A0A093JTJ7_STRCA Loading...

Tumor protein p53-inducible nuclear protein 1

AlphaFold DB , UniProt , Accession A0A093JTJ7, Species STRCA (Struthio camelus australis), Gene n/a, Length 237 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
1M55.2Low59.1Low208 Ų208139.9 Ų139.9100%1.02570%0.699SS**  0-350-82.6-165.5-88.200113.6Q3 R4M1-Q3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 2.85Å
2F55.1Low58.7Low175 Ų175144.2 Ų144.277%0.76872%0.715SS**Hα-helixtrans-70.8-24.5-178.3-61.5-77.4000116R4 L5 N6F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.18Å; F2-L5 PolarHBondContact O-N 2.8Å; F2-N6 PolarHBondContact O-N 3.04Å
3Q59.8Low58.4Low175 Ų175143.4 Ų143.482%0.81871%0.713SS**Hα-helixtrans-67.8-30.2175.7-67.2-179.98.600112.7M1 L5 N6 S7M1-Q3 PolarHBondContact O-N 2.92Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; Q3-N6 PolarHBondContact O-N 2.78Å; Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å
4R63.7Low58.1Low210 Ų210145.3 Ų145.379%0.79273%0.727SS**Hα-helixtrans-72.6-27.2177.8-167.6175.6-174.1173.12.3112.8M1 F2 S7M1-R4 PolarHBondContact O-N 2.85Å; F2-R4 VanDerWaalsContact C-N 3.3Å; F2-R4 PolarHBondContact O-N 3.18Å; R4-S7 PolarHBondContact O-OG 2.66Å
5L62Low57.7Low94 Ų94140.1 Ų140.149%0.49273%0.725SS.*Hα-helixtrans-75.8-42.7173.2-67.4173000110.3F2 Q3 S7 M8 F9F2-L5 PolarHBondContact O-N 2.8Å; Q3-L5 VanDerWaalsContact C-N 3.34Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.12Å; L5-M8 PolarHBondContact O-N 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 2.99Å
6N57.8Low57Low111 Ų111142 Ų14259%0.59474%0.736SS**Hα-helixtrans-61-38.5178.3-120.7-43.1000112.6F2 Q3 M8 F9 M10F2-N6 PolarHBondContact O-N 3.04Å; Q3-N6 PolarHBondContact O-N 2.78Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 2.96Å; N6-F9 PolarHBondContact O-N 2.95Å; N6-M10 WeakPolarHBondContact O-CB 3.16Å; N6-M10 PolarHBondContact O-N 3.24Å
7S61.3Low56.4Low75 Ų75140.2 Ų140.252%0.52474%0.738SS.*Hα-helixtrans-68.9-22.1175.2610000114.2Q3 R4 L5 G11Q3-S7 PolarHBondContact O-N 3.15Å; Q3-S7 PolarHBondContact O-OG 2.93Å; R4-S7 PolarHBondContact O-OG 2.66Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.12Å; S7-G11 WeakPolarHBondContact O-CA 2.96Å; S7-G11 PolarHBondContact O-N 3.44Å
8M60.4Low56.1Low143 Ų143139.4 Ų139.470%0.70475%0.746SS**Hα-helixtrans-82.8-21.3177.9-150.4179.279.900112.2L5 N6L5-M8 PolarHBondContact O-N 3.24Å; N6-M8 VanDerWaalsContact C-N 3.28Å; N6-M8 PolarHBondContact O-N 2.96Å
9F59.5Low55.8Low154 Ų154141.6 Ų141.668%0.67575%0.751SS**Hα-helixtrans-99.5-24177.6-78-79.4000113.7L5 N6L5-F9 WeakPolarHBondContact O-CD2 3.21Å; L5-F9 PolarHBondContact O-N 2.99Å; N6-F9 PolarHBondContact O-N 2.95Å
10M60.3Low55.2Low130 Ų130143.3 Ų143.364%0.6476%0.755SS**Hα-helixtrans-116.32.7-176-68.3-77.7119.700114.1N6N6-M10 WeakPolarHBondContact O-CB 3.16Å; N6-M10 PolarHBondContact O-N 3.24Å
11G54.9Low55.2Low64 Ų64141.3 Ų141.366%0.6675%0.751SS**SBendtrans-88.95.5-171.600000116.8S7S7-G11 WeakPolarHBondContact O-CA 2.96Å; S7-G11 PolarHBondContact O-N 3.44Å
12E54.1Low54.8Low191 Ų191140 Ų14089%0.89374%0.742SS**SBendtrans-145.559.4-174.6-159.6169.7-162.600112
13I55.2Low54.1Low134 Ų134141 Ų14169%0.68775%0.746SS**  trans-123.1-4.8168.257.2165.1000114.1G15I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.09Å; I13-G15 VanDerWaalsContact O-N 3.09Å
14D54.2Low53.8Low170 Ų170135.4 Ų135.491%0.90973%0.727SS**THydrogen-bonded Turntrans-88.651.8-179.4-72.5-26.1000113
15G52.6Low53.5Low68 Ų68134 Ų13470%0.70173%0.729SS**THydrogen-bonded Turntrans-169.1-1.8-179.600000119.6I13I13-G15 VanDerWaalsContact C-N 3.28Å; I13-G15 PolarHBondContact O-N 3.09Å; I13-G15 VanDerWaalsContact O-N 3.09Å
16L45.9Very low53.3Low170 Ų170136.6 Ų136.689%0.8974%0.736SS**  trans-116.1104.2177.1-68.2174000110.6
17S46.6Very low53.3Low111 Ų111138.6 Ų138.678%0.77674%0.742SS**  trans-22.8128.3158.2178.10000112.6Q19S17-Q19 PolarHBondContact O-N 2.81Å
18S50.5Low53.1Low126 Ų126140.5 Ų140.588%0.88175%0.746SS**  trans-42.894.8168.6-45.70000111.5
19Q50.7Low53.2Low181 Ų181142.6 Ų142.685%0.84675%0.754SS**  trans-125.287.8159.3-167.716730.200105.1S17S17-Q19 PolarHBondContact O-N 2.81Å
20E44.6Very low53.7Low175 Ų175144 Ų14482%0.81876%0.763SS**  trans-46.6131.6157.2-100.9179.314000107.5E22E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 3.09Å
21P54.6Low54.4Low103 Ų103148.6 Ų148.667%0.66977%0.773SS**  trans-63.2101.6160.1-317.9000105.8F23P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 WeakPolarHBondContact O-CD2 3.25Å; P21-F23 PolarHBondContact O-N 2.94Å
22E46.3Very low55.3Low179 Ų179152.3 Ų152.384%0.83678%0.777SS**  trans-63.396.1168.7-168.1177.8-161.400106.4E20 S24E20-E22 VanDerWaalsContact C-N 3.28Å; E20-E22 PolarHBondContact O-N 3.09Å; E22-S24 PolarHBondContact O-N 2.94Å
23F40.9Very low56.2Low197 Ų197150.3 Ų150.386%0.86477%0.771SS**  trans-63.890.2165.4-72.9-86.2000106.8P21 E25P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 WeakPolarHBondContact O-CD2 3.25Å; P21-F23 PolarHBondContact O-N 2.94Å; F23-E25 PolarHBondContact O-N 3.33Å; F23-E25 VanDerWaalsContact O-N 3.09Å
24S54.6Low57.2Low58 Ų58149.3 Ų149.341%0.40677%0.771SS.*  trans-70.2105169.469.50000107.5E22 K26E22-S24 PolarHBondContact O-N 2.94Å; S24-K26 PolarHBondContact O-N 3.22Å; S24-K26 VanDerWaalsContact OG-CE 3.31Å; S24-K26 WeakPolarHBondContact OG-CE 3.33Å; S24-K26 WeakPolarHBondContact OG-CG 2.77Å
25E55.9Low58.1Low179 Ų179147.7 Ų147.784%0.83676%0.763SS**  trans-64.947.9172.3-169.7-167.8163.200111.8F23F23-E25 PolarHBondContact O-N 3.33Å; F23-E25 VanDerWaalsContact O-N 3.09Å
26K59.3Low58.6Low150 Ų150153.2 Ų153.265%0.65277%0.768SS**  trans-117.819-176.467.7176.7177.959.10113.3S24S24-K26 PolarHBondContact O-N 3.22Å; S24-K26 VanDerWaalsContact OG-CE 3.31Å; S24-K26 WeakPolarHBondContact OG-CE 3.33Å; S24-K26 WeakPolarHBondContact OG-CG 2.77Å
27E56.4Low59.6Low153 Ų153151.4 Ų151.472%0.71576%0.758SS**  trans-124.641.1-175.4-66.1-177.3-172.400112.3
28D58.4Low60.1Low115 Ų115150.8 Ų150.862%0.61575%0.749SS**  trans-118.58.1178-60.7-0.6000113.1W31D28-W31 PolarHBondContact O-NE1 2.79Å
29E61.9Low60.4Low187 Ų187150.8 Ų150.887%0.87474%0.739SS**  trans-99.55.8-175.2-64.6-173177.400114.4W31E29-W31 PolarHBondContact O-N 3.23Å
30E69.1Low60.5Low184 Ų184147.6 Ų147.686%0.8673%0.732SS**  trans-86.753.7177.9-151.1175.9-151.700111.8I32E30-I32 PolarHBondContact O-N 2.9Å
