A0A077ZN82_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 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
1M37.9Very low35.3Very low221 Ų221170 Ų170100%1.08981%0.808SS**  0101.30-81.5173171.200108.2
2V33.1Very low35.4Very low145 Ų145169.3 Ų169.388%0.87980%0.803SS**  trans-126.9108.5170.9179.90000105.5K4V2-K4 PolarHBondContact O-N 3.17Å; V2-K4 VanDerWaalsContact O-N 3.08Å
3Y34.2Very low35.8Very low195 Ų195170.5 Ų170.577%0.76580%0.804SS**  trans-66.3107179.7-74.5-90.9000108.4W5Y3-W5 VanDerWaalsContact C-N 3.34Å; Y3-W5 PolarHBondContact O-N 2.96Å
4K29.3Very low36Very low179 Ų179168.3 Ų168.378%0.77879%0.793SS**  trans-71.495.2169.9-149.1176.4-172.1179.50106.7V2 H6V2-K4 PolarHBondContact O-N 3.17Å; V2-K4 VanDerWaalsContact O-N 3.08Å; K4-H6 VanDerWaalsContact C-N 3.32Å; K4-H6 PolarHBondContact O-N 2.97Å
5W31Very low36.5Very low227 Ų227165.9 Ų165.986%0.8679%0.793SS**  trans-64.394.5171.7-102.857.3000108.2Y3 H7Y3-W5 VanDerWaalsContact C-N 3.34Å; Y3-W5 PolarHBondContact O-N 2.96Å; W5-H7 PolarHBondContact O-N 3.16Å; W5-H7 VanDerWaalsContact O-N 3.1Å
6H34.6Very low37Very low143 Ų143162.5 Ų162.566%0.66278%0.78SS**  trans-68.4106.5164.7-84.1-90.9000107.2K4 L8K4-H6 VanDerWaalsContact C-N 3.32Å; K4-H6 PolarHBondContact O-N 2.97Å; H6-L8 PolarHBondContact O-N 2.95Å
7H34.6Very low38.1Very low177 Ų177158.5 Ų158.582%0.81976%0.764SS**  trans-59.382162.3-124.2-85.1000107.5W5 S9W5-H7 PolarHBondContact O-N 3.16Å; W5-H7 VanDerWaalsContact O-N 3.1Å; H7-S9 VanDerWaalsContact C-N 3.28Å; H7-S9 PolarHBondContact O-N 3.28Å
8L36.3Very low39.3Very low153 Ų153161.9 Ų161.980%0.80177%0.768SS**  trans-65.198165-96.1127.2000106H6 K10H6-L8 PolarHBondContact O-N 2.95Å; L8-K10 PolarHBondContact O-N 3.45Å; L8-K10 VanDerWaalsContact O-N 3.09Å
9S37.1Very low41Very low82 Ų82156.7 Ų156.757%0.57375%0.751SS**  trans-48.4116.9169.654.30000108.6H7 N11H7-S9 VanDerWaalsContact C-N 3.28Å; H7-S9 PolarHBondContact O-N 3.28Å; S9-N11 PolarHBondContact O-N 3.25Å
10K41.7Very low42.5Very low201 Ų201155.2 Ų155.287%0.87474%0.74SS**THydrogen-bonded Turntrans-6523.7178.3-71.6179.4173.6179.10114.3L8L8-K10 PolarHBondContact O-N 3.45Å; L8-K10 VanDerWaalsContact O-N 3.09Å
11N38.4Very low44Very low147 Ų147150 Ų15079%0.78672%0.724SS**THydrogen-bonded Turntrans-104.212.5-177-66.9-10.8000113.5S9 F13S9-N11 PolarHBondContact O-N 3.25Å; N11-F13 PolarHBondContact O-N 3.11Å
12H36.5Very low45.7Very low162 Ų162145.9 Ų145.975%0.7570%0.703SS**  trans-86.147.8160.5-100.4-80.8000110.7E14H12-E14 PolarHBondContact O-N 2.95Å
13F40.8Very low47.9Very low185 Ų185146.2 Ų146.281%0.81169%0.693SS**  trans-83.982154.4-140.2-92.4000104.9N11 V15N11-F13 PolarHBondContact O-N 3.11Å; F13-V15 PolarHBondContact O-N 3.16Å
14E38.3Very low50.1Low139 Ų139142.6 Ų142.665%0.6569%0.686SS**  trans-49.8113.8168.2-75.6-173.6163.400106.7H12 L16H12-E14 PolarHBondContact O-N 2.95Å; E14-L16 PolarHBondContact O-N 3.42Å
15V43.3Very low52.5Low132 Ų132141.7 Ų141.780%0.868%0.679SS**  trans-62.286.2167.2178.70000104.8F13 D17F13-V15 PolarHBondContact O-N 3.16Å; V15-D17 VanDerWaalsContact C-N 3.26Å; V15-D17 PolarHBondContact O-N 3.2Å
16L45.1Very low54.9Low112 Ų112136.1 Ų136.159%0.58667%0.665SS**  trans-59.9101.1167-83.9165.1000104.9E14 R18E14-L16 PolarHBondContact O-N 3.42Å; L16-R18 PolarHBondContact O-N 3.02Å
17D55.6Low57Low94 Ų94131.4 Ų131.450%0.50365%0.651SS.*  trans-37119.5170.4-105.7-33.2000108.1V15 S19 K20 A21V15-D17 VanDerWaalsContact C-N 3.26Å; V15-D17 PolarHBondContact O-N 3.2Å; D17-S19 PolarHBondContact O-N 3.49Å; D17-K20 HydrophobicContact CB-CB 4.47Å; D17-K20 HydrophobicContact CB-CD 4.44Å; D17-K20 HydrophobicContact CB-CG 4.24Å; D17-K20 WeakPolarHBondContact O-CA 3.38Å; D17-K20 PolarHBondContact O-N 3.34Å; D17-A21 PolarHBondContact O-N 2.95Å
18R59.6Low59.2Low221 Ų221126 Ų12683%0.83464%0.637SS**Hα-helixtrans-51-27.2-179.8-77.8-178175.4176.7-1111.5L16 M22L16-R18 PolarHBondContact O-N 3.02Å; R18-M22 WeakPolarHBondContact O-CB 3.41Å; R18-M22 WeakPolarHBondContact O-CG 3.2Å; R18-M22 PolarHBondContact O-N 3.1Å
19S71.5Confident61.3Low63 Ų63122.8 Ų122.844%0.44162%0.621SS.*Hα-helixtrans-64.8-40.1174.174.70000113.5D17 K23D17-S19 PolarHBondContact O-N 3.49Å; S19-K23 WeakPolarHBondContact O-CB 3.38Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.18Å
20K72Confident63.2Low125 Ų125124 Ų12454%0.54362%0.62SS.*Hα-helixtrans-71.8-40.8176.2-70.2-178.1-176.5171.60111.3D17 K23 L24D17-K20 HydrophobicContact CB-CB 4.47Å; D17-K20 HydrophobicContact CB-CD 4.44Å; D17-K20 HydrophobicContact CB-CG 4.24Å; D17-K20 WeakPolarHBondContact O-CA 3.38Å; D17-K20 PolarHBondContact O-N 3.34Å; K20-K23 PolarHBondContact O-N 3.18Å; K20-L24 WeakPolarHBondContact O-CB 3.5Å; K20-L24 WeakPolarHBondContact O-CG 3.43Å; K20-L24 PolarHBondContact O-N 2.9Å
21A73.9Confident64.6Low48 Ų48121.2 Ų121.240%0.39761%0.608SS.*Hα-helixtrans-62.5-43.7176.100000112D17 L24 Y25D17-A21 PolarHBondContact O-N 2.95Å; A21-L24 PolarHBondContact O-N 3.05Å; A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.01Å
22M73.6Confident66Low133 Ų133116.5 Ų116.566%0.65559%0.594SS**Hα-helixtrans-65.5-39.1175.4-72.3-72.2-78.700112.2R18 Y25 L26R18-M22 WeakPolarHBondContact O-CB 3.41Å; R18-M22 WeakPolarHBondContact O-CG 3.2Å; R18-M22 PolarHBondContact O-N 3.1Å; M22-Y25 PolarHBondContact O-N 3.1Å; M22-L26 WeakPolarHBondContact O-CB 3.22Å; M22-L26 PolarHBondContact O-N 2.93Å
23K78.2Confident67.5Low153 Ų153113.9 Ų113.967%0.66559%0.585SS**Hα-helixtrans-63.8-42.4174.4-76.6174.1-177.2-177.30112S19 K20 L26 A27S19-K23 WeakPolarHBondContact O-CB 3.38Å; S19-K23 VanDerWaalsContact O-CG 3.22Å; S19-K23 WeakPolarHBondContact O-CG 3.5Å; S19-K23 PolarHBondContact O-N 3.18Å; K20-K23 PolarHBondContact O-N 3.18Å; K23-L26 PolarHBondContact O-N 2.8Å; K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 3.24Å
24L81.3Confident68.4Low118 Ų118108.5 Ų108.562%0.61858%0.575SS**Hα-helixtrans-64.2-42.3175.7-77.6166.9000111.8K20 A21 A27 A28K20-L24 WeakPolarHBondContact O-CB 3.5Å; K20-L24 WeakPolarHBondContact O-CG 3.43Å; K20-L24 PolarHBondContact O-N 2.9Å; A21-L24 PolarHBondContact O-N 3.05Å; L24-A27 PolarHBondContact O-N 3.17Å; L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.01Å
25Y79.4Confident69.2Low160 Ų160110.6 Ų110.663%0.62758%0.582SS**Hα-helixtrans-63.9-43.5176-172.7-96.8000111.9A21 M22 A28 L29A21-Y25 WeakPolarHBondContact O-CB 3.43Å; A21-Y25 PolarHBondContact O-N 3.01Å; M22-Y25 PolarHBondContact O-N 3.1Å; Y25-A28 PolarHBondContact O-N 3.12Å; Y25-L29 HydrophobicContact CE1-CD1 3.9Å; Y25-L29 WeakPolarHBondContact O-CB 3.49Å; Y25-L29 PolarHBondContact O-N 2.96Å
26L80.4Confident69.7Low110 Ų110108.4 Ų108.458%0.57658%0.577SS**Hα-helixtrans-66.7-39.5178.2-151.2111.3000111.5M22 K23 L29 L30M22-L26 WeakPolarHBondContact O-CB 3.22Å; M22-L26 PolarHBondContact O-N 2.93Å; K23-L26 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.95Å
