
301R72.8Confident71.5Confident198 Ų198139.5 Ų139.575%0.74767%0.665SS**Hα-helixtrans-66.7-42.2175-74.6-177174.1-176.8-4.1112K297 K298 K299 H303 K304 S305K297-R301 PolarHBondContact O-N 3.03Å; K298-R301 PolarHBondContact O-N 2.78Å; K299-R301 VanDerWaalsContact C-N 3.33Å; K299-R301 PolarHBondContact O-N 3.31Å; R301-H303 VanDerWaalsContact C-N 3.33Å; R301-H303 PolarHBondContact O-N 2.88Å; R301-K304 PolarHBondContact O-N 3.17Å; R301-S305 PolarHBondContact O-N 2.85Å; R301-S305 PolarHBondContact O-OG 2.91Å
302K71.9Confident69.6Low157 Ų157137.5 Ų137.568%0.68368%0.677SS**Hα-helixtrans-59.1-40.8175.9-73.7-170.7172.8-161.70112.9K298 K299 K304 S305 S306K298-K302 PolarHBondContact O-N 3.47Å; K299-K302 PolarHBondContact O-N 2.95Å; K302-K304 VanDerWaalsContact C-N 3.28Å; K302-K304 PolarHBondContact O-N 2.9Å; K302-S305 PolarHBondContact O-OG 3.27Å; K302-S306 PolarHBondContact O-N 3.34Å; K302-S306 PolarHBondContact O-OG 2.72Å
303H61.2Low67.5Low138 Ų138138.5 Ų138.564%0.63969%0.688SS**Hα-helixtrans-76.3-12.6176.6-65.3-66.5000114.1K299 R301 S306K299-H303 PolarHBondContact O-CD2 2.86Å; K299-H303 PolarHBondContact O-N 3.35Å; K299-H303 VanDerWaalsContact O-N 3.15Å; R301-H303 VanDerWaalsContact C-N 3.33Å; R301-H303 PolarHBondContact O-N 2.88Å; H303-S306 PolarHBondContact O-OG 2.94Å
304K64.1Low65.5Low171 Ų171137.4 Ų137.474%0.74370%0.699SS**Hα-helixtrans-92.9-32.1176.3-172.6140.2-179.3135.60112.1K300 R301 K302 S306K300-K304 PolarHBondContact O-N 3.12Å; R301-K304 PolarHBondContact O-N 3.17Å; K302-K304 VanDerWaalsContact C-N 3.28Å; K302-K304 PolarHBondContact O-N 2.9Å; K304-S306 VanDerWaalsContact C-N 3.32Å
305S57.8Low63.4Low82 Ų82145.7 Ų145.757%0.57374%0.737SS**Hα-helixtrans-75.2-19.9173.558.30000113.5R301 K302 K307R301-S305 PolarHBondContact O-N 2.85Å; R301-S305 PolarHBondContact O-OG 2.91Å; K302-S305 PolarHBondContact O-OG 3.27Å; S305-K307 VanDerWaalsContact C-N 3.32Å
306S56.9Low62.2Low88 Ų88146.4 Ų146.462%0.61575%0.745SS**THydrogen-bonded Turntrans-86.45.8177.262.30000114.1K302 H303 K304K302-S306 PolarHBondContact O-N 3.34Å; K302-S306 PolarHBondContact O-OG 2.72Å; H303-S306 PolarHBondContact O-OG 2.94Å; K304-S306 VanDerWaalsContact C-N 3.32Å
307K54.6Low61Low190 Ų190146.7 Ų146.783%0.82675%0.752SS**THydrogen-bonded Turntrans-122.114.6-178.5-161.9159.4-179.264.80113.5S305S305-K307 VanDerWaalsContact C-N 3.32Å
308S50.3Low59.6Low94 Ų94147.6 Ų147.666%0.65776%0.763SS**SBendtrans-132.230.5-179.6650000112.8
309N52.1Low58.2Low161 Ų161148.9 Ų148.986%0.86178%0.775SS**SBendtrans-130.143.1177.5-13822.4000111.4
310E52.2Low56.8Low203 Ų203149.2 Ų149.295%0.94979%0.785SS**SBendtrans-146.288171.3-126.3-178.3136.700105.9
311G51.7Low55.4Low73 Ų73148.1 Ų148.175%0.75379%0.789SS**  trans169.1104.6-177.100000111.2
312S48.7Very low54.2Low127 Ų127144.6 Ų144.689%0.88879%0.792SS**  trans91.993.4167.8-52.40000117.2
313D45.7Very low52.8Low152 Ų152143.6 Ų143.681%0.81380%0.801SS**  -159.7100129.4-152.1-81.3000108.8
314S47.2Very low52.1Low120 Ų120144.1 Ų144.184%0.83981%0.814SS**  trans-156.185.3167.9-66.40000107
315E44.4Very low51Low268 Ų268141.6 Ų141.6100%1.25282%0.821SS**  trans-1450139.3-76.2-164108.200108.3

Retrieved 315 of 315 residues in 45.9 ms (Link to these results)