31W75.9Confident60.8Low225 Ų225144.6 Ų144.685%0.85273%0.729SS**  trans-81.6105.8168-63.995.5000108.8D28 E29 L33D28-W31 PolarHBondContact O-NE1 2.79Å; E29-W31 PolarHBondContact O-N 3.23Å; W31-L33 PolarHBondContact O-N 3.31Å
32I74.4Confident60.3Low142 Ų142145 Ų14573%0.72873%0.73SS**  trans-63.8119.6171.9-76.4172.2000109.2E30 V34E30-I32 PolarHBondContact O-N 2.9Å; I32-V34 HydrophobicContact CG2-CG2 4.32Å; I32-V34 PolarHBondContact O-N 2.7Å
33L71.8Confident60.2Low149 Ų149143.2 Ų143.278%0.7873%0.726SS**  trans-71111164.3-119.978.3000107.7W31 D35W31-L33 PolarHBondContact O-N 3.31Å; L33-D35 PolarHBondContact O-N 3.14Å
34V76.2Confident60.4Low113 Ų113139.9 Ų139.969%0.68573%0.726SS**  trans-79.6105.2166.1-179.80000106.4I32 F36I32-V34 HydrophobicContact CG2-CG2 4.32Å; I32-V34 PolarHBondContact O-N 2.7Å; V34-F36 PolarHBondContact O-N 2.94Å
35D73.3Confident59.9Low137 Ų137142 Ų14273%0.73374%0.741SS**  trans-58.4106.6167.2-73.4-27.3000107.3L33 I37L33-D35 PolarHBondContact O-N 3.14Å; D35-I37 PolarHBondContact O-N 3Å; D35-I37 VanDerWaalsContact O-N 3.14Å
36F62.8Low59Low184 Ų184138.8 Ų138.881%0.80773%0.734SS**  trans-56.7122.4167.7-100.7-93.8000106.2V34 T38V34-F36 PolarHBondContact O-N 2.94Å; F36-T38 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-OG1 3.16Å
37I66.8Low58.4Low132 Ų132138.8 Ų138.868%0.67774%0.736SS**  trans-64.682.4177.3-48.7169.1000107.8D35 T40D35-I37 PolarHBondContact O-N 3Å; D35-I37 VanDerWaalsContact O-N 3.14Å; I37-T40 HydrophobicContact CG2-CG2 3.82Å; I37-T40 WeakPolarHBondContact CG2-OG1 2.86Å
38T58.4Low58Low98 Ų98140 Ų14060%0.60174%0.742SS**  trans-80.9-3.4164.7410000111.6F36 T42F36-T38 PolarHBondContact O-N 2.83Å; F36-T38 PolarHBondContact O-OG1 3.16Å; T38-T42 PolarHBondContact O-OG1 3.24Å
39D56.2Low57.1Low126 Ų126138.6 Ų138.667%0.67475%0.746SS**THydrogen-bonded Turntrans-1005.8-172.1-66.3-3.9000114.2
40T53.3Low56.4Low113 Ų113136.5 Ų136.569%0.69374%0.741SS**THydrogen-bonded Turntrans-951.3167.742.40000114.3I37I37-T40 HydrophobicContact CG2-CG2 3.82Å; I37-T40 WeakPolarHBondContact CG2-OG1 2.86Å
41C50.5Low55.2Low112 Ų112135.4 Ų135.476%0.75774%0.739SS**SBendtrans-130.93.9179.8-56.50000115.1
42T44.3Very low53.5Low113 Ų113129.9 Ų129.969%0.69373%0.73SS**  trans-106.338.4178.1-45.30000112.1T38T38-T42 PolarHBondContact O-OG1 3.24Å
43N43.7Very low51.7Low141 Ų141130.8 Ų130.875%0.75473%0.732SS**  trans-118.325.1168.8-61.739.1000111.8
44C45.4Very low49.8Very low127 Ų127129.3 Ų129.386%0.85873%0.729SS**SBendtrans-128.568.6167.8-76.70000110.4
45S43.2Very low48Very low102 Ų102129.5 Ų129.571%0.71374%0.735SS**SBendtrans-166.7139.9143.5-170.10000110.5
46T37.4Very low46.2Very low112 Ų112127.6 Ų127.669%0.68774%0.739SS**  trans94.986.8158.7-270000114
47E46.7Very low45.1Very low150 Ų150123.2 Ų123.270%0.70174%0.737SS**  trans-20.1130.4142.344.2-103.1104.300114.6
48E48.5Very low43.8Very low178 Ų178124.6 Ų124.683%0.83275%0.745SS**  trans171.477.7137.4-80-37.1134.500106.4
49A39.3Very low43Very low86 Ų86125.7 Ų125.771%0.71176%0.757SS**  trans-127.296.3162.200000107.6I51A49-I51 PolarHBondContact O-N 2.84Å; A49-I51 VanDerWaalsContact O-N 3.08Å
50D46.9Very low42.4Very low143 Ų143124.7 Ų124.777%0.76576%0.76SS**  trans-29.8104.4152.2176.834.9000111.6
51I43.8Very low42.1Very low160 Ų160124.6 Ų124.682%0.82176%0.761SS**  trans-147.5102.5157.532.3169.4000107.8A49A49-I51 PolarHBondContact O-N 2.84Å; A49-I51 VanDerWaalsContact O-N 3.08Å
52T41.3Very low42Very low109 Ų109124.4 Ų124.467%0.66976%0.756SS**  trans-72.7137.4168.7-52.90000108.5
53E36.2Very low41.8Very low162 Ų162128.4 Ų128.476%0.75776%0.764SS**  trans87.2109.6146.2-87.5178.6-179.700122.5
54T32.5Very low41.9Very low117 Ų117127 Ų12772%0.71877%0.765SS**  113.3112.1122.867.90000120.4
55S36.9Very low41.6Very low117 Ų117126.7 Ų126.782%0.81876%0.763SS**  trans68.3145.8141.8830000118
56A36.1Very low42.1Very low98 Ų98129.6 Ų129.681%0.8177%0.77SS**  cis-154.3163.315.100000109.8
57A39.8Very low42.2Very low92 Ų92130.1 Ų130.176%0.7678%0.775SS**  trans-71.8163.5-176.800000115.3
58D38.7Very low42.1Very low161 Ų161127.4 Ų127.486%0.86178%0.778SS**  trans72.9102.7155.3-84.9-10.5000120.5
59S41.8Very low42.1Very low121 Ų121125 Ų12585%0.84678%0.778SS**  -156.5114.6121.948.10000112
60S43.2Very low42.3Very low104 Ų104128.8 Ų128.873%0.72779%0.786SS**  trans-64.7151152.1179.80000108.4
61P48.1Very low42.5Very low111 Ų111129.9 Ų129.972%0.72179%0.786SS**  -153.1160.954.337.5-13.4000119.8
62V48.4Very low42.3Very low108 Ų108130.5 Ų130.566%0.65579%0.785SS**  trans36.7115.3133.3-171.80000118
63F39.9Very low42.4Very low198 Ų198133.1 Ų133.187%0.86879%0.794SS**  -156.1105.1126.4-99.5-72.5000110.5
64S46.3Very low43.2Very low110 Ų110129.6 Ų129.677%0.76979%0.786SS**  trans-79.7123.3167-58.50000109.3
65C39.3Very low43.7Very low121 Ų121133.1 Ų133.182%0.81879%0.794SS**  trans-130.782.7162.2-77.80000109.1
66L52.6Low44Very low164 Ų164132.1 Ų132.186%0.85979%0.793SS**PPolyproline II helixtrans-85.5139155.1-69170.2000107.4
67P40.6Very low44.8Very low123 Ų123134.5 Ų134.580%0.79979%0.792SS**PPolyproline II helixtrans-75.7129.2173.830.8-29.5000109.3
68A44.9Very low45.3Very low92 Ų92138.5 Ų138.576%0.7680%0.795SS**PPolyproline II helixtrans-76.2146.2174.300000111
69P47.8Very low45.7Very low127 Ų127134.6 Ų134.683%0.82578%0.78SS**PPolyproline II helixtrans-81.2126.3173.427.4-20.5000109.8
70L43.7Very low46.1Very low167 Ų167134.7 Ų134.787%0.87478%0.779SS**  trans-107108.1178.5-162.5135.6000109.6
71E49.8Very low46.1Very low166 Ų166138.3 Ų138.378%0.77678%0.782SS**  trans-82.3150.4164.1-67.7-157.1150.100110.9
72H40.5Very low46.7Very low172 Ų172139.4 Ų139.480%0.79678%0.781SS**  trans98.190.1166.3-66.7162.4000120.6
73L43.8Very low46.9Very low164 Ų164141.5 Ų141.586%0.85978%0.783SS**  -4.7167.5128.7-104.4168.6000119.2
74P53.5Low47.5Very low89 Ų89140.7 Ų140.758%0.57878%0.78SS**  cis-121.2160.2-20.13.521.2000114.5
75E41.6Very low47.7Very low190 Ų190141.4 Ų141.489%0.88878%0.775SS**  trans146.5142.5137.1-86.6150179.100111.8
76A43.4Very low48.4Very low97 Ų97141.4 Ų141.480%0.80278%0.776SS**  trans80.788.5-172.600000115.4E78A76-E78 PolarHBondContact O-N 3.32Å
77N53.1Low48.2Very low148 Ų148138.5 Ų138.579%0.79177%0.768SS**  trans-52.478.1169.7170.450.8000114.1
78E50.5Low48.7Very low175 Ų175137.9 Ų137.982%0.81877%0.765SS**  trans-137.862.4165.4-55.7-62.5163.900108.3A76A76-E78 PolarHBondContact O-N 3.32Å