27A79.5Confident69.3Low44 Ų44105 Ų10536%0.36457%0.57SS.*Hα-helixtrans-64-42.3174.200000112K23 L24 L29 L30 F31K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 3.24Å; L24-A27 PolarHBondContact O-N 3.17Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 2.97Å; A27-L30 PolarHBondContact O-N 3.09Å; A27-F31 WeakPolarHBondContact O-CB 3.3Å; A27-F31 PolarHBondContact O-N 2.96Å
28A81.1Confident68.6Low64 Ų64108 Ų10853%0.52959%0.586SS.*Hα-helixtrans-64.3-38.1175.500000112.2L24 Y25 F31 G32L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.01Å; Y25-A28 PolarHBondContact O-N 3.12Å; A28-F31 PolarHBondContact O-N 3.08Å; A28-G32 PolarHBondContact O-N 2.72Å
29L80.9Confident67.5Low86 Ų86105.5 Ų105.545%0.4559%0.589SS.*Hα-helixtrans-68.3-41177-158154.3000111.1Y25 L26 A27 G32 I33Y25-L29 HydrophobicContact CE1-CD1 3.9Å; Y25-L29 WeakPolarHBondContact O-CB 3.49Å; Y25-L29 PolarHBondContact O-N 2.96Å; L26-L29 PolarHBondContact O-N 3.1Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 2.97Å; L29-G32 PolarHBondContact O-N 2.77Å; L29-I33 HydrophobicContact CD2-CD1 3.51Å; L29-I33 HydrophobicContact CD2-CG1 4.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.91Å
30L75.4Confident65.9Low107 Ų107109.8 Ų109.856%0.5661%0.607SS**Hα-helixtrans-67.1-40.5174.3-70.6173000112.3L26 A27 I33 A34L26-L30 HydrophobicContact CD2-CD1 4.12Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.07Å; L30-A34 WeakPolarHBondContact O-CB 3.39Å; L30-A34 PolarHBondContact O-N 3.09Å
31F71.4Confident64.2Low143 Ų143112.7 Ų112.763%0.62762%0.619SS**Hα-helixtrans-64-39.2173.1-101.4-84.7000112.2A27 A28 I33 A34 F35A27-F31 WeakPolarHBondContact O-CB 3.3Å; A27-F31 PolarHBondContact O-N 2.96Å; A28-F31 PolarHBondContact O-N 3.08Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.09Å; F31-A34 PolarHBondContact O-N 3.2Å; F31-F35 HydrophobicContact CD1-CE2 4.46Å; F31-F35 PolarHBondContact O-N 2.93Å
32G68.1Low62.4Low48 Ų48122.3 Ų122.350%0.49565%0.646SS.*Hα-helixtrans-65.5-33.7175.900000113.3A28 L29A28-G32 PolarHBondContact O-N 2.72Å; L29-G32 PolarHBondContact O-N 2.77Å
33I68Low60.6Low106 Ų106124.2 Ų124.254%0.54466%0.657SS.*Hα-helixtrans-77.3-38.2174.2-66.4172.5000111.1L29 L30 F31 F35 A36 G37L29-I33 HydrophobicContact CD2-CD1 3.51Å; L29-I33 HydrophobicContact CD2-CG1 4.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.91Å; L30-I33 PolarHBondContact O-N 3.07Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.09Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 2.84Å; I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.31Å; I33-A36 PolarHBondContact O-N 3.05Å; I33-G37 PolarHBondContact O-N 3.08Å
34A59.4Low58.6Low73 Ų73125.9 Ų125.960%0.60367%0.665SS**Hα-helixtrans-64.5-34.2178.600000112.5L30 F31 A36L30-A34 WeakPolarHBondContact O-CB 3.39Å; L30-A34 PolarHBondContact O-N 3.09Å; F31-A34 PolarHBondContact O-N 3.2Å; A34-A36 PolarHBondContact O-N 3.03Å
35F55.2Low56.3Low183 Ų183124 Ų12480%0.80368%0.675SS**THydrogen-bonded Turntrans-76.9-5170.9-95.6-82.5000114.4F31 I33F31-F35 HydrophobicContact CD1-CE2 4.46Å; F31-F35 PolarHBondContact O-N 2.93Å; I33-F35 VanDerWaalsContact C-N 3.31Å; I33-F35 PolarHBondContact O-N 2.84Å
36A54Low54.2Low85 Ų85121.2 Ų121.270%0.70267%0.674SS**THydrogen-bonded Turntrans-101.73.3175.300000113I33 A34I33-A36 WeakPolarHBondContact O-CA 3.46Å; I33-A36 WeakPolarHBondContact O-CB 3.31Å; I33-A36 PolarHBondContact O-N 3.05Å; A34-A36 PolarHBondContact O-N 3.03Å
37G37.4Very low51.9Low42 Ų42118.3 Ų118.343%0.43367%0.67SS.*SBendtrans-97.2133.8167.300000109.8I33I33-G37 PolarHBondContact O-N 3.08Å
38D40.3Very low49.7Very low157 Ų157123.2 Ų123.284%0.8470%0.698SS**SBendtrans7873.1177.9-52.1-24000115.2
39D36.9Very low47.4Very low167 Ų167123.1 Ų123.189%0.89370%0.704SS**  trans-162.2107.3131.5-92.8-33.8000110.8
40D37Very low45.2Very low154 Ų154127.7 Ų127.782%0.82472%0.716SS**  trans-52.3140.7159.8-80.8-46.6000110.8
41K36.3Very low43.3Very low185 Ų185131.6 Ų131.680%0.80473%0.732SS**SBendtrans99.396.4171.1-55.9165-176.3170.40115.6L43K41-L43 PolarHBondContact O-N 3.09Å; K41-L43 VanDerWaalsContact O-N 3.16Å
42R37Very low41.7Very low250 Ų250133.1 Ų133.194%0.94374%0.738SS**  trans4953.9135.7-63.2-175.4173.8-172.6-0.2116.1
43L35.9Very low40.1Very low173 Ų173136.1 Ų136.191%0.90675%0.751SS**  trans-101.295.1158.7-94.7145.9000110.3K41 G45K41-L43 PolarHBondContact O-N 3.09Å; K41-L43 VanDerWaalsContact O-N 3.16Å; L43-G45 VanDerWaalsContact C-N 3.31Å; L43-G45 PolarHBondContact O-N 2.92Å
44K35.8Very low38.6Very low188 Ų188140.2 Ų140.282%0.81776%0.761SS**  trans-54.791.3160.3-76169.2170.8171.40109.1V46K44-V46 PolarHBondContact O-N 3.13Å
45G32.6Very low37.2Very low80 Ų80144.8 Ų144.883%0.82577%0.774SS**  trans-92.871164.900000110.3L43 G47L43-G45 VanDerWaalsContact C-N 3.31Å; L43-G45 PolarHBondContact O-N 2.92Å; G45-G47 PolarHBondContact O-N 3.37Å
46V36.7Very low36.5Very low101 Ų101142.2 Ų142.261%0.61277%0.769SS**  trans-86.1107.4170.1179.50000107.2K44 Y50K44-V46 PolarHBondContact O-N 3.13Å; V46-Y50 WeakPolarHBondContact CG1-O 3.49Å
47G31.9Very low36.1Very low49 Ų49150.1 Ų150.151%0.50578%0.782SS.*  trans-56.4154.4168.400000111.3G45 G49G45-G47 PolarHBondContact O-N 3.37Å; G47-G49 PolarHBondContact O-N 3.21Å
48P31.8Very low36.6Very low146 Ų146151.9 Ų151.995%0.94879%0.793SS**THydrogen-bonded Turntrans-59.8111.2-172.125.3-32.8000109.5
49G34.1Very low36.5Very low62 Ų62147.7 Ų147.764%0.63979%0.787SS**THydrogen-bonded Turntrans152.5-6.6171.900000118.4G47G47-G49 PolarHBondContact O-N 3.21Å
50Y33.7Very low36.5Very low183 Ų183148 Ų14872%0.71878%0.781SS**  trans-134.8103.7179.4-69.6-82.9000113.3V46 K52V46-Y50 WeakPolarHBondContact CG1-O 3.49Å; Y50-K52 PolarHBondContact O-N 3.13Å
51E36.6Very low36.4Very low189 Ų189149.5 Ų149.588%0.88378%0.78SS**  trans-66.1118.6159.8-86.1-176.5133.300109.8
52K37.3Very low36.6Very low175 Ų175150.7 Ų150.776%0.76179%0.785SS**  trans3493.2150.2-63.1174.9-177.1171.10116.1Y50 Y54Y50-K52 PolarHBondContact O-N 3.13Å; K52-Y54 HydrophobicContact CB-CE2 4.44Å
53S34.7Very low36.7Very low110 Ų110140.6 Ų140.677%0.76976%0.759SS**  trans-112.5115.7158.360.30000110
54Y36.4Very low36.8Very low192 Ų192135.9 Ų135.975%0.75375%0.752SS**  trans-88.8144.3168.2-68.5-90.8000109.6K52K52-Y54 HydrophobicContact CB-CE2 4.44Å
55L29Very low36.9Very low169 Ų169131.6 Ų131.689%0.88575%0.752SS**  trans-88.3111.7177.8-106.6150.7000109
56D41.7Very low37.1Very low129 Ų129137 Ų13769%0.6975%0.747SS**  trans-81.1139.6171.2-78.8-17.9000111.2A58 G59D56-A58 PolarHBondContact O-N 3.41Å; D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 VanDerWaalsContact O-N 3.15Å
57Y45.3Very low37.2Very low251 Ų251141.7 Ų141.798%0.98476%0.759SS**THydrogen-bonded Turntrans-55-9.6-174.8-101.8-92.3000116.1