79S46Very low49.1Very low79 Ų79142.2 Ų142.255%0.55277%0.772SS**  trans-131.282.4-178.6-1490000108.8F81S79-F81 PolarHBondContact O-N 2.9Å; S79-F81 WeakPolarHBondContact OG-CD2 3.4Å; S79-F81 WeakPolarHBondContact OG-CE2 3.33Å
80C51.5Low49.6Very low123 Ų123144.9 Ų144.983%0.83177%0.773SS**  trans-72.552.5170.2-58.10000110.3I82C80-I82 VanDerWaalsContact C-N 3.35Å; C80-I82 PolarHBondContact O-N 3.16Å
81F43.8Very low50.4Low181 Ų181142.7 Ų142.779%0.79476%0.758SS**  trans-76.598159.2-72.3-70.8000106.1S79 Q83S79-F81 PolarHBondContact O-N 2.9Å; S79-F81 WeakPolarHBondContact OG-CD2 3.4Å; S79-F81 WeakPolarHBondContact OG-CE2 3.33Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.38Å
82I58.7Low51Low133 Ų133140.1 Ų140.168%0.68276%0.758SS**  trans-66.9101.5171-49-176.9000105.7C80 F84C80-I82 VanDerWaalsContact C-N 3.35Å; C80-I82 PolarHBondContact O-N 3.16Å; I82-F84 HydrophobicContact CB-CE2 4.48Å; I82-F84 HydrophobicContact CG2-CE2 4.48Å; I82-F84 PolarHBondContact O-N 3.46Å
83Q54.2Low52.2Low152 Ų152142.2 Ų142.271%0.7176%0.759SS**  trans-57.5102.5166.7-179.8179.9-43.600107F81 D85F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 3.38Å; Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact NE2-OD1 3.44Å; Q83-D85 PolarHBondContact O-N 3.49Å
84F52.8Low53Low182 Ų182142.3 Ų142.380%0.79875%0.753SS**  trans-74.787.8172-91.3-88.1000108I82 S86I82-F84 HydrophobicContact CB-CE2 4.48Å; I82-F84 HydrophobicContact CG2-CE2 4.48Å; I82-F84 PolarHBondContact O-N 3.46Å; F84-S86 PolarHBondContact O-N 2.95Å
85D49.3Very low54.1Low124 Ų124144.8 Ų144.866%0.66376%0.76SS**  trans-58123.9161-81.8-19.1000107.5Q83 C87Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact NE2-OD1 3.44Å; Q83-D85 PolarHBondContact O-N 3.49Å; D85-C87 PolarHBondContact O-N 3.39Å
86S53.6Low55.4Low121 Ų121141.7 Ų141.785%0.84676%0.755SS**  trans-61.2102.7-168.3-59.50000111.5F84F84-S86 PolarHBondContact O-N 2.95Å
87C48.7Very low56.6Low103 Ų103139.8 Ų139.870%0.69673%0.734SS**  trans-74.5128.2167.2-170.50000108.8D85 M89D85-C87 PolarHBondContact O-N 3.39Å; C87-M89 PolarHBondContact O-N 3.23Å
88P51.1Low57.6Low111 Ų111136 Ų13672%0.72172%0.718SS**  trans-64.1106.2-175.625.4-33.8000111.6E90P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.4Å
89M53.8Low58.3Low183 Ų183132.9 Ų132.990%0.90171%0.712SS**SBendtrans22.622.9153.1-124.6178.579.800123.2C87C87-M89 PolarHBondContact O-N 3.23Å
90E57.6Low58.9Low183 Ų183134.1 Ų134.186%0.85572%0.72SS**  trans-121.415.2-175.3-142160.6-156.200115.3P88P88-E90 VanDerWaalsContact C-N 3.27Å; P88-E90 PolarHBondContact O-N 3.4Å
91E60.2Low59.3Low120 Ų120135.6 Ų135.656%0.56171%0.712SS**  trans-141.655.1176.4-63.1176.2172.600111.3W93 F94E91-W93 VanDerWaalsContact C-N 3.29Å; E91-W93 PolarHBondContact O-N 2.89Å; E91-F94 HydrophobicContact CB-CE2 3.72Å; E91-F94 HydrophobicContact CB-CZ 4.13Å; E91-F94 WeakPolarHBondContact O-CD2 3.39Å; E91-F94 WeakPolarHBondContact O-CE2 3.36Å; E91-F94 WeakPolarHBondContact OE2-CZ 3.45Å
92S63.7Low60Low112 Ų112131.8 Ų131.878%0.78370%0.704SS**  trans-73.576.7173-63.70000111.8
93W64.4Low59.9Low216 Ų216129.5 Ų129.582%0.81871%0.705SS**  trans-169.944152.258.6-78.7000112.2E91 I95E91-W93 VanDerWaalsContact C-N 3.29Å; E91-W93 PolarHBondContact O-N 2.89Å; W93-I95 PolarHBondContact O-N 2.98Å
94F61.5Low60.1Low167 Ų167125.6 Ų125.673%0.73271%0.705SS**  trans-7382.8164.2-65.1-73.9000109.2E91 T96E91-F94 HydrophobicContact CB-CE2 3.72Å; E91-F94 HydrophobicContact CB-CZ 4.13Å; E91-F94 WeakPolarHBondContact O-CD2 3.39Å; E91-F94 WeakPolarHBondContact O-CE2 3.36Å; E91-F94 WeakPolarHBondContact OE2-CZ 3.45Å; F94-T96 PolarHBondContact O-N 3.12Å
95I75.7Confident60.4Low141 Ų141120 Ų12072%0.72370%0.7SS**  trans-68.3111.1161.8-65.3171.2000105.4W93 P97W93-I95 PolarHBondContact O-N 2.98Å; I95-P97 VanDerWaalsContact O-CD 3.25Å; I95-P97 WeakPolarHBondContact O-CD 3.24Å; I95-P97 VanDerWaalsContact O-N 3.07Å
96T69.9Low60.7Low125 Ų125122.4 Ų122.477%0.76771%0.712SS**  trans-59.3113.4168.9-53.40000107.3F94F94-T96 PolarHBondContact O-N 3.12Å
97P69.5Low60.5Low57 Ų57121.7 Ų121.737%0.3770%0.702SS.*  trans-66.3151.2-176.430.4-35.7000108.8I95 F101I95-P97 VanDerWaalsContact O-CD 3.25Å; I95-P97 WeakPolarHBondContact O-CD 3.24Å; I95-P97 VanDerWaalsContact O-N 3.07Å; P97-F101 HydrophobicContact CB-CB 3.73Å; P97-F101 HydrophobicContact CB-CD2 4.24Å; P97-F101 HydrophobicContact CB-CG 3.98Å; P97-F101 HydrophobicContact CG-CB 4.05Å
98P72.5Confident60.8Low69 Ų69123.7 Ų123.745%0.44871%0.711SS.*  trans-49.6151.4-179.5-27.433.2000111.9C100 F101P98-C100 PolarHBondContact O-N 3.12Å; P98-F101 HydrophobicContact CB-CD2 4.13Å; P98-F101 HydrophobicContact CG-CD2 4.15Å; P98-F101 HydrophobicContact CG-CE2 4.24Å; P98-F101 WeakPolarHBondContact O-CB 3.42Å; P98-F101 PolarHBondContact O-N 3.35Å
99P66Low61.1Low109 Ų109124.5 Ų124.571%0.70871%0.708SS**Hα-helixtrans-54.3-24-175.3-25.632.9000114.5F101 T102 A103P99-F101 PolarHBondContact O-N 3.44Å; P99-T102 PolarHBondContact O-N 3.23Å; P99-A103 WeakPolarHBondContact O-CB 3.5Å; P99-A103 PolarHBondContact O-N 3.01Å
100C58Low61.4Low105 Ų105123.4 Ų123.471%0.70970%0.698SS**Hα-helixtrans-68.3-11.8173.5480000114.8P98P98-C100 PolarHBondContact O-N 3.12Å
101F61.3Low61.7Low154 Ų154120 Ų12068%0.67569%0.69SS**Hα-helixtrans-93.1-25.1170.8-74.3-93.6000112.8P97 P98 P99P97-F101 HydrophobicContact CB-CB 3.73Å; P97-F101 HydrophobicContact CB-CD2 4.24Å; P97-F101 HydrophobicContact CB-CG 3.98Å; P97-F101 HydrophobicContact CG-CB 4.05Å; P98-F101 HydrophobicContact CB-CD2 4.13Å; P98-F101 HydrophobicContact CG-CD2 4.15Å; P98-F101 HydrophobicContact CG-CE2 4.24Å; P98-F101 WeakPolarHBondContact O-CB 3.42Å; P98-F101 PolarHBondContact O-N 3.35Å; P99-F101 PolarHBondContact O-N 3.44Å
102T57.7Low62Low100 Ų100120.8 Ų120.861%0.61369%0.694SS**Hα-helixtrans-102-8.2-178.118.80000113.7P99 G104P99-T102 PolarHBondContact O-N 3.23Å; T102-G104 PolarHBondContact O-N 3.28Å; T102-G104 VanDerWaalsContact O-N 3.09Å
103A56.8Low62.2Low86 Ų86120.5 Ų120.571%0.71169%0.687SS**  trans-73.813.6172.800000114.5P99 G105P99-A103 WeakPolarHBondContact O-CB 3.5Å; P99-A103 PolarHBondContact O-N 3.01Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.33Å; A103-G105 VanDerWaalsContact O-N 3.12Å
104G57.3Low62.4Low69 Ų69113.2 Ų113.271%0.71167%0.669SS**  trans-82.868.1172.600000111.7T102 L106T102-G104 PolarHBondContact O-N 3.28Å; T102-G104 VanDerWaalsContact O-N 3.09Å; G104-L106 PolarHBondContact O-N 2.91Å; G104-L106 VanDerWaalsContact O-N 3.15Å
105G58.9Low62.8Low66 Ų66111.3 Ų111.368%0.6867%0.674SS**  trans-61.6113.2169.100000110.8A103 T107A103-G105 VanDerWaalsContact C-N 3.29Å; A103-G105 PolarHBondContact O-N 3.33Å; A103-G105 VanDerWaalsContact O-N 3.12Å; G105-T107 PolarHBondContact O-N 2.77Å
106L55.8Low62Low174 Ų174111.1 Ų111.191%0.91167%0.671SS**SBendtrans50.450.7151.6-143.282.7000117.7G104G104-L106 PolarHBondContact O-N 2.91Å; G104-L106 VanDerWaalsContact O-N 3.15Å
107T49.8Very low61.8Low105 Ų105109.9 Ų109.964%0.64466%0.657SS**  trans-139.5114.2145.552.20000107.9G105 I109G105-T107 PolarHBondContact O-N 2.77Å; T107-I109 PolarHBondContact O-N 3.06Å
108T55.4Low61.4Low145 Ų145112.9 Ų112.989%0.8967%0.67SS**  trans-64.283.6157.550.60000105.9K110T108-K110 PolarHBondContact O-N 3.07Å
109I57Low61.2Low129 Ų129115.4 Ų115.466%0.66268%0.679SS**  trans-62.196.8167.2-67.5173.8000103.9T107 V111T107-I109 PolarHBondContact O-N 3.06Å; I109-V111 HydrophobicContact CG2-CG2 3.9Å; I109-V111 PolarHBondContact O-N 3.17Å
110K59.9Low61.1Low160 Ų160117.1 Ų117.170%0.69668%0.681SS**  trans-6390.2166.7-176-168176.8-1560104.7T108 E112T108-K110 PolarHBondContact O-N 3.07Å; K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 WeakPolarHBondContact CE-OE1 3.37Å; K110-E112 IonicContact NZ-OE1 2.66Å; K110-E112 PolarHBondContact NZ-OE1 3.15Å; K110-E112 PolarHBondContact O-N 3.42Å
111V63.4Low61.4Low111 Ų111117.7 Ų117.767%0.67368%0.676SS**  trans-64.8100.7171178.80000104.8I109 T113I109-V111 HydrophobicContact CG2-CG2 3.9Å; I109-V111 PolarHBondContact O-N 3.17Å; V111-T113 PolarHBondContact O-N 3.34Å; V111-T113 VanDerWaalsContact O-N 3.09Å
112E68.2Low61.3Low137 Ų137116.6 Ų116.664%0.6467%0.673SS**  trans-63.6110.4173.6-68.7-100.9144.500107K110 S114K110-E112 VanDerWaalsContact C-N 3.3Å; K110-E112 WeakPolarHBondContact CE-OE1 3.37Å; K110-E112 IonicContact NZ-OE1 2.66Å; K110-E112 PolarHBondContact NZ-OE1 3.15Å; K110-E112 PolarHBondContact O-N 3.42Å; E112-S114 PolarHBondContact O-N 3.46Å; E112-S114 VanDerWaalsContact O-N 3.14Å
113T66.4Low61.3Low105 Ų105117.9 Ų117.964%0.64467%0.672SS**  trans-63.5105.9172.445.70000108.6V111 E117V111-T113 PolarHBondContact O-N 3.34Å; V111-T113 VanDerWaalsContact O-N 3.09Å; T113-E117 WeakPolarHBondContact CA-OE1 3.42Å; T113-E117 WeakPolarHBondContact CB-OE1 3.35Å; T113-E117 WeakPolarHBondContact CG2-OE1 3.32Å
114S70Confident61.6Low64 Ų64120.3 Ų120.345%0.44868%0.68SS.*  trans-68132.6-176.5176.80000109.8E112 M116 E117E112-S114 PolarHBondContact O-N 3.46Å; E112-S114 VanDerWaalsContact O-N 3.14Å; S114-M116 PolarHBondContact O-N 3.33Å; S114-E117 PolarHBondContact N-OE1 3.04Å; S114-E117 VanDerWaalsContact N-OE1 3.16Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 VanDerWaalsContact O-CG 3.24Å; S114-E117 WeakPolarHBondContact O-CG 3.41Å; S114-E117 PolarHBondContact O-N 3.37Å
115P68.3Low61.6Low127 Ų127122 Ų12283%0.82568%0.682SS**THydrogen-bonded Turntrans-54.3-18.1-178.3-26.333.4000115.5
116M59.3Low61.6Low137 Ų137123.2 Ų123.268%0.67567%0.671SS**THydrogen-bonded Turntrans-90.2-11178.5-78.2176.15700114.7S114 N118 L119S114-M116 PolarHBondContact O-N 3.33Å; M116-N118 PolarHBondContact O-N 3.24Å; M116-L119 HydrophobicContact CB-CD1 4.09Å; M116-L119 HydrophobicContact CG-CD1 3.91Å; M116-L119 WeakPolarHBondContact O-CB 3.37Å; M116-L119 WeakPolarHBondContact O-CG 3.34Å; M116-L119 PolarHBondContact O-N 3.3Å; M116-L119 VanDerWaalsContact O-N 3.16Å
117E65.7Low61.8Low98 Ų98119.8 Ų119.846%0.45866%0.661SS.*G310 helixtrans-72.8-19.4-174.280.1-161.1150.200113.1T113 S114 L119T113-E117 WeakPolarHBondContact CA-OE1 3.42Å; T113-E117 WeakPolarHBondContact CB-OE1 3.35Å; T113-E117 WeakPolarHBondContact CG2-OE1 3.32Å; S114-E117 PolarHBondContact N-OE1 3.04Å; S114-E117 VanDerWaalsContact N-OE1 3.16Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 VanDerWaalsContact O-CG 3.24Å; S114-E117 WeakPolarHBondContact O-CG 3.41Å; S114-E117 PolarHBondContact O-N 3.37Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.94Å
118N62.3Low62.1Low121 Ų121120.6 Ų120.665%0.64767%0.666SS**G310 helixtrans-84.43.5173.5-79-20.4000113.9M116 L120M116-N118 PolarHBondContact O-N 3.24Å; N118-L120 VanDerWaalsContact C-N 3.26Å; N118-L120 PolarHBondContact O-N 2.99Å
119L68.3Low61.9Low122 Ų122123.4 Ų123.464%0.63966%0.661SS**G310 helixtrans-82.6-2.6178.5-59.8177.9000113.4M116 E117M116-L119 HydrophobicContact CB-CD1 4.09Å; M116-L119 HydrophobicContact CG-CD1 3.91Å; M116-L119 WeakPolarHBondContact O-CB 3.37Å; M116-L119 WeakPolarHBondContact O-CG 3.34Å; M116-L119 PolarHBondContact O-N 3.3Å; M116-L119 VanDerWaalsContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.29Å; E117-L119 PolarHBondContact O-N 2.94Å
120L63.1Low62.1Low145 Ų145121 Ų12176%0.75966%0.661SS**G310 helixtrans-121.425.9-177.7-63.8178.4000113.8N118 E122N118-L120 VanDerWaalsContact C-N 3.26Å; N118-L120 PolarHBondContact O-N 2.99Å; L120-E122 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact O-N 3.12Å
121I63.9Low61.8Low117 Ų117118.1 Ų118.160%0.666%0.656SS**  trans-84.654.7155.454167.9000109.6H123I121-H123 VanDerWaalsContact C-N 3.32Å; I121-H123 PolarHBondContact O-N 3.16Å
122E60.4Low61.3Low130 Ų130121.8 Ų121.861%0.60767%0.666SS**  trans-67.295.8164.6175.6163.2-161.300107.5L120 M126L120-E122 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact O-N 3.12Å; E122-M126 HydrophobicContact CB-CE 3.69Å; E122-M126 HydrophobicContact CG-CB 4.37Å; E122-M126 HydrophobicContact CG-CE 3.65Å
123H57.3Low60.6Low127 Ų127122.3 Ų122.359%0.58867%0.673SS**  trans-62.2144.6167.1-69.9-79.7000108.7I121 S125 M126I121-H123 VanDerWaalsContact C-N 3.32Å; I121-H123 PolarHBondContact O-N 3.16Å; H123-S125 PolarHBondContact O-N 2.95Å; H123-M126 WeakPolarHBondContact O-CB 3.43Å; H123-M126 PolarHBondContact O-N 3.31Å
124P63.2Low59.7Low137 Ų137122.2 Ų122.289%0.8967%0.672SS**THydrogen-bonded Turntrans-66.614.2176.228-35.5000114.3
125S57.2Low58.9Low106 Ų106125.7 Ų125.774%0.74170%0.695SS**THydrogen-bonded Turntrans-119.76.7171.4-50.80000112.7H123 S127H123-S125 PolarHBondContact O-N 2.95Å; S125-S127 PolarHBondContact O-N 2.94Å