58A47.2Very low37.5Very low79 Ų79147.2 Ų147.265%0.65377%0.77SS**THydrogen-bonded Turntrans-99.78.4-179.200000114.3D56 K60D56-A58 PolarHBondContact O-N 3.41Å; A58-K60 PolarHBondContact O-N 3.03Å; A58-K60 VanDerWaalsContact O-N 3.11Å
59G38.8Very low37.4Very low69 Ų69147.5 Ų147.571%0.71176%0.762SS**  trans6518.3170.600000115.6D56D56-G59 PolarHBondContact O-N 3.05Å; D56-G59 VanDerWaalsContact O-N 3.15Å
60K37.7Very low37.5Very low175 Ų175148.4 Ų148.476%0.76176%0.757SS**  trans-99.2104.2178.9-71.1-177.1-178176.90110.6A58 K62A58-K60 PolarHBondContact O-N 3.03Å; A58-K60 VanDerWaalsContact O-N 3.11Å; K60-K62 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact O-N 3.08Å
61F33Very low37.7Very low184 Ų184147.5 Ų147.581%0.80776%0.763SS**  trans-63.2103.7176.7-165-94.1000110.9
62K41.4Very low37.4Very low210 Ų210147.5 Ų147.591%0.91376%0.756SS**  trans-107.259.4167.4-75.7-174.7175.9179.10109.8K60K60-K62 PolarHBondContact O-N 3.13Å; K60-K62 VanDerWaalsContact O-N 3.08Å
63G39.4Very low36.9Very low38 Ų38147.9 Ų147.939%0.39276%0.761SS.*  trans-104.5125.6174.300000110.6
64G38.5Very low36.8Very low74 Ų74151 Ų15176%0.76376%0.761SS**  trans-52.7154-17400000115.2R66G64-R66 PolarHBondContact O-N 2.99Å
65A37.6Very low36.5Very low98 Ų98150.5 Ų150.581%0.8177%0.765SS**  trans-44.1116.8-174.800000113.4K67A65-K67 PolarHBondContact O-N 2.9Å
66R36Very low36.5Very low195 Ų195147.8 Ų147.874%0.73676%0.755SS**  trans-55.6107.6167.2-79.6179.4169.3-177.2-4.3109.4G64 F68G64-R66 PolarHBondContact O-N 2.99Å; R66-F68 HydrophobicContact CB-CD2 4.23Å; R66-F68 HydrophobicContact CB-CE2 4.12Å; R66-F68 PolarHBondContact O-N 2.77Å
67K39.7Very low35.9Very low198 Ų198146.5 Ų146.586%0.86176%0.756SS**  trans-76.498.5157.8-67.8-177.9-178.1178.50106.4A65 L69A65-K67 PolarHBondContact O-N 2.9Å; K67-L69 PolarHBondContact O-N 3.22Å; K67-L69 VanDerWaalsContact O-N 3.1Å
68F37.1Very low35.3Very low166 Ų166143 Ų14373%0.72875%0.749SS**  trans-67.3105.7162.8-79.6-88.7000106.6R66R66-F68 HydrophobicContact CB-CD2 4.23Å; R66-F68 HydrophobicContact CB-CE2 4.12Å; R66-F68 PolarHBondContact O-N 2.77Å
69L31.4Very low34.3Very low151 Ų151148.7 Ų148.779%0.79176%0.762SS**  trans-65.9125.7159.4-75.4167.3000106.5K67 I71K67-L69 PolarHBondContact O-N 3.22Å; K67-L69 VanDerWaalsContact O-N 3.1Å; L69-I71 PolarHBondContact O-N 3.14Å; L69-I71 VanDerWaalsContact O-N 3.13Å
70P35.8Very low34Very low82 Ų82154.6 Ų154.653%0.53277%0.768SS.*  trans-59.5117.8176.523.3-32.2000109.3Y72P70-Y72 VanDerWaalsContact C-N 3.29Å; P70-Y72 HydrophobicContact CB-CD2 4.01Å; P70-Y72 HydrophobicContact CB-CE2 3.58Å; P70-Y72 HydrophobicContact CG-CD2 4.06Å; P70-Y72 HydrophobicContact CG-CE2 3.39Å; P70-Y72 PolarHBondContact O-N 3.07Å
71I36.4Very low33.5Very low163 Ų163155.1 Ų155.184%0.83677%0.773SS**  trans-75.291.5167.8-57.1173.1000105.7L69 Q73L69-I71 PolarHBondContact O-N 3.14Å; L69-I71 VanDerWaalsContact O-N 3.13Å; I71-Q73 PolarHBondContact O-N 3.07Å
72Y30.6Very low33.6Very low190 Ų190152.2 Ų152.275%0.74577%0.77SS**  trans-75108.5163.7-65.3-78.4000107.1P70 K74P70-Y72 VanDerWaalsContact C-N 3.29Å; P70-Y72 HydrophobicContact CB-CD2 4.01Å; P70-Y72 HydrophobicContact CB-CE2 3.58Å; P70-Y72 HydrophobicContact CG-CD2 4.06Å; P70-Y72 HydrophobicContact CG-CE2 3.39Å; P70-Y72 PolarHBondContact O-N 3.07Å; Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.05Å
73Q28Very low33Very low183 Ų183147 Ų14786%0.85576%0.755SS**  trans-68.297.7158.9-85.9-178.6-29.700106.7I71I71-Q73 PolarHBondContact O-N 3.07Å
74K31.1Very low32.9Very low176 Ų176151.3 Ų151.377%0.76577%0.774SS**  trans-95.391.4172.9-159.8-174.1-176.6-176.10106.6Y72 V76Y72-K74 VanDerWaalsContact C-N 3.29Å; Y72-K74 PolarHBondContact O-N 3.05Å; K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 HydrophobicContact CB-CG2 4.38Å; K74-V76 HydrophobicContact CD-CG2 3.69Å; K74-V76 HydrophobicContact CG-CG2 3.66Å; K74-V76 PolarHBondContact O-N 2.9Å; K74-V76 VanDerWaalsContact O-N 3.11Å
75E31.1Very low32.4Very low181 Ų181156.7 Ų156.785%0.84678%0.776SS**  trans-73.495.6161.1-72.1-173.8170.200106.7S77E75-S77 PolarHBondContact O-N 3.3Å
76V28.2Very low31.7Very low112 Ų112156 Ų15668%0.67978%0.778SS**  trans-80.294.9172.1-177.50000106.5K74K74-V76 VanDerWaalsContact C-N 3.32Å; K74-V76 HydrophobicContact CB-CG2 4.38Å; K74-V76 HydrophobicContact CD-CG2 3.69Å; K74-V76 HydrophobicContact CG-CG2 3.66Å; K74-V76 PolarHBondContact O-N 2.9Å; K74-V76 VanDerWaalsContact O-N 3.11Å
77S30.7Very low31.1Very low101 Ų101150.3 Ų150.371%0.70678%0.781SS**  trans-97.5117.7160.441.30000108.6E75E75-S77 PolarHBondContact O-N 3.3Å
78E31.2Very low30.2Very low178 Ų178147.9 Ų147.983%0.83279%0.787SS**  trans67.294.4150.3-57.2-176.6177.700118.3K80E78-K80 PolarHBondContact O-N 3.32Å
79E27.4Very low29.8Very low199 Ų199143.7 Ų143.793%0.9379%0.791SS**  trans-7.5103.2146-59.8174.3175.600115.3
80K32.5Very low29.5Very low192 Ų192141 Ų14184%0.83579%0.79SS**  trans-115.5110.6154.3-75.7-177.6179.5176.20108E78 V82E78-K80 PolarHBondContact O-N 3.32Å; K80-V82 PolarHBondContact O-N 3.24Å
81E26.1Very low29.2Very low187 Ų187146.7 Ų146.787%0.87481%0.807SS**  trans-55.7105166.2-81.5-174.7135.400109.2V83E81-V83 PolarHBondContact O-N 3.17Å
82V35.7Very low28.6Very low122 Ų122147.5 Ų147.574%0.73981%0.807SS**  trans-85.992.6164.8-175.40000107.1K80 V84K80-V82 PolarHBondContact O-N 3.24Å; V82-V84 HydrophobicContact CG1-CG2 3.78Å; V82-V84 PolarHBondContact O-N 3.04Å
83V28.2Very low28.4Very low100 Ų100147 Ų14761%0.60681%0.812SS**  trans-70.691.5168177.10000108.1E81 K85E81-V83 PolarHBondContact O-N 3.17Å; V83-K85 HydrophobicContact CG1-CD 4.32Å; V83-K85 HydrophobicContact CG1-CG 3.9Å; V83-K85 PolarHBondContact O-N 3.27Å
84V38.9Very low28.3Very low129 Ų129146.4 Ų146.478%0.78281%0.809SS**  trans-8092.8167.5-175.60000108.1V82V82-V84 HydrophobicContact CG1-CG2 3.78Å; V82-V84 PolarHBondContact O-N 3.04Å
85K27.1Very low28Very low187 Ų187147.4 Ų147.481%0.81381%0.813SS**  trans-83.3117.7166.5-86.7176.6-179.7179.70109.9V83V83-K85 HydrophobicContact CG1-CD 4.32Å; V83-K85 HydrophobicContact CG1-CG 3.9Å; V83-K85 PolarHBondContact O-N 3.27Å
86G22.3Very low27.9Very low83 Ų83148.9 Ų148.986%0.85682%0.817SS**  trans95127.2137.700000118.7
87G23.8Very low27.9Very low76 Ų76151.9 Ų151.978%0.78482%0.823SS**  trans125.463.5159.300000113.5
88C20.5Very low27.8Very low147 Ų147152.7 Ų152.799%0.99383%0.826SS**  23104.692.7-114.70000116.1
89G28.4Very low27.7Very low79 Ų79156.4 Ų156.481%0.81483%0.833SS**  trans-175.277174.300000110.6
90A25.9Very low27.8Very low94 Ų94153.9 Ų153.978%0.77782%0.821SS**  trans-71.4150.2173.600000112.3
91K29.6Very low27.6Very low202 Ų202152.6 Ų152.688%0.87882%0.815SS**  trans167.595.6152.8-94.8179.2-173.2-165.10104.1
92E24.1Very low27.7Very low180 Ų180155.7 Ų155.784%0.84182%0.819SS**  3993.860.2-151.5177-156.900112
93E25.3Very low27.3Very low180 Ų180155.4 Ų155.484%0.84182%0.822SS**  -176.9147.5124.3-107.2-179.6162.800114.3