126M58.8Low57.8Low91 Ų91126.8 Ų126.845%0.44869%0.689SS.*  trans-75.488.2-178.9-157.2164.978.200110E122 H123E122-M126 HydrophobicContact CB-CE 3.69Å; E122-M126 HydrophobicContact CG-CB 4.37Å; E122-M126 HydrophobicContact CG-CE 3.65Å; H123-M126 WeakPolarHBondContact O-CB 3.43Å; H123-M126 PolarHBondContact O-N 3.31Å
127S60.8Low57.2Low101 Ų101125.5 Ų125.571%0.70669%0.693SS**  trans-117.6147158.359.80000108.6S125S125-S127 PolarHBondContact O-N 2.94Å
128V55.8Low56.4Low123 Ų123125.5 Ų125.575%0.74570%0.696SS**  trans90.474.3170.6-160.30000116.1A130V128-A130 VanDerWaalsContact C-N 3.32Å; V128-A130 HydrophobicContact CG1-CB 3.68Å; V128-A130 PolarHBondContact O-N 3.14Å
129Y49.9Very low55.8Low204 Ų204126.6 Ų126.680%0.870%0.702SS**  trans-74.792.8134.2-71.5-79.6000107.9V131Y129-V131 HydrophobicContact CD1-CG2 4.5Å
130A61.2Low54.3Low78 Ų78128.4 Ų128.465%0.64571%0.707SS**  trans-93.783.8153.600000106.6V128V128-A130 VanDerWaalsContact C-N 3.32Å; V128-A130 HydrophobicContact CG1-CB 3.68Å; V128-A130 PolarHBondContact O-N 3.14Å
131V54.8Low53.5Low99 Ų99128 Ų12860%0.671%0.711SS**  trans-110.579.7165.7-179.30000107.4Y129Y129-V131 HydrophobicContact CD1-CG2 4.5Å
132H52.7Low52.2Low188 Ų188128.1 Ų128.187%0.8772%0.722SS**  trans-12671.3147.2-71.1-72.4000107.3T134H132-T134 VanDerWaalsContact C-N 3.31Å; H132-T134 PolarHBondContact O-N 2.69Å; H132-T134 VanDerWaalsContact O-N 3.12Å
133N53.7Low51.2Low149 Ų149127.9 Ų127.980%0.79773%0.733SS**  trans-71.392.2159-75.5-14.8000107.8
134T47.3Very low50.1Low103 Ų103125.6 Ų125.663%0.63274%0.744SS**  trans-139.888152.1-45.60000108.6H132 H136H132-T134 VanDerWaalsContact C-N 3.31Å; H132-T134 PolarHBondContact O-N 2.69Å; H132-T134 VanDerWaalsContact O-N 3.12Å; T134-H136 HydrophobicContact CG2-CB 3.83Å; T134-H136 PolarHBondContact O-N 3.49Å
135C52.3Low48.8Very low137 Ų137125.6 Ų125.693%0.92674%0.736SS**  trans-60.884.4145.8-65.40000107.6S137C135-S137 VanDerWaalsContact C-N 3.31Å; C135-S137 PolarHBondContact O-N 3.46Å
136H44.9Very low48.1Very low149 Ų149128 Ų12869%0.6974%0.736SS**  trans-91.382.8158.4-124.7-70.6000106.5T134 L138T134-H136 HydrophobicContact CG2-CB 3.83Å; T134-H136 PolarHBondContact O-N 3.49Å; H136-L138 VanDerWaalsContact C-N 3.35Å; H136-L138 PolarHBondContact O-N 3.08Å; H136-L138 VanDerWaalsContact O-N 3.15Å
137S48.5Very low47Very low110 Ų110131 Ų13177%0.76975%0.749SS**  trans-62.7102.9152.9-179.20000106.4C135C135-S137 VanDerWaalsContact C-N 3.31Å; C135-S137 PolarHBondContact O-N 3.46Å
138L47.9Very low45.8Very low98 Ų98133.6 Ų133.651%0.51375%0.748SS.*  trans-14594157.6-154.1140.9000108.2H136 E140H136-L138 VanDerWaalsContact C-N 3.35Å; H136-L138 PolarHBondContact O-N 3.08Å; H136-L138 VanDerWaalsContact O-N 3.15Å; L138-E140 VanDerWaalsContact C-N 3.33Å; L138-E140 HydrophobicContact CD2-CB 3.67Å; L138-E140 HydrophobicContact CD2-CG 3.29Å; L138-E140 WeakPolarHBondContact CD2-OE2 3.46Å; L138-E140 PolarHBondContact O-N 3.04Å
139N50.3Low44.8Very low145 Ų145135.6 Ų135.678%0.77575%0.749SS**  trans-50.889.6153.454.3-15.9000111.2
140E36.8Very low44.2Very low160 Ų160131.8 Ų131.875%0.74875%0.752SS**  trans-115.1104.4161-97.8176.816600110.4L138 S142L138-E140 VanDerWaalsContact C-N 3.33Å; L138-E140 HydrophobicContact CD2-CB 3.67Å; L138-E140 HydrophobicContact CD2-CG 3.29Å; L138-E140 WeakPolarHBondContact CD2-OE2 3.46Å; L138-E140 PolarHBondContact O-N 3.04Å; E140-S142 PolarHBondContact O-N 3.35Å
141T46.2Very low43.4Very low136 Ų136134.2 Ų134.283%0.83476%0.761SS**  trans-53100.4161.748.90000109.5
142S35.3Very low42.4Very low120 Ų120133.1 Ų133.184%0.83977%0.769SS**  trans-100.5100.4163.6-170.40000109.1E140E140-S142 PolarHBondContact O-N 3.35Å
143C39.4Very low41.6Very low125 Ų125130 Ų13085%0.84577%0.768SS**  trans-63.8151.5163-710000111.5
144G34.8Very low41.2Very low78 Ų78128.2 Ų128.280%0.80477%0.765SS**  trans124.7118.8171.800000110.2
145N36.7Very low40.8Very low138 Ų138133.4 Ų133.474%0.73877%0.773SS**  cis-154.7149.215-164.914.5000108
146E42.6Very low40.2Very low156 Ų156136.2 Ų136.273%0.72978%0.775SS**  trans-62.2147178.851.4-123.7144.100114.7
147E34.9Very low39.9Very low153 Ų153136.8 Ų136.872%0.71578%0.778SS**  trans-175.5102.2142.2-155.982.415800112.6
148F35Very low39.5Very low157 Ų157136.2 Ų136.269%0.68978%0.78SS**  trans69.2111.5149.8-54.4-45.7000126.8
149H35.2Very low39.3Very low165 Ų165141.3 Ų141.376%0.76479%0.793SS**  trans13.5126.5141.4-52.1-64.7000122.6
150S37.5Very low39.1Very low124 Ų124141.8 Ų141.887%0.86780%0.795SS**  -160.1120.9125.7-81.40000110.6
151P45.4Very low39.6Very low129 Ų129141.7 Ų141.784%0.83879%0.794SS**  trans-97.7133.9173.734.4-25.5000110.7
152G32.6Very low39.7Very low75 Ų75143 Ų14377%0.77379%0.793SS**  trans-162.981.6175.600000115.5
153S36.3Very low40.3Very low122 Ų122141 Ų14185%0.85379%0.792SS**  trans75.2159.3139.2-114.90000120.8
154P45.6Very low40.8Very low112 Ų112144.1 Ų144.173%0.72779%0.794SS**  -118.9155.2-11923.4-0.1000114.7
155R38.6Very low41.5Very low212 Ų212147 Ų14780%0.879%0.786SS**  trans49.4109.3142.3-161-179.1-163.1-172.34.4118.1E157R155-E157 IonicContact NH2-OE2 2.68Å
156M39Very low42.4Very low197 Ų197146.3 Ų146.397%0.9779%0.787SS**  -143.9111.6127.5-108176.4-18000110
157E40.3Very low43Very low160 Ų160144.8 Ų144.875%0.74878%0.779SS**  trans-80.3115.8174.5-174.8168.5-160.500107.6R155R155-E157 IonicContact NH2-OE2 2.68Å
158A39.4Very low43.7Very low98 Ų98143 Ų14381%0.8178%0.782SS**  trans-148.681.2165.100000108.7N160A158-N160 PolarHBondContact O-N 3.27Å
159R43.8Very low44.9Very low206 Ų206145.2 Ų145.278%0.77779%0.788SS**  trans-64.5121.1160.7178.3179.4179-177-0.8107.7
160N45.4Very low46.1Very low155 Ų155144 Ų14483%0.82979%0.791SS**  trans-159.2117.6145.9-103.4-61.4000110.5A158A158-N160 PolarHBondContact O-N 3.27Å
161E48.3Very low47Very low157 Ų157142.5 Ų142.573%0.73479%0.786SS**  trans-75.2123.5172.3-65165.3-160.500109
162M47.5Very low47.9Very low165 Ų165141 Ų14181%0.81379%0.785SS**  trans-161.6130.3149.425.178.8138.800110.6Q164M162-Q164 PolarHBondContact O-N 3.28Å
163G48.5Very low49.2Very low78 Ų78145.3 Ų145.380%0.80479%0.79SS**  trans-54.2129.2-168.100000113.5H165G163-H165 PolarHBondContact O-N 3.31Å
164Q48.6Very low50.1Low190 Ų190143.9 Ų143.989%0.88879%0.785SS**  trans-75.293.5173.8-70.9-178.4-7.900109.1M162 V166M162-Q164 PolarHBondContact O-N 3.28Å; Q164-V166 PolarHBondContact O-N 3.03Å
165H50.3Low50.3Low137 Ų137145.3 Ų145.363%0.63479%0.792SS**  trans-61.9107.7168.7-174.1-72.1000109.5G163 H167G163-H165 PolarHBondContact O-N 3.31Å; H165-H167 AromaticContact CE1-CD2 3.54Å; H165-H167 AromaticContact CE1-CE1 3.12Å; H165-H167 PolarHBondContact CE1-CE1 3.23Å; H165-H167 AromaticContact CE1-CG 3.72Å; H165-H167 AromaticContact CE1-ND1 3.47Å; H165-H167 PolarHBondContact CE1-ND1 3.25Å; H165-H167 AromaticContact CE1-NE2 3.15Å; H165-H167 PolarHBondContact CE1-NE2 3.21Å; H165-H167 AromaticContact CG-NE2 3.96Å; H165-H167 AromaticContact ND1-CD2 3.02Å; H165-H167 PolarHBondContact ND1-CD2 3.09Å; H165-H167 AromaticContact ND1-CE1 3.49Å; H165-H167 PolarHBondContact ND1-CE1 3.21Å; H165-H167 AromaticContact ND1-CG 3.45Å; H165-H167 AromaticContact ND1-ND1 3.71Å; H165-H167 AromaticContact ND1-NE2 3.05Å; H165-H167 PolarHBondContact ND1-NE2 3.34Å; H165-H167 PolarHBondContact O-N 3.49Å
166V56.4Low50.8Low125 Ų125146.7 Ų146.776%0.75880%0.797SS**  trans-72.598.9176.4-178.20000108.8Q164 C168Q164-V166 PolarHBondContact O-N 3.03Å; V166-C168 PolarHBondContact O-N 3.44Å
167H54.4Low51.5Low123 Ų123143 Ų14357%0.56979%0.791SS**  trans-86.1102.2169-84-74.8000110H165 Y169H165-H167 AromaticContact CE1-CD2 3.54Å; H165-H167 AromaticContact CE1-CE1 3.12Å; H165-H167 PolarHBondContact CE1-CE1 3.23Å; H165-H167 AromaticContact CE1-CG 3.72Å; H165-H167 AromaticContact CE1-ND1 3.47Å; H165-H167 PolarHBondContact CE1-ND1 3.25Å; H165-H167 AromaticContact CE1-NE2 3.15Å; H165-H167 PolarHBondContact CE1-NE2 3.21Å; H165-H167 AromaticContact CG-NE2 3.96Å; H165-H167 AromaticContact ND1-CD2 3.02Å; H165-H167 PolarHBondContact ND1-CD2 3.09Å; H165-H167 AromaticContact ND1-CE1 3.49Å; H165-H167 PolarHBondContact ND1-CE1 3.21Å; H165-H167 AromaticContact ND1-CG 3.45Å; H165-H167 AromaticContact ND1-ND1 3.71Å; H165-H167 AromaticContact ND1-NE2 3.05Å; H165-H167 PolarHBondContact ND1-NE2 3.34Å; H165-H167 PolarHBondContact O-N 3.49Å; H167-Y169 HydrophobicContact CB-CD2 4.02Å; H167-Y169 HydrophobicContact CB-CE2 3.81Å; H167-Y169 PolarHBondContact O-N 3.48Å
168C50.6Low52.1Low116 Ų116140.5 Ų140.578%0.78479%0.791SS**  trans-77.8102.4167.7-74.30000110V166V166-C168 PolarHBondContact O-N 3.44Å
169Y59.4Low52.6Low204 Ų204143.9 Ų143.980%0.879%0.788SS**  trans-95.5116.9166.5-78.9-86.4000109.6H167H167-Y169 HydrophobicContact CB-CD2 4.02Å; H167-Y169 HydrophobicContact CB-CE2 3.81Å; H167-Y169 PolarHBondContact O-N 3.48Å
170V59.6Low53.1Low138 Ų138142 Ų14284%0.83679%0.792SS**  trans-102.1111.7166.4-179.10000107.5
171A58.1Low53.3Low93 Ų93141.3 Ų141.377%0.76978%0.784SS**  trans-81.9117.2172.200000109.3L173A171-L173 PolarHBondContact O-N 3.46Å
172A62.4Low53.3Low98 Ų98142.5 Ų142.581%0.8179%0.787SS**  trans-79.2117.1172.100000109.8A174A172-A174 PolarHBondContact O-N 3.01Å
173L60Low53Low166 Ų166142.5 Ų142.587%0.86979%0.79SS**  trans-81.2111.9169.2-67.4176.8000109.2A171 T175A171-L173 PolarHBondContact O-N 3.46Å; L173-T175 PolarHBondContact O-N 2.91Å
174A55.8Low53Low92 Ų92147.9 Ų147.976%0.7679%0.791SS**  trans-77.1110.5171.300000109.9A172 R176A172-A174 PolarHBondContact O-N 3.01Å; A174-R176 PolarHBondContact O-N 3.23Å; A174-R176 VanDerWaalsContact O-N 3.14Å
175T50.8Low53.2Low141 Ų141143.7 Ų143.787%0.86578%0.783SS**  trans-73.699.8170.244.20000109.4L173 S177L173-T175 PolarHBondContact O-N 2.91Å; T175-S177 PolarHBondContact O-N 3.41Å; T175-S177 VanDerWaalsContact O-N 3.17Å
176R48.5Very low53Low242 Ų242146.1 Ų146.191%0.91379%0.792SS**  trans-73104168.4-67.7-178.469.5175.21.1108.5A174 S178A174-R176 PolarHBondContact O-N 3.23Å; A174-R176 VanDerWaalsContact O-N 3.14Å; R176-S178 PolarHBondContact O-N 3.5Å
177S53.5Low53Low119 Ų119151 Ų15183%0.83280%0.797SS**  trans-75.1117.3167.9-178.90000109.2T175T175-S177 PolarHBondContact O-N 3.41Å; T175-S177 VanDerWaalsContact O-N 3.17Å
178S52.5Low52.7Low108 Ų108150.2 Ų150.276%0.75580%0.803SS**  trans-81.4118.5174.154.20000110.2R176 L180R176-S178 PolarHBondContact O-N 3.5Å; S178-L180 PolarHBondContact O-N 3.05Å
179F51.2Low52.9Low169 Ų169148.8 Ų148.874%0.74179%0.794SS**  trans-63.6110169.5179.4-100.7000110.5E181F179-E181 HydrophobicContact CD1-CB 4.36Å; F179-E181 HydrophobicContact CE1-CB 3.65Å; F179-E181 WeakPolarHBondContact CE1-OE2 3.4Å; F179-E181 HydrophobicContact CE2-CB 4.44Å; F179-E181 HydrophobicContact CZ-CB 3.71Å; F179-E181 HydrophobicContact CZ-CG 4.32Å; F179-E181 WeakPolarHBondContact CZ-OE2 3.31Å
180L52.7Low52.9Low166 Ų166145.7 Ų145.787%0.86979%0.786SS**  trans-116.191.7165.4-172.267.7000108.7S178S178-L180 PolarHBondContact O-N 3.05Å
181E49.9Very low52.6Low140 Ų140148 Ų14865%0.65478%0.78SS**  trans-75.5114.5166.9-175.9-175.7162.200108.9F179F179-E181 HydrophobicContact CD1-CB 4.36Å; F179-E181 HydrophobicContact CE1-CB 3.65Å; F179-E181 WeakPolarHBondContact CE1-OE2 3.4Å; F179-E181 HydrophobicContact CE2-CB 4.44Å; F179-E181 HydrophobicContact CZ-CB 3.71Å; F179-E181 HydrophobicContact CZ-CG 4.32Å; F179-E181 WeakPolarHBondContact CZ-OE2 3.31Å
182K48.6Very low52.3Low183 Ų183150.7 Ų150.780%0.79678%0.78SS**  trans174.496.3150.9-97.9160.8-174.4178.90110
183N40.7Very low52.1Low164 Ų164153 Ų15388%0.87777%0.772SS**  175.2152119.2-100.4-78.1000111.2
184K50.3Low51.7Low191 Ų191149.8 Ų149.883%0.8375%0.752SS**  trans-66.4153.2-169.1-65.6167.3167.9177.20112.8
185S52.5Low51.4Low103 Ų103151.2 Ų151.272%0.7274%0.743SS**  trans98.1137.9154.482.60000118.5
186F45.8Very low51.5Low188 Ų188149.9 Ų149.983%0.82573%0.731SS**  trans76.295.3169.5-67.6-84.9000118.6
187R56.6Low51.8Low227 Ų227144.9 Ų144.986%0.85772%0.718SS**  trans-60.6126.1138.7-74.3-91.2-169.7178.41.4106.9
188P46.9Very low51.9Low107 Ų107146.3 Ų146.370%0.69571%0.705SS**  -108.2132.8113-19.134.7000113.1
189S56.1Low52.1Low86 Ų86147 Ų14760%0.60170%0.696SS**  trans-41.2140.8168.5-45.50000114.5
190H58.2Low52.3Low138 Ų138142.6 Ų142.664%0.63969%0.685SS**  46.483.2129.9-164.7-90.5000117.4
191W54.4Low52.7Low188 Ų188141.6 Ų141.671%0.71268%0.68SS**  trans-142.36.3164.863.5-89.9000115.5
192I52Low53.9Low149 Ų149138.6 Ų138.676%0.76467%0.668SS**SBendtrans-117.752.6166.6-61.8160000108.7
193K57.3Low55.1Low147 Ų147138.5 Ų138.564%0.63966%0.663SS**SBendtrans-150.224.4164.2-149.7-168174.5-165.90112.1
194E52.3Low57.2Low97 Ų97134.9 Ų134.945%0.45364%0.644SS.*SBendtrans-106.2-31.1175.6-165.5172173.200111.5R198E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 IonicContact OE1-NH2 3.74Å; E194-R198 PolarHBondContact OE1-NH2 2.84Å