94E27Very low27.4Very low170 Ų170157 Ų15779%0.79484%0.836SS**  trans7685.7155.9-68.7-166.3140.300121.9K96E94-K96 PolarHBondContact O-N 3.01Å
95K24.2Very low26.8Very low196 Ų196154.1 Ų154.185%0.85283%0.833SS**  -16.6118.4129.1-69.8174.8175.81750114.1
96K28.9Very low26.9Very low212 Ų212153.8 Ų153.892%0.92283%0.834SS**  trans-101115.4147.6-82-176.1176175.60109.1E94E94-K96 PolarHBondContact O-N 3.01Å
97E28.1Very low27.3Very low176 Ų176158.2 Ų158.282%0.82283%0.83SS**PPolyproline II helixtrans-64.8158.7173.5-87.8-175.7168.700113.2
98P28.7Very low27.5Very low117 Ų117160 Ų16076%0.7683%0.829SS**PPolyproline II helixtrans-85.4132.9-158.632.7-32000112.2E100P98-E100 PolarHBondContact O-N 3.26Å
99R29.4Very low28Very low257 Ų257159.9 Ų159.997%0.9782%0.818SS**PPolyproline II helixtrans-74.1118.4174.8-152.7175.2-174.2177.62.2110.3
100E28.7Very low28.2Very low145 Ų145163.1 Ų163.168%0.67882%0.817SS**PPolyproline II helixtrans-60.1142177.6-107.2-173.1138.100115P98P98-E100 PolarHBondContact O-N 3.26Å
101K27.9Very low28.7Very low165 Ų165165.7 Ų165.772%0.71782%0.817SS**  trans40.6118.6134.4-64.6171.8-172.2156.90119.2
102R30Very low29Very low253 Ų253167.3 Ų167.396%0.95582%0.817SS**  -139.5107.4115.7-82.3-171.2-178.3161.20.3109.9
103S26.2Very low29.4Very low116 Ų116162.6 Ų162.681%0.81182%0.817SS**  trans-66.7129.7163.146.80000110
104C30.3Very low29.8Very low134 Ų134160.2 Ų160.291%0.90581%0.814SS**  trans-138.7109.1162.9-152.60000108.8
105G25.9Very low29.9Very low68 Ų68154.4 Ų154.470%0.70180%0.8SS**  trans75.896.1143.600000119
106E30.7Very low30.3Very low179 Ų179152 Ų15284%0.83680%0.804SS**SBendtrans53.2118.7137.4-70.5-175.8120.300121.4
107K29Very low30.6Very low177 Ų177145 Ų14577%0.7779%0.793SS**  trans65.679.1156.2-61.2-179.9-177.5174.80116.1
108C29.2Very low30.7Very low113 Ų113145.9 Ų145.976%0.76479%0.79SS**  trans-132.776155.9-76.80000108.1
109D31.1Very low31.2Very low144 Ų144149.8 Ų149.877%0.7780%0.798SS**  trans-66.8132.7165.5-61.6-50.3000108.4
110D32.8Very low31.6Very low147 Ų147146.1 Ų146.179%0.78679%0.789SS**  trans68.755.2166.8-56.5-33.6000119.6
111L36.5Very low31.9Very low149 Ų149144.2 Ų144.278%0.7879%0.792SS**  trans-105.685.9156-68.1177.8000110.9G113L111-G113 PolarHBondContact O-N 3.35Å
112R34.8Very low32.3Very low236 Ų236144.6 Ų144.689%0.89179%0.794SS**  trans-61.1104.8162.6-87.5179.4-124-165.3-1.4108.7V114R112-V114 PolarHBondContact O-N 2.99Å
113G33.1Very low32.2Very low80 Ų80140.5 Ų140.583%0.82579%0.79SS**  trans-58.3116.9172.800000110.9L111L111-G113 PolarHBondContact O-N 3.35Å
114V33.7Very low32.8Very low131 Ų131140.2 Ų140.279%0.79478%0.78SS**  trans-84.2132.8167.2-177.10000107.3R112R112-V114 PolarHBondContact O-N 2.99Å
115G29.9Very low33.3Very low47 Ų47145.6 Ų145.649%0.48578%0.783SS.*  trans-56.2177.3-163.100000118.5G117G115-G117 PolarHBondContact O-N 3.25Å
116P30.7Very low34.3Very low145 Ų145146.1 Ų146.194%0.94278%0.78SS**THydrogen-bonded Turntrans-63.7120.4-167.627.1-33.1000110.5
117G35.2Very low34.5Very low67 Ų67140.8 Ų140.869%0.69177%0.773SS**THydrogen-bonded Turntrans151.3-7.5179.600000115.7G115G115-G117 PolarHBondContact O-N 3.25Å
118Y32.1Very low34.9Very low193 Ų193140.2 Ų140.276%0.75777%0.77SS**  trans-128.5113177.2-63.7-81.8000111.1K120Y118-K120 PolarHBondContact O-N 3.11Å; Y118-K120 VanDerWaalsContact O-N 3.11Å
119E38.6Very low34.9Very low200 Ų200144.2 Ų144.294%0.93578%0.775SS**SBendtrans-65.5106.1162.4-109.5-179.7153.200108.5
120K38.1Very low35.4Very low179 Ų179146.8 Ų146.878%0.77878%0.78SS**  trans38.889161.3-67.3177.9179.4176.60115.9Y118 F122Y118-K120 PolarHBondContact O-N 3.11Å; Y118-K120 VanDerWaalsContact O-N 3.11Å; K120-F122 HydrophobicContact CB-CE2 4.31Å
121S33.6Very low35.7Very low106 Ų106141.8 Ų141.874%0.74176%0.763SS**  trans-106.4118.2159.758.90000110.3
122F37.3Very low35.8Very low172 Ų172138.2 Ų138.275%0.75476%0.762SS**  trans-88.6143.9170.4-63.5-86.4000110K120K120-F122 HydrophobicContact CB-CE2 4.31Å
123L27.9Very low36Very low168 Ų168131.7 Ų131.788%0.8876%0.758SS**  trans-97.4104177.7-124.2150.8000107.6
124D38.8Very low36.1Very low110 Ų110138.3 Ų138.359%0.58876%0.758SS**  trans-73.3140.7175.1-72.7-19.5000110.7A126 G127D124-A126 PolarHBondContact O-N 3.22Å; D124-G127 PolarHBondContact O-N 3.11Å
125Y41.2Very low36.3Very low247 Ų247141.5 Ų141.597%0.96976%0.762SS**THydrogen-bonded Turntrans-55.1-10.5-175.5-145.4-96.3000115.1
126A45.6Very low36.6Very low78 Ų78147.7 Ų147.765%0.64578%0.776SS**THydrogen-bonded Turntrans-97.37.5178.800000114.5D124 K128D124-A126 PolarHBondContact O-N 3.22Å; A126-K128 PolarHBondContact O-N 3.47Å; A126-K128 VanDerWaalsContact O-N 3.16Å
127G35.3Very low36.6Very low67 Ų67147.8 Ų147.869%0.69177%0.767SS**  trans64.421.6172.600000115.2D124D124-G127 PolarHBondContact O-N 3.11Å
128K36.8Very low36.6Very low165 Ų165148.6 Ų148.672%0.71776%0.76SS**  trans-97.3106.8179-68.2-176.8-176.8177.30110.3A126 K130A126-K128 PolarHBondContact O-N 3.47Å; A126-K128 VanDerWaalsContact O-N 3.16Å; K128-K130 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact O-N 3.08Å
129F29.7Very low36.8Very low197 Ų197147.1 Ų147.186%0.86476%0.764SS**  trans-66.7102.7176-167.7-95.9000110.8
130K41.6Very low36.4Very low199 Ų199146.8 Ų146.887%0.86576%0.755SS**  trans-100.255.5166.7-74.8-175.1177177.30110.3K128K128-K130 PolarHBondContact O-N 2.94Å; K128-K130 VanDerWaalsContact O-N 3.08Å
131G40.1Very low35.8Very low41 Ų41146.8 Ų146.842%0.42376%0.758SS.*  trans-87.3120.1173.200000110.8
132G38.3Very low35.7Very low74 Ų74150 Ų15076%0.76376%0.759SS**  trans-51.6150-178.500000114.2R134G132-R134 PolarHBondContact O-N 3.36Å
133A38Very low35.2Very low99 Ų99150.2 Ų150.282%0.81876%0.762SS**  trans-43.2124-176.600000112.6K135A133-K135 PolarHBondContact O-N 3.21Å; A133-K135 VanDerWaalsContact O-N 3.09Å
134R35.5Very low35.4Very low220 Ų220146.9 Ų146.983%0.8375%0.749SS**  trans-49.4116.9170.9-76177.4167.7-173.6-5109.1G132 F136G132-R134 PolarHBondContact O-N 3.36Å; R134-F136 PolarHBondContact O-N 3.42Å
135K39.3Very low35Very low198 Ų198146.5 Ų146.586%0.86176%0.755SS**  trans-66.2102.2160.8-67-179.3-178.3177.10106.2A133 L137A133-K135 PolarHBondContact O-N 3.21Å; A133-K135 VanDerWaalsContact O-N 3.09Å; K135-L137 PolarHBondContact O-N 2.92Å; K135-L137 VanDerWaalsContact O-N 3.11Å
136F34.7Very low34.6Very low177 Ų177143.1 Ų143.178%0.77675%0.748SS**  trans-64.8107.9158.7-74.7-88.1000105.7R134R134-F136 PolarHBondContact O-N 3.42Å
137L31.5Very low33.8Very low147 Ų147148.3 Ų148.377%0.7776%0.758SS**  trans-61.6126.5159.3-71.2169.6000105.8K135 I139K135-L137 PolarHBondContact O-N 2.92Å; K135-L137 VanDerWaalsContact O-N 3.11Å; L137-I139 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact O-N 3.12Å
138P35.7Very low33.7Very low83 Ų83154.1 Ų154.154%0.53977%0.765SS.*  trans-54.4122175.517.5-27.2000108.9Y140P138-Y140 VanDerWaalsContact C-N 3.33Å; P138-Y140 HydrophobicContact CB-CE2 4.12Å; P138-Y140 HydrophobicContact CG-CE2 3.73Å; P138-Y140 WeakPolarHBondContact O-CD2 3.34Å; P138-Y140 PolarHBondContact O-N 3.42Å
139I36.2Very low33.1Very low163 Ų163154.8 Ų154.884%0.83677%0.77SS**  trans-74.995.3171.9-58.5171.7000105.1L137 Q141L137-I139 PolarHBondContact O-N 2.88Å; L137-I139 VanDerWaalsContact O-N 3.12Å; I139-Q141 PolarHBondContact O-N 3.31Å
140Y29.5Very low33.2Very low193 Ų193151.3 Ų151.376%0.75777%0.765SS**  trans-68.7111.3166.3-63.1-80.8000107.1P138 K142P138-Y140 VanDerWaalsContact C-N 3.33Å; P138-Y140 HydrophobicContact CB-CE2 4.12Å; P138-Y140 HydrophobicContact CG-CE2 3.73Å; P138-Y140 WeakPolarHBondContact O-CD2 3.34Å; P138-Y140 PolarHBondContact O-N 3.42Å; Y140-K142 PolarHBondContact O-N 3.2Å
141Q26Very low32.6Very low179 Ų179146.5 Ų146.584%0.83675%0.752SS**  trans-66.596.3156.7-82.4179.9-35.100106.1I139 E143I139-Q141 PolarHBondContact O-N 3.31Å; Q141-E143 PolarHBondContact O-N 2.97Å
142K30.3Very low32.2Very low174 Ų174150.5 Ų150.576%0.75777%0.768SS**  trans-8693.3170.5-163.9-177.4-177.4-173.30106.2Y140 V144Y140-K142 PolarHBondContact O-N 3.2Å; K142-V144 HydrophobicContact CB-CG2 4.48Å; K142-V144 HydrophobicContact CD-CG2 3.88Å; K142-V144 HydrophobicContact CG-CG2 3.83Å; K142-V144 PolarHBondContact O-N 3.14Å; K142-V144 VanDerWaalsContact O-N 3.13Å
143E27.8Very low31.6Very low176 Ų176155.9 Ų155.982%0.82277%0.77SS**  trans-66.5104.4157.5-70.5-177.2171.100105.8Q141 S145Q141-E143 PolarHBondContact O-N 2.97Å; E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.46Å
144V30.9Very low30.8Very low98 Ų98154.8 Ų154.859%0.59477%0.769SS**  trans-84.285.8172.1-176.40000105.5K142K142-V144 HydrophobicContact CB-CG2 4.48Å; K142-V144 HydrophobicContact CD-CG2 3.88Å; K142-V144 HydrophobicContact CG-CG2 3.83Å; K142-V144 PolarHBondContact O-N 3.14Å; K142-V144 VanDerWaalsContact O-N 3.13Å
145S30.2Very low30.2Very low102 Ų102148.2 Ų148.271%0.71377%0.769SS**  trans-75.5119.8158.445.50000108E143E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.46Å
146E33Very low29.2Very low176 Ų176145.7 Ų145.782%0.82278%0.775SS**  trans50.899.7149.6-59.6-177.9175.700117.5K148E146-K148 PolarHBondContact O-N 3.01Å
147E30.1Very low28.7Very low186 Ų186140.6 Ų140.687%0.86977%0.773SS**  trans-52.897.3162.3-60.9174.4160.900110.5
148K31.8Very low28.6Very low190 Ų190138.6 Ų138.683%0.82678%0.777SS**  trans-84.3110.9155.3-85178.7178172.40108E146 V150E146-K148 PolarHBondContact O-N 3.01Å; K148-V150 PolarHBondContact O-N 3.35Å; K148-V150 VanDerWaalsContact O-N 3.09Å
149E25.4Very low28Very low179 Ų179144.6 Ų144.684%0.83680%0.795SS**  trans-49.5111.3166-72.9-176.2139.900110
150V31.8Very low27.6Very low123 Ų123145.9 Ų145.975%0.74580%0.797SS**  trans-101.790.7159.2-174.60000106.7K148 V152K148-V150 PolarHBondContact O-N 3.35Å; K148-V150 VanDerWaalsContact O-N 3.09Å; V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 HydrophobicContact CG1-CG2 3.9Å; V150-V152 PolarHBondContact O-N 3.22Å
151V28.1Very low27.3Very low98 Ų98144.4 Ų144.459%0.59480%0.797SS**  trans-65.192.7166.2176.50000107.8K153V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 HydrophobicContact CG1-CB 4.39Å; V151-K153 HydrophobicContact CG1-CD 4.13Å; V151-K153 HydrophobicContact CG1-CG 3.73Å; V151-K153 PolarHBondContact O-N 3.22Å
152V33Very low27.4Very low125 Ų125144 Ų14476%0.75880%0.795SS**  trans-82.486.2162.3-174.70000107.4V150V150-V152 VanDerWaalsContact C-N 3.32Å; V150-V152 HydrophobicContact CG1-CG2 3.9Å; V150-V152 PolarHBondContact O-N 3.22Å
153K24.7Very low27.3Very low188 Ų188144 Ų14482%0.81780%0.795SS**  trans-76127.3160.4-87.5175.4179.6178.40108.5V151V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 HydrophobicContact CG1-CB 4.39Å; V151-K153 HydrophobicContact CG1-CD 4.13Å; V151-K153 HydrophobicContact CG1-CG 3.73Å; V151-K153 PolarHBondContact O-N 3.22Å
154G22Very low27.4Very low76 Ų76144.3 Ų144.378%0.78479%0.794SS**  trans116.7116.4155.800000114.7
155G21.4Very low27.4Very low81 Ų81147.9 Ų147.984%0.83580%0.804SS**  trans151.255.7166.100000115.1
156C19Very low27.5Very low145 Ų145148.8 Ų148.898%0.9881%0.808SS**  trans-78.6125.1161.9-162.30000108.2
157G24.7Very low27.4Very low71 Ų71152 Ų15273%0.73281%0.812SS**  trans150.4139.5165.600000115.1
158A29.4Very low27.4Very low104 Ų104149.7 Ų149.786%0.8680%0.801SS**  trans92.277171.800000117.2
159K23Very low27.6Very low210 Ų210150.1 Ų150.191%0.91380%0.803SS**  -48.4132.6129.6-76.2172.4165.4177.90109.3
160E26.8Very low27.7Very low190 Ų190150.8 Ų150.889%0.88880%0.798SS**  -162.7136.7125.3-140.6171.8173.200110.7
161E24.1Very low27.7Very low162 Ų162151.1 Ų151.176%0.75780%0.804SS**  trans-61.4140.8171.4-67.2172.2104.700110.9
162E28.5Very low27.8Very low169 Ų169151.7 Ų151.779%0.7981%0.813SS**  trans-143.1106.7136.2-132-170.2-174.400109.9K164E162-K164 PolarHBondContact O-N 3.29Å
163K26.8Very low27.5Very low174 Ų174149.6 Ų149.676%0.75782%0.816SS**  trans-54.4120.2163.7-74.8169.4175.3167.90109
164K31.6Very low27.6Very low184 Ų184144 Ų14480%0.881%0.812SS**  trans-120.4106.7147.2-80.3-176.3-179.6166.30109E162E162-K164 PolarHBondContact O-N 3.29Å
165E30.5Very low27.9Very low172 Ų172149.8 Ų149.880%0.80482%0.815SS**  trans-53144.1174-66.7176.9149.900111.6R167E165-R167 PolarHBondContact O-N 2.94Å
166P30.9Very low28.4Very low122 Ų122151.2 Ų151.279%0.79281%0.813SS**  trans-71.4111.6176.329.5-31.9000109E168P166-E168 PolarHBondContact O-N 3.35Å
167R31.2Very low29Very low244 Ų244149.5 Ų149.592%0.92180%0.801SS**  trans-63.8104173.9-155.3175.1-173.5-179.32.7109E165 K169E165-R167 PolarHBondContact O-N 2.94Å; R167-K169 PolarHBondContact O-N 2.9Å; R167-K169 VanDerWaalsContact O-N 3.08Å
168E30.8Very low29.6Very low137 Ų137153.3 Ų153.364%0.6481%0.805SS**  trans-51109.6168.5-71.8-171.9163.500109.8P166 R170P166-E168 PolarHBondContact O-N 3.35Å; E168-R170 PolarHBondContact O-N 2.87Å; E168-R170 IonicContact OE1-NH2 3.7Å; E168-R170 IonicContact OE2-CZ 3.37Å; E168-R170 VanDerWaalsContact OE2-CZ 3.3Å; E168-R170 IonicContact OE2-NE 2.83Å; E168-R170 PolarHBondContact OE2-NE 3.49Å; E168-R170 IonicContact OE2-NH2 3.89Å; E168-R170 PolarHBondContact OE2-NH2 3.42Å
169K35.9Very low30Very low198 Ų198154.9 Ų154.986%0.86180%0.798SS**  trans-90.286.3153.7-77.9-172.4178.1-179.30107.6R167 C171R167-K169 PolarHBondContact O-N 2.9Å; R167-K169 VanDerWaalsContact O-N 3.08Å; K169-C171 PolarHBondContact O-N 3.37Å
170R28.3Very low30.8Very low194 Ų194155.2 Ų155.273%0.73279%0.794SS**  trans-62.5112.7157-67179.4-169.7-172.7-0.7107.4E168E168-R170 PolarHBondContact O-N 2.87Å; E168-R170 IonicContact OE1-NH2 3.7Å; E168-R170 IonicContact OE2-CZ 3.37Å; E168-R170 VanDerWaalsContact OE2-CZ 3.3Å; E168-R170 IonicContact OE2-NE 2.83Å; E168-R170 PolarHBondContact OE2-NE 3.49Å; E168-R170 IonicContact OE2-NH2 3.89Å; E168-R170 PolarHBondContact OE2-NH2 3.42Å