195H47.8Very low58.7Low122 Ų122126.7 Ų126.757%0.56561%0.61SS**Hα-helixtrans-75.8-24.3175.3-72.6-78.1000113.7H199H195-H199 PolarHBondContact O-CD2 2.91Å; H195-H199 PolarHBondContact O-N 2.9Å
196N53.3Low60.1Low114 Ų114127.7 Ų127.761%0.6160%0.602SS**Hα-helixtrans-71.6-35.5178.8-154.5-70.2000111.8H199 C200N196-H199 PolarHBondContact O-N 3.09Å; N196-C200 PolarHBondContact O-N 2.8Å; N196-C200 PolarHBondContact O-SG 3.45Å
197E55.2Low61.7Low137 Ų137125.9 Ų125.964%0.6459%0.59SS**Hα-helixtrans-68.6-42.8178.9-169.3174176.700111.9H199 C200E197-H199 PolarHBondContact O-N 2.77Å; E197-C200 PolarHBondContact O-N 3.45Å; E197-C200 VanDerWaalsContact O-N 3.07Å
198R56.5Low62.9Low148 Ų148123.1 Ų123.156%0.55858%0.579SS**Hα-helixtrans-65.2-28176.2-60.2-179.5-166.7173.73.5112.8E194E194-R198 IonicContact OE1-CZ 3.86Å; E194-R198 IonicContact OE1-NH2 3.74Å; E194-R198 PolarHBondContact OE1-NH2 2.84Å
199H55Low64.5Low124 Ų124123.5 Ų123.557%0.57457%0.572SS**Hα-helixtrans-81.8-16.1174.7-73.1-53.5000113.9H195 N196 E197 S205H195-H199 PolarHBondContact O-CD2 2.91Å; H195-H199 PolarHBondContact O-N 2.9Å; N196-H199 PolarHBondContact O-N 3.09Å; E197-H199 PolarHBondContact O-N 2.77Å; H199-S205 WeakPolarHBondContact O-CB 2.93Å; H199-S205 PolarHBondContact O-OG 2.94Å
200C55.7Low65.5Low75 Ų75121.6 Ų121.651%0.50756%0.555SS.*Hα-helixtrans-83.2-11.7175.3-70.80000113.5N196 E197 S205N196-C200 PolarHBondContact O-N 2.8Å; N196-C200 PolarHBondContact O-SG 3.45Å; E197-C200 PolarHBondContact O-N 3.45Å; E197-C200 VanDerWaalsContact O-N 3.07Å; C200-S205 VanDerWaalsContact C-OG 3.3Å; C200-S205 WeakPolarHBondContact CA-OG 3.33Å; C200-S205 PolarHBondContact O-OG 2.91Å
201L61.1Low66.4Low146 Ų146120.2 Ų120.276%0.76455%0.551SS**SBendtrans-95.6-1.9175.3-58.7176.8000113.5
202N74.8Confident67.2Low76 Ų76114.8 Ų114.841%0.40654%0.539SS..SBendtrans-69.7135.5176.1-174.8-46.9000110.4N204 S205 F206N202-N204 PolarHBondContact O-N 2.68Å; N202-N204 WeakPolarHBondContact OD1-CB 3.28Å; N202-N204 PolarHBondContact OD1-N 3.35Å; N202-S205 PolarHBondContact N-OG 3.33Å; N202-S205 PolarHBondContact O-N 3.22Å; N202-S205 PolarHBondContact O-OG 2.97Å; N202-F206 PolarHBondContact O-N 3.38Å; N202-F206 VanDerWaalsContact O-N 3.09Å
203R75.6Confident68Low181 Ų181115.5 Ų115.568%0.68353%0.532SS*.Hα-helixtrans-45.7-36.3175.1-168.7175.279.6170.80.9113R207R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.09Å
204N83.8Confident68.2Low89 Ų89111.3 Ų111.348%0.47652%0.517SS..Hα-helixtrans-76-32.3179.4-64.1-23.5000113.4N202 R208N202-N204 PolarHBondContact O-N 2.68Å; N202-N204 WeakPolarHBondContact OD1-CB 3.28Å; N202-N204 PolarHBondContact OD1-N 3.35Å; N204-R208 WeakPolarHBondContact O-CG 3.46Å; N204-R208 PolarHBondContact O-N 3.15Å; N204-R208 VanDerWaalsContact O-N 3.16Å; N204-R208 PolarHBondContact O-NE 3.26Å
205S81.7Confident68.4Low18 Ų18110.2 Ų110.213%0.12652%0.519CS..Hα-helixtrans-73-39173.554.90000111.5H199 C200 N202 R208 H209H199-S205 WeakPolarHBondContact O-CB 2.93Å; H199-S205 PolarHBondContact O-OG 2.94Å; C200-S205 VanDerWaalsContact C-OG 3.3Å; C200-S205 WeakPolarHBondContact CA-OG 3.33Å; C200-S205 PolarHBondContact O-OG 2.91Å; N202-S205 PolarHBondContact N-OG 3.33Å; N202-S205 PolarHBondContact O-N 3.22Å; N202-S205 PolarHBondContact O-OG 2.97Å; S205-R208 PolarHBondContact O-N 3.39Å; S205-H209 WeakPolarHBondContact O-CB 3.26Å; S205-H209 PolarHBondContact O-N 3.45Å
206F81.6Confident68.9Low124 Ų124111.6 Ų111.654%0.54453%0.525SS..Hα-helixtrans-62.6-43.5172.9-172.2-112.6000112.3N202 R208 H209 N210N202-F206 PolarHBondContact O-N 3.38Å; N202-F206 VanDerWaalsContact O-N 3.09Å; F206-R208 PolarHBondContact O-N 2.86Å; F206-H209 PolarHBondContact O-N 2.93Å; F206-N210 VanDerWaalsContact CD1-ND2 3.26Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.45Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.4Å; F206-N210 VanDerWaalsContact CZ-ND2 3.28Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.32Å; F206-N210 PolarHBondContact O-N 3.29Å; F206-N210 PolarHBondContact O-ND2 3.36Å
207R79.4Confident69.2Low151 Ų151110 Ų11057%0.5752%0.523SS*.Hα-helixtrans-56.9-47173.1-81.3179.7176.4-130.10.1112.3R203 H209 N210 L211R203-R207 WeakPolarHBondContact O-CB 3.47Å; R203-R207 WeakPolarHBondContact O-CG 3.43Å; R203-R207 PolarHBondContact O-N 3.09Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-H209 PolarHBondContact O-N 3.19Å; R207-N210 PolarHBondContact O-N 3.16Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 WeakPolarHBondContact O-CD1 3.16Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.35Å; R207-L211 PolarHBondContact O-N 2.84Å
208R82.8Confident69.3Low169 Ų169111.5 Ų111.564%0.63852%0.523SS*.Hα-helixtrans-62.4-38.6177-73-177.7-64.9-170.34112N204 S205 F206 T212N204-R208 WeakPolarHBondContact O-CG 3.46Å; N204-R208 PolarHBondContact O-N 3.15Å; N204-R208 VanDerWaalsContact O-N 3.16Å; N204-R208 PolarHBondContact O-NE 3.26Å; S205-R208 PolarHBondContact O-N 3.39Å; F206-R208 PolarHBondContact O-N 2.86Å; R208-T212 WeakPolarHBondContact O-CG2 3.47Å; R208-T212 PolarHBondContact O-N 2.95Å; R208-T212 VanDerWaalsContact O-N 3.15Å; R208-T212 PolarHBondContact O-OG1 3.15Å
209H80.8Confident69.3Low115 Ų115112.8 Ų112.853%0.53254%0.535SS..Hα-helixtrans-69.6-40.3177.3-169.873.1000113S205 F206 R207 T212 R213S205-H209 WeakPolarHBondContact O-CB 3.26Å; S205-H209 PolarHBondContact O-N 3.45Å; F206-H209 PolarHBondContact O-N 2.93Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-H209 PolarHBondContact O-N 3.19Å; H209-T212 PolarHBondContact O-N 3.09Å; H209-T212 PolarHBondContact O-OG1 3.05Å; H209-R213 WeakPolarHBondContact O-CB 3.31Å; H209-R213 PolarHBondContact O-N 3.47Å
210N77.1Confident69.4Low46 Ų46113.4 Ų113.425%0.24654%0.541CS..Hα-helixtrans-66.1-41.8175.8-73.1-24.3000111.9F206 R207 T212 R213 D214F206-N210 VanDerWaalsContact CD1-ND2 3.26Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.45Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.4Å; F206-N210 VanDerWaalsContact CZ-ND2 3.28Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.32Å; F206-N210 PolarHBondContact O-N 3.29Å; F206-N210 PolarHBondContact O-ND2 3.36Å; R207-N210 PolarHBondContact O-N 3.16Å; N210-T212 VanDerWaalsContact C-N 3.33Å; N210-T212 PolarHBondContact O-N 3.44Å; N210-R213 PolarHBondContact O-N 2.86Å; N210-D214 WeakPolarHBondContact O-CB 3.17Å; N210-D214 PolarHBondContact O-N 3.12Å