171C32.2Very low31.2Very low129 Ų129149.9 Ų149.987%0.87279%0.789SS**  trans-103.581.7151.5-76.10000106.9K169K169-C171 PolarHBondContact O-N 3.37Å
172S29.5Very low31.8Very low111 Ų111146.4 Ų146.478%0.77678%0.779SS**  trans-70.1121.8157.547.60000108.6
173G26.2Very low32Very low81 Ų81140.5 Ų140.584%0.83576%0.763SS**  trans108.9119.7159.200000115.7
174G26.1Very low32.3Very low70 Ų70139.2 Ų139.272%0.72277%0.773SS**  trans11189.2148.100000116.5
175K28.4Very low32.7Very low197 Ų197134 Ų13486%0.85777%0.771SS**SBendtrans39.9113.2142.5-64.3178.4179.2178.90118.4
176S33Very low32.8Very low112 Ų112131.8 Ų131.878%0.78376%0.756SS**  trans50.777.9152.962.40000116.6
177C30.6Very low33.2Very low109 Ų109135.2 Ų135.274%0.73676%0.761SS**  trans-119.983158.2-69.90000108.4L179C177-L179 PolarHBondContact O-N 3.28Å
178D38.5Very low33.5Very low150 Ų150132.1 Ų132.180%0.80275%0.754SS**  trans-71.354164.3-73.2-50.9000110.4R180D178-R180 PolarHBondContact O-N 2.93Å
179L37.3Very low33.9Very low137 Ų137127.3 Ų127.372%0.71774%0.736SS**  trans-9280.2168.1-69175.5000107.6C177 G181C177-L179 PolarHBondContact O-N 3.28Å; L179-G181 VanDerWaalsContact C-N 3.28Å; L179-G181 PolarHBondContact O-N 3.16Å
180R39.9Very low33.8Very low218 Ų218126.1 Ų126.182%0.82373%0.727SS**  trans-64.393.9162.2-70.1-175.9-172.6-163.53.1107.5D178 V182D178-R180 PolarHBondContact O-N 2.93Å; R180-V182 PolarHBondContact O-N 3.41Å; R180-V182 VanDerWaalsContact O-N 3.1Å
181G34.6Very low34Very low77 Ų77122.5 Ų122.579%0.79472%0.722SS**  trans-56.5112.8173.400000110.3L179L179-G181 VanDerWaalsContact C-N 3.28Å; L179-G181 PolarHBondContact O-N 3.16Å
182V37Very low34.7Very low90 Ų90119.4 Ų119.455%0.54570%0.697SS.*PPolyproline II helixtrans-76.9131.7168.7-1770000107.2R180 Y186R180-V182 PolarHBondContact O-N 3.41Å; R180-V182 VanDerWaalsContact O-N 3.1Å; V182-Y186 HydrophobicContact CG1-CD2 3.79Å; V182-Y186 HydrophobicContact CG1-CE2 4.13Å
183G33.5Very low35.4Very low45 Ų45126 Ų12646%0.46471%0.707SS.*PPolyproline II helixtrans-55168-170.100000116.4G185G183-G185 PolarHBondContact O-N 3.24Å
184P33.3Very low36.7Very low147 Ų147128.8 Ų128.896%0.95570%0.702SS**THydrogen-bonded Turntrans-58.7123.2-170.425.3-33.3000110.4
185G39Very low37.7Very low73 Ų73128.2 Ų128.275%0.75370%0.697SS**THydrogen-bonded Turntrans139.8-6.6-179.700000115.4G183G183-G185 PolarHBondContact O-N 3.24Å
186Y33.2Very low38.4Very low127 Ų127125 Ų12550%0.49868%0.684SS.*  trans-119.6106.8174.4-61.2-85.5000110.2V182 K188V182-Y186 HydrophobicContact CG1-CD2 3.79Å; V182-Y186 HydrophobicContact CG1-CE2 4.13Å; Y186-K188 PolarHBondContact O-N 3.34Å
187E39.7Very low38.6Very low193 Ų193126.5 Ų126.590%0.90268%0.677SS**SBendtrans-76.8105.3166.4-134.9177-173.700107.5
188K37Very low39.4Very low179 Ų179128.8 Ų128.878%0.77867%0.674SS**SBendtrans63.584.4173.2-56.6176.3-176.7176.70115.3Y186Y186-K188 PolarHBondContact O-N 3.34Å
189S38.3Very low39.7Very low37 Ų37122.9 Ų122.926%0.25965%0.649SS.*  trans-122.9118158.4610000109.8
190Y35.6Very low39.8Very low172 Ų172119.9 Ų119.968%0.67565%0.651SS**PPolyproline II helixtrans-99.6145170.2-62-87.3000109.2
191L32Very low39.8Very low118 Ų118114.1 Ų114.162%0.61865%0.65SS**BIsolated β-bridgetrans-85.8123.6167.6-80.8157.9000107.6
192D46.7Very low40Very low65 Ų65119.7 Ų119.735%0.34865%0.647SS.*PPolyproline II helixtrans-69.1151.6169.3-71.1-12.7000109.4D194 G195 K198D192-D194 PolarHBondContact O-N 3.32Å; D192-G195 PolarHBondContact O-N 3.12Å; D192-K198 WeakPolarHBondContact OD2-CD 3.33Å; D192-K198 WeakPolarHBondContact OD2-CE 3.46Å; D192-K198 IonicContact OD2-NZ 3.92Å; D192-K198 PolarHBondContact OD2-NZ 2.94Å
193Y43.9Very low40.2Very low250 Ų250125 Ų12598%0.9866%0.663SS**THydrogen-bonded Turntrans-52.8-26.5-176.8-78-84.6000114.3G195Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.03Å
194D54.4Low40.6Very low139 Ų139131.1 Ų131.174%0.74368%0.677SS**THydrogen-bonded Turntrans-868.7177.2-62.3-39.2000114D192 H196D192-D194 PolarHBondContact O-N 3.32Å; D194-H196 VanDerWaalsContact C-N 3.32Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.06Å; D194-H196 PolarHBondContact O-ND1 3.36Å
195G45.1Very low40.6Very low58 Ų58131.4 Ų131.460%0.59867%0.67SS**  trans7316.4175.800000115.4D192 Y193D192-G195 PolarHBondContact O-N 3.12Å; Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 3.03Å
196H43.5Very low40.4Very low128 Ų128132 Ų13259%0.59366%0.66SS**  trans-89.7120.1179.9-68.772.3000111.1D194 K198D194-H196 VanDerWaalsContact C-N 3.32Å; D194-H196 PolarHBondContact O-CE1 3.05Å; D194-H196 PolarHBondContact O-N 3.06Å; D194-H196 PolarHBondContact O-ND1 3.36Å; H196-K198 PolarHBondContact O-N 3.13Å; H196-K198 VanDerWaalsContact O-N 3.14Å
197F37.6Very low40.8Very low144 Ų144133.5 Ų133.563%0.63268%0.675SS**BIsolated β-bridgetrans-71.1104.3178.2-174.8-95.4000110.8
198K47.3Very low40.3Very low157 Ų157133.8 Ų133.868%0.68367%0.669SS**  trans-103.554.2168.8-68.5-176.9-171.9147.50111D192 H196D192-K198 WeakPolarHBondContact OD2-CD 3.33Å; D192-K198 WeakPolarHBondContact OD2-CE 3.46Å; D192-K198 IonicContact OD2-NZ 3.92Å; D192-K198 PolarHBondContact OD2-NZ 2.94Å; H196-K198 PolarHBondContact O-N 3.13Å; H196-K198 VanDerWaalsContact O-N 3.14Å
199G45.1Very low39.9Very low26 Ų26133.6 Ų133.627%0.26867%0.671SS.*  trans-89.1120.1172.500000111.1
200G40.3Very low39.6Very low74 Ų74140.8 Ų140.876%0.76370%0.698SS**  trans-54.3153.7-178.800000114.3R202G200-R202 PolarHBondContact O-N 3.03Å
201A38.7Very low39.4Very low97 Ų97140.5 Ų140.580%0.80270%0.703SS**  trans-43.4127.4-174.700000113.2K203A201-K203 PolarHBondContact O-N 3.05Å
202R39.8Very low39.3Very low195 Ų195140.7 Ų140.774%0.73671%0.709SS**  trans-52.1113.1171.5-75.5178168.6-174.8-3.7109.4G200 F204G200-R202 PolarHBondContact O-N 3.03Å; R202-F204 PolarHBondContact O-N 3.39Å
203K41.3Very low38.5Very low201 Ų201142.6 Ų142.687%0.87473%0.727SS**  trans-73.4105.5160.2-67.6-177.7-177.9177.40106.4A201 L205A201-K203 PolarHBondContact O-N 3.05Å; K203-L205 PolarHBondContact O-N 3.36Å
204F40.2Very low37.8Very low173 Ų173139 Ų13976%0.75972%0.719SS**PPolyproline II helixtrans-61.8118164.3-72-90.8000106.7R202R202-F204 PolarHBondContact O-N 3.39Å
205L33.6Very low36.6Very low154 Ų154140.9 Ų140.981%0.80672%0.723SS**PPolyproline II helixtrans-61.7129.1159.5-72.8166.9000106.3K203 I207K203-L205 PolarHBondContact O-N 3.36Å; L205-I207 PolarHBondContact O-N 2.89Å; L205-I207 VanDerWaalsContact O-N 3.11Å
206P36.2Very low35.9Very low85 Ų85147.6 Ų147.655%0.55274%0.736SS**PPolyproline II helixtrans-55.1121.1176.619.1-29000109Y208P206-Y208 VanDerWaalsContact C-N 3.32Å; P206-Y208 HydrophobicContact CB-CE2 4.25Å; P206-Y208 HydrophobicContact CG-CE2 3.85Å; P206-Y208 WeakPolarHBondContact O-CD2 3.47Å; P206-Y208 PolarHBondContact O-N 3.48Å
207I40.1Very low35.1Very low158 Ų158150.3 Ų150.381%0.8175%0.749SS**  trans-75.494.4172.4-55.6172.3000105L205 Q209L205-I207 PolarHBondContact O-N 2.89Å; L205-I207 VanDerWaalsContact O-N 3.11Å; I207-Q209 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact O-N 3.13Å
208Y28.7Very low34.8Very low199 Ų199149.1 Ų149.178%0.7875%0.753SS**  trans-64.7110.9166.5-64.6-80.8000107.2P206 K210P206-Y208 VanDerWaalsContact C-N 3.32Å; P206-Y208 HydrophobicContact CB-CE2 4.25Å; P206-Y208 HydrophobicContact CG-CE2 3.85Å; P206-Y208 WeakPolarHBondContact O-CD2 3.47Å; P206-Y208 PolarHBondContact O-N 3.48Å; Y208-K210 PolarHBondContact O-N 3.34Å
209Q29.5Very low33.9Very low175 Ų175147.1 Ų147.182%0.81875%0.754SS**  trans-61.6108.4160.1-91.5177.8-34.400106.4I207 E211I207-Q209 PolarHBondContact O-N 2.86Å; I207-Q209 VanDerWaalsContact O-N 3.13Å; Q209-E211 VanDerWaalsContact C-N 3.28Å; Q209-E211 PolarHBondContact O-N 3.33Å; Q209-E211 VanDerWaalsContact O-N 3.09Å
210K31.6Very low33.4Very low189 Ų189151.7 Ų151.782%0.82278%0.776SS**  trans-80.286.8172.9-154.3178.4-173.1-175.30106.1Y208 V212Y208-K210 PolarHBondContact O-N 3.34Å; K210-V212 PolarHBondContact O-N 2.98Å; K210-V212 VanDerWaalsContact O-N 3.07Å
211E31.6Very low32.7Very low166 Ų166157.4 Ų157.478%0.77678%0.78SS**  trans-65.3103161.7-71.9-176.8170.700106.5Q209 S213Q209-E211 VanDerWaalsContact C-N 3.28Å; Q209-E211 PolarHBondContact O-N 3.33Å; Q209-E211 VanDerWaalsContact O-N 3.09Å; E211-S213 PolarHBondContact O-N 3.08Å
212V29.7Very low31.9Very low122 Ų122156.5 Ų156.574%0.73978%0.78SS**  trans-76.884168.3-175.10000105.1K210K210-V212 PolarHBondContact O-N 2.98Å; K210-V212 VanDerWaalsContact O-N 3.07Å
213S30.8Very low31.1Very low105 Ų105151.1 Ų151.173%0.73479%0.785SS**  trans-71.2129.8161.937.70000107.8E211E211-S213 PolarHBondContact O-N 3.08Å
214E28.6Very low30.1Very low173 Ų173148.4 Ų148.481%0.80879%0.79SS**  trans-59.7143.6179.9-66.5165.5153.600111.4
215E28.5Very low29.5Very low180 Ų180143.5 Ų143.584%0.84179%0.789SS**  trans52.686.5147.4-59.9-179.1-179.900118.4
216K31.2Very low29.2Very low198 Ų198141 Ų14186%0.86179%0.79SS**  trans-138101.5136.4-74.6-169.8177.4166.90109.8V218K216-V218 PolarHBondContact O-N 3.12Å; K216-V218 VanDerWaalsContact O-N 3.1Å
217E26Very low28.8Very low186 Ų186146.2 Ų146.287%0.86980%0.804SS**  trans-52.2111.4158.1-74.4-174.9142.500108.8
218V31.9Very low28.1Very low119 Ų119146.5 Ų146.572%0.72180%0.802SS**  trans-117.791.3157.1-169.60000106.2K216 V220K216-V218 PolarHBondContact O-N 3.12Å; K216-V218 VanDerWaalsContact O-N 3.1Å; V218-V220 HydrophobicContact CG1-CG2 3.81Å; V218-V220 PolarHBondContact O-N 2.91Å
219V28.7Very low28.1Very low115 Ų115143.7 Ų143.770%0.69780%0.796SS**  trans-63.597.5165.6176.50000107.4K221V219-K221 HydrophobicContact CG1-CG 4.13Å
220V34.1Very low28.2Very low121 Ų121143.7 Ų143.773%0.73380%0.796SS**  trans-104.994159-173.10000107.5V218V218-V220 HydrophobicContact CG1-CG2 3.81Å; V218-V220 PolarHBondContact O-N 2.91Å
221K25.3Very low28Very low194 Ų194142.7 Ų142.784%0.84379%0.791SS**  trans-66.2128.9161.2-77.4179.3175.31770108.4V219V219-K221 HydrophobicContact CG1-CG 4.13Å
222G23.1Very low28.1Very low78 Ų78143.9 Ų143.980%0.80479%0.794SS**  trans134.9116.7153.600000115
223G23.1Very low28.2Very low82 Ų82146.5 Ų146.585%0.84580%0.798SS**  trans118.489148.100000116.4
224C20.2Very low28.3Very low144 Ų144147.6 Ų147.697%0.97380%0.803SS**  trans-70.1145.2150.7-84.60000110.5
225G27.3Very low28.5Very low71 Ų71151.3 Ų151.373%0.73281%0.81SS**  trans133.794.9168.700000111
226A27Very low28.7Very low100 Ų100151.5 Ų151.583%0.82681%0.811SS**  60.6101.77600000114.2
227K28.4Very low28.9Very low196 Ų196151.8 Ų151.885%0.85281%0.812SS**  trans157.4106146.4-90.6179.7178.7-1730107.8
228E25.7Very low29.3Very low164 Ų164154.6 Ų154.677%0.76682%0.815SS**  75.5121.674.2-164.8173.5-148.800113.3
229E27Very low29.2Very low139 Ų139154.4 Ų154.465%0.6582%0.819SS**  trans55.2117.9160.1-72.6-164.8138.700121.1K231E229-K231 IonicContact OE1-NZ 2.8Å; E229-K231 PolarHBondContact OE1-NZ 3.23Å
230E32.8Very low29.4Very low175 Ų175155.1 Ų155.182%0.81883%0.827SS**  -151.1112116.2-118.9-173.9-172.700111.1
231K27.2Very low29.1Very low168 Ų168152.8 Ų152.873%0.7383%0.827SS**  trans-60.5131.3164.3-73.9162176.3142.90109.1E229E229-K231 IonicContact OE1-NZ 2.8Å; E229-K231 PolarHBondContact OE1-NZ 3.23Å
232K33.3Very low29.3Very low191 Ų191152.4 Ų152.483%0.8383%0.829SS**  trans-123.6120.3151.6-80-174.6178.8170.30110
233E31Very low29.7Very low177 Ų177158 Ų15883%0.82783%0.831SS**  trans-66.3146.9-170.3-61.8171.814700112.9R235E233-R235 PolarHBondContact O-N 3.23Å
234P33.1Very low30Very low129 Ų129159 Ų15984%0.83882%0.824SS**  trans-78115.11715.510.8000110
235R33.7Very low30.7Very low250 Ų250159 Ų15994%0.94381%0.814SS**  trans-56.9135.1173.5-111.3177174.1172-1.5112E233E233-R235 PolarHBondContact O-N 3.23Å
236E31.7Very low31.1Very low184 Ų184163.4 Ų163.486%0.8682%0.815SS**  trans-46.9136.2-179-74169.8124.900115.6R238E236-R238 PolarHBondContact O-N 3.11Å
237K35.8Very low31.5Very low205 Ų205166 Ų16689%0.89181%0.814SS**  trans-78.3112.5158.2-72.9179.3178.6176.90108.4S239K237-S239 PolarHBondContact O-N 3.06Å
238R34.9Very low31.9Very low245 Ų245167.9 Ų167.993%0.92582%0.816SS**  trans-55.9122166.8-74.4178.4173.1158.9-3.3110.2E236E236-R238 PolarHBondContact O-N 3.11Å
239S28.8Very low32.3Very low115 Ų115163.7 Ų163.780%0.80482%0.817SS**  trans-78.6113.3163.649.70000110.1K237K237-S239 PolarHBondContact O-N 3.06Å
240C33.1Very low32.8Very low130 Ų130161.8 Ų161.888%0.87881%0.814SS**  trans-122.2121.5147.2-75.20000103.7
241G27.6Very low32.8Very low71 Ų71155.6 Ų155.673%0.73280%0.797SS**  cis109.19349.400000106.5
242E30.9Very low33.2Very low187 Ų187154.6 Ų154.687%0.87481%0.808SS**SBendtrans42.4128.3155.3-63-176.7149.300121.4
243K32.1Very low33.6Very low195 Ų195149 Ų14985%0.84881%0.805SS**  trans70.272.9164.9-62.1177.5-178173.30116.9
244C28.8Very low33.7Very low103 Ų103147 Ų14770%0.69679%0.791SS**  trans-153.675.2149.6-91.40000108.9H246C244-H246 PolarHBondContact O-N 3.1Å
245D34.5Very low33.9Very low144 Ų144149.8 Ų149.877%0.7779%0.792SS**THydrogen-bonded Turntrans-60.7131.3165.6-63.8-50.7000108.8
246H35.7Very low34.2Very low164 Ų164145.7 Ų145.776%0.75978%0.781SS**THydrogen-bonded Turntrans93.712.7168.7-50.287000120.6C244 R248C244-H246 PolarHBondContact O-N 3.1Å; H246-R248 PolarHBondContact O-N 3.43Å
247L35Very low34.5Very low155 Ų155139.4 Ų139.481%0.81276%0.758SS**  trans-89.878.7165.1-66.7178.1000111.7G249L247-G249 PolarHBondContact O-N 3.21Å
248R37.7Very low34.6Very low235 Ų235138 Ų13889%0.88775%0.748SS**  trans-6789.1155.7-83.5-175.5-177.4-170.71.8107.7H246 V250H246-R248 PolarHBondContact O-N 3.43Å; R248-V250 PolarHBondContact O-N 3.06Å
249G33.8Very low34.4Very low76 Ų76132.6 Ų132.678%0.78474%0.737SS**  trans-58.2108.7169.700000110.1L247L247-G249 PolarHBondContact O-N 3.21Å