211L76.6Confident69.5Low108 Ų108118.7 Ų118.757%0.56556%0.556SS**Hα-helixtrans-57-46.7174.7-78161.4000111.3R207 C215R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 WeakPolarHBondContact O-CD1 3.16Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.35Å; R207-L211 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-N 3.05Å; L211-C215 PolarHBondContact O-SG 2.69Å
212T71.1Confident69.2Low75 Ų75119.4 Ų119.446%0.4656%0.555SS.*Hα-helixtrans-68.1-39.3178.155.30000111.8R208 H209 N210 D214 C215 H216R208-T212 WeakPolarHBondContact O-CG2 3.47Å; R208-T212 PolarHBondContact O-N 2.95Å; R208-T212 VanDerWaalsContact O-N 3.15Å; R208-T212 PolarHBondContact O-OG1 3.15Å; H209-T212 PolarHBondContact O-N 3.09Å; H209-T212 PolarHBondContact O-OG1 3.05Å; N210-T212 VanDerWaalsContact C-N 3.33Å; N210-T212 PolarHBondContact O-N 3.44Å; T212-D214 PolarHBondContact O-N 3.02Å; T212-C215 PolarHBondContact O-N 3.49Å; T212-H216 PolarHBondContact O-CE1 2.8Å; T212-H216 VanDerWaalsContact O-CE1 3.26Å; T212-H216 PolarHBondContact O-ND1 3.18Å
213R69.3Low68.3Low163 Ų163122.8 Ų122.862%0.61557%0.573SS**Hα-helixtrans-63.7-39.9178.6-151.8179.773.5106.15.9112.4H209 N210 C215 H216H209-R213 WeakPolarHBondContact O-CB 3.31Å; H209-R213 PolarHBondContact O-N 3.47Å; N210-R213 PolarHBondContact O-N 2.86Å; R213-C215 VanDerWaalsContact C-N 3.34Å; R213-C215 PolarHBondContact O-N 3.25Å; R213-H216 PolarHBondContact O-N 3.34Å
214D59.8Low67.4Low60 Ų60116.2 Ų116.232%0.32156%0.561SS.*Hα-helixtrans-75.8-21.8-179.5-64.8-20.4000113.3N210 T212 H216 S217 R218N210-D214 WeakPolarHBondContact O-CB 3.17Å; N210-D214 PolarHBondContact O-N 3.12Å; T212-D214 PolarHBondContact O-N 3.02Å; D214-H216 VanDerWaalsContact C-N 3.29Å; D214-H216 PolarHBondContact O-N 3.49Å; D214-S217 PolarHBondContact O-N 3.07Å; D214-R218 PolarHBondContact O-N 3.3Å
215C58.6Low66Low73 Ų73120.1 Ų120.149%0.49358%0.581SS.*Hα-helixtrans-65.6-31.1172-71.80000112.7L211 T212 R213L211-C215 PolarHBondContact O-N 3.05Å; L211-C215 PolarHBondContact O-SG 2.69Å; T212-C215 PolarHBondContact O-N 3.49Å; R213-C215 VanDerWaalsContact C-N 3.34Å; R213-C215 PolarHBondContact O-N 3.25Å
216H58.3Low65Low152 Ų152128.2 Ų128.270%0.70462%0.615SS**Hα-helixtrans-77.5-25.1179.7-61.788.4000112.5T212 R213 D214T212-H216 PolarHBondContact O-CE1 2.8Å; T212-H216 VanDerWaalsContact O-CE1 3.26Å; T212-H216 PolarHBondContact O-ND1 3.18Å; R213-H216 PolarHBondContact O-N 3.34Å; D214-H216 VanDerWaalsContact C-N 3.29Å; D214-H216 PolarHBondContact O-N 3.49Å
217S58.3Low64Low80 Ų80128 Ų12856%0.55962%0.623SS**Hα-helixtrans-79.7-36.7175.7177.90000112.1D214 Q219D214-S217 PolarHBondContact O-N 3.07Å; S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 3.3Å
218R57.6Low63.3Low169 Ų169129 Ų12964%0.63863%0.634SS**THydrogen-bonded Turntrans-78.73.4-178.6-72.9-170.9-78.6-95.82.2115.4D214 I220D214-R218 PolarHBondContact O-N 3.3Å; R218-I220 VanDerWaalsContact C-N 3.33Å
219Q55.5Low62.7Low174 Ų174128.7 Ų128.781%0.81364%0.64SS**THydrogen-bonded Turntrans-91.911.9171.8-74.4-129.2-31.500113.7S217 K221S217-Q219 VanDerWaalsContact C-N 3.25Å; S217-Q219 PolarHBondContact O-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.29Å
220I57.3Low61.9Low138 Ų138128.2 Ų128.271%0.70865%0.647SS**SBendtrans-84.196.3168.6-71.5153.5000108.5R218 H222R218-I220 VanDerWaalsContact C-N 3.33Å; I220-H222 PolarHBondContact O-N 3.16Å
221K59Low61.2Low185 Ų185131.8 Ų131.880%0.80467%0.674SS**  trans18.1102156.3-72.6176.2172.4178.10115.7Q219Q219-K221 PolarHBondContact O-N 3.29Å
222H53.6Low60.5Low161 Ų161135.8 Ų135.875%0.74569%0.69SS**  trans-124.199.7142.8-154.6-88.1000109.1I220 G224I220-H222 PolarHBondContact O-N 3.16Å; H222-G224 PolarHBondContact CE1-O 2.92Å; H222-G224 PolarHBondContact ND1-O 3.36Å
223N57.6Low60.2Low147 Ų147142.7 Ų142.779%0.78671%0.708SS**  trans-62.6131.4159.7-69.3-43.4000108
224G55Low59.9Low43 Ų43143 Ų14344%0.44372%0.716SS.*SBendtrans77.7115.6163.500000114.9H222 F226H222-G224 PolarHBondContact CE1-O 2.92Å; H222-G224 PolarHBondContact ND1-O 3.36Å; G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 PolarHBondContact O-N 2.68Å
225L56.1Low59.8Low171 Ų171148.4 Ų148.490%0.89574%0.737SS**  trans-64.888.1160.3-72.8153.6000108.5V227L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 3.49Å
226F59.3Low59.6Low189 Ų189152.1 Ų152.183%0.82975%0.752SS**  trans-86.385.2160.7-80.7-79.6000107.8G224 H228G224-F226 VanDerWaalsContact C-N 3.28Å; G224-F226 PolarHBondContact O-N 2.68Å; F226-H228 PolarHBondContact O-N 3.45Å
227V60.9Low59.3Low119 Ų119159.3 Ų159.372%0.72178%0.775SS**  trans-67.7111.6164.5-177.30000106.2L225 Q229L225-V227 VanDerWaalsContact C-N 3.32Å; L225-V227 PolarHBondContact O-N 3.49Å; V227-Q229 PolarHBondContact O-N 3.39Å
228H63.9Low59.3Low171 Ų171163.3 Ų163.379%0.79279%0.786SS**  trans-66.996.9172.7178.5-86.8000108.5F226 P230F226-H228 PolarHBondContact O-N 3.45Å; H228-P230 WeakPolarHBondContact O-CD 3.35Å
229Q71.3Confident59.4Low163 Ų163163 Ų16376%0.76279%0.794SS**PPolyproline II helixtrans-78.2120.8177.8-167.2177.5-18.700109.2V227 C231V227-Q229 PolarHBondContact O-N 3.39Å; Q229-C231 PolarHBondContact O-N 3.14Å
230P62.9Low59.6Low106 Ų106162.4 Ų162.469%0.68879%0.793SS**PPolyproline II helixtrans-66.4128.8176.5-15.929.4000110.5H228H228-P230 WeakPolarHBondContact O-CD 3.35Å
231C63.8Low59.7Low121 Ų121163.8 Ų163.882%0.81880%0.798SS**PPolyproline II helixtrans-67.4134175.9-570000110.8Q229 R233Q229-C231 PolarHBondContact O-N 3.14Å; C231-R233 PolarHBondContact O-N 3.17Å
232Q61.8Low59.8Low191 Ų191162.5 Ų162.589%0.89380%0.797SS**PPolyproline II helixtrans-57118.5174.1-104.8176.8-19.700110.6Q234Q232-Q234 PolarHBondContact O-N 3.49Å
233R63.7Low60.2Low221 Ų221162.6 Ų162.683%0.83480%0.801SS**  trans-72.9114.1167.6-76.4-174.1175.5-157-0.1108.7C231 F235C231-R233 PolarHBondContact O-N 3.17Å; R233-F235 PolarHBondContact O-N 3.31Å
234Q64.1Low60.4Low170 Ų170163.7 Ų163.779%0.79480%0.802SS**  trans-78.2112.8167.7-66.1-174-42.800108.3Q232Q232-Q234 PolarHBondContact O-N 3.49Å
235F57.2Low60.8Low173 Ų173173 Ų17376%0.75983%0.829SS**  trans-79.8115.8166.5-68.9-84.5000107.9R233R233-F235 PolarHBondContact O-N 3.31Å
236N53.6Low61.2Low151 Ų151173.2 Ų173.281%0.80782%0.824SS**  trans-94.5125.3164.4-70.8-52.3000107.6
237Y52.1Low61.4Low303 Ų303171.7 Ų171.7100%1.18882%0.823SS**  trans-75.50168.4-77.8-90.3000110.8

Retrieved 237 of 237 residues in 34.2 ms (Link to these results)