250V37.3Very low35.2Very low98 Ų98131 Ų13159%0.59472%0.72SS**PPolyproline II helixtrans-78.6137.7168-177.60000107.2R248 Y254R248-V250 PolarHBondContact O-N 3.06Å; V250-Y254 HydrophobicContact CG1-CD2 3.88Å; V250-Y254 HydrophobicContact CG1-CE2 4.22Å
251G33Very low35.8Very low45 Ų45136 Ų13646%0.46472%0.722SS.*PPolyproline II helixtrans-56.1172-165.900000117.2G253G251-G253 PolarHBondContact O-N 3.36Å
252P34.7Very low36.8Very low147 Ų147136.6 Ų136.696%0.95572%0.72SS**THydrogen-bonded Turntrans-60.3122.3-171.126.5-33.3000110.2
253G41.5Very low37.4Very low74 Ų74130.6 Ų130.676%0.76371%0.708SS**THydrogen-bonded Turntrans135.4-5.2-179.100000115.3G251G251-G253 PolarHBondContact O-N 3.36Å
254Y33.1Very low37.9Very low136 Ų136128.6 Ų128.653%0.53370%0.699SS.*  trans-116.5100.7174.6-66.3-82.1000110.9V250 K256V250-Y254 HydrophobicContact CG1-CD2 3.88Å; V250-Y254 HydrophobicContact CG1-CE2 4.22Å; Y254-K256 PolarHBondContact O-N 3.48Å
255E39.2Very low38.2Very low186 Ų186130.9 Ų130.987%0.86970%0.698SS**SBendtrans-77.3107.1166.4-133.2176.9-178.500107.9
256K38.4Very low38.7Very low164 Ų164132 Ų13271%0.71370%0.696SS**SBendtrans59.481.5169.4-60.6174.4-177.8173.80115.5Y254 Y258Y254-K256 PolarHBondContact O-N 3.48Å; K256-Y258 HydrophobicContact CB-CE1 4.26Å
257S38.2Very low39.1Very low53 Ų53125.4 Ų125.437%0.37167%0.673SS.*  trans-124.1117.4157.963.10000110.2
258Y38.4Very low39.3Very low174 Ų174121.6 Ų121.668%0.68267%0.671SS**PPolyproline II helixtrans-96.1142.9174.8-17.5-81.7000109.2K256K256-Y258 HydrophobicContact CB-CE1 4.26Å
259L31.3Very low39.1Very low132 Ų132115.1 Ų115.169%0.69167%0.667SS**PPolyproline II helixtrans-89.9116.2169.9-86.9158.8000108.1
260D45.5Very low39.3Very low82 Ų82120.6 Ų120.644%0.43967%0.665SS.*PPolyproline II helixtrans-68.3145.8170.2-72.4-18.3000109.8A262 G263D260-A262 PolarHBondContact O-N 3.46Å; D260-G263 PolarHBondContact O-N 3.42Å
261Y44.8Very low39.3Very low235 Ų235125.7 Ų125.792%0.92268%0.679SS**THydrogen-bonded Turntrans-50.8-20.8-178-110.2-90.9000114.9
262A49.1Very low39.4Very low83 Ų83131.7 Ų131.769%0.68669%0.692SS**THydrogen-bonded Turntrans-89.48.5177.600000114.4D260 K264D260-A262 PolarHBondContact O-N 3.46Å; A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 2.97Å
263G44.2Very low39.3Very low62 Ų62132.3 Ų132.364%0.63969%0.687SS**  trans70.515.3174.900000115.4D260D260-G263 PolarHBondContact O-N 3.42Å
264K41.2Very low38.8Very low152 Ų152132.6 Ų132.666%0.66168%0.675SS**  trans-90.1112178.4-66-171.9-178.9-177.80110.6A262 K266A262-K264 VanDerWaalsContact C-N 3.28Å; A262-K264 PolarHBondContact O-N 2.97Å; K264-K266 PolarHBondContact O-N 3.43Å
265F35.9Very low39Very low151 Ų151133.8 Ų133.866%0.66269%0.689SS**  trans-68.1108.5177.5-175.5-96.2000111.1
266K44.8Very low38.4Very low167 Ų167134.3 Ų134.373%0.72669%0.685SS**  trans-107.759.9168.8-72.7-178.6178.8168.30110.2K264K264-K266 PolarHBondContact O-N 3.43Å
267G44.4Very low38Very low27 Ų27134.7 Ų134.728%0.27869%0.689SS.*PPolyproline II helixtrans-94.7120.3174.200000111.1
268G38.7Very low37.6Very low75 Ų75141.4 Ų141.477%0.77371%0.711SS**PPolyproline II helixtrans-56.5157-178.100000114.6R270G268-R270 PolarHBondContact O-N 3.43Å
269A34.5Very low37.4Very low98 Ų98141 Ų14181%0.8172%0.716SS**PPolyproline II helixtrans-46.8128.1-172.500000113.6K271A269-K271 PolarHBondContact O-N 3.21Å; A269-K271 VanDerWaalsContact O-N 3.14Å
270R37.4Very low37.3Very low192 Ų192139.7 Ų139.773%0.72571%0.713SS**  trans-55.7114.6170.5-79.4178.9167.1-171.7-5.3109.5G268 F272G268-R270 PolarHBondContact O-N 3.43Å; R270-F272 PolarHBondContact O-N 3.05Å
271K37.1Very low36.6Very low205 Ų205141 Ų14189%0.89173%0.728SS**  trans-75.1107.8158-68.4-176.9-179.9178.90106.7A269 L273A269-K271 PolarHBondContact O-N 3.21Å; A269-K271 VanDerWaalsContact O-N 3.14Å; K271-L273 PolarHBondContact O-N 2.76Å
272F35.3Very low36Very low171 Ų171137.1 Ų137.175%0.7572%0.719SS**PPolyproline II helixtrans-64.9120.9166.8-71.7-90.4000107.2R270 P274R270-F272 PolarHBondContact O-N 3.05Å; F272-P274 WeakPolarHBondContact O-CD 3.29Å
273L31.6Very low35Very low159 Ų159141.2 Ų141.283%0.83272%0.724SS**PPolyproline II helixtrans-65.8121.8162.4-76.2164.5000106.5K271 I275K271-L273 PolarHBondContact O-N 2.76Å; L273-I275 PolarHBondContact O-N 2.94Å; L273-I275 VanDerWaalsContact O-N 3.14Å
274P31.3Very low34.4Very low81 Ų81148 Ų14853%0.52674%0.736SS.*PPolyproline II helixtrans-58.5120.8177.820.1-28.5000108.9F272 Y276F272-P274 WeakPolarHBondContact O-CD 3.29Å; P274-Y276 VanDerWaalsContact C-N 3.32Å; P274-Y276 HydrophobicContact CB-CE2 4.25Å; P274-Y276 HydrophobicContact CG-CE2 3.79Å; P274-Y276 WeakPolarHBondContact O-CD2 3.37Å; P274-Y276 PolarHBondContact O-N 3.18Å
275I37.6Very low33.7Very low161 Ų161149.4 Ų149.483%0.82674%0.744SS**  trans-73.795.6169.6-57.9172.3000105.1L273 Q277L273-I275 PolarHBondContact O-N 2.94Å; L273-I275 VanDerWaalsContact O-N 3.14Å; I275-Q277 PolarHBondContact O-N 3.08Å; I275-Q277 VanDerWaalsContact O-N 3.08Å
276Y27.6Very low33.7Very low197 Ų197148.9 Ų148.977%0.77375%0.753SS**  trans-64108.7167.5-65.7-83000107.3P274 K278P274-Y276 VanDerWaalsContact C-N 3.32Å; P274-Y276 HydrophobicContact CB-CE2 4.25Å; P274-Y276 HydrophobicContact CG-CE2 3.79Å; P274-Y276 WeakPolarHBondContact O-CD2 3.37Å; P274-Y276 PolarHBondContact O-N 3.18Å; Y276-K278 PolarHBondContact O-N 3.1Å; Y276-K278 VanDerWaalsContact O-N 3.12Å
277Q30.4Very low32.8Very low172 Ų172146.5 Ų146.580%0.80475%0.753SS**  trans-63.2111.5162.4-84.9-179.5-28.500106.8I275 E279I275-Q277 PolarHBondContact O-N 3.08Å; I275-Q277 VanDerWaalsContact O-N 3.08Å; Q277-E279 VanDerWaalsContact C-N 3.34Å; Q277-E279 PolarHBondContact O-N 3.09Å; Q277-E279 VanDerWaalsContact O-N 3.1Å
278K28.8Very low32Very low193 Ų193150.6 Ų150.684%0.83977%0.772SS**  trans-77.191173.2-161179.8-175.4-172.40106.5Y276 V280Y276-K278 PolarHBondContact O-N 3.1Å; Y276-K278 VanDerWaalsContact O-N 3.12Å; K278-V280 PolarHBondContact O-N 3.28Å
279E33.3Very low31.4Very low166 Ų166156.6 Ų156.678%0.77678%0.776SS**  trans-68.1107.9165.6-70-174.6169.100107.3Q277 S281Q277-E279 VanDerWaalsContact C-N 3.34Å; Q277-E279 PolarHBondContact O-N 3.09Å; Q277-E279 VanDerWaalsContact O-N 3.1Å; E279-S281 VanDerWaalsContact C-N 3.3Å; E279-S281 PolarHBondContact O-N 3.14Å
280V31Very low30.9Very low105 Ų105155.6 Ų155.664%0.63678%0.776SS**  trans-81.886168.6-177.70000105.9K278 E282K278-V280 PolarHBondContact O-N 3.28Å; V280-E282 HydrophobicContact CG1-CG 3.87Å; V280-E282 PolarHBondContact O-N 3Å
281S28.9Very low30.2Very low108 Ų108150 Ų15076%0.75578%0.778SS**  trans-87.292.3162.660.70000107.5E279 E283E279-S281 VanDerWaalsContact C-N 3.3Å; E279-S281 PolarHBondContact O-N 3.14Å; S281-E283 PolarHBondContact O-N 3.26Å
282E32.4Very low29.4Very low155 Ų155147.2 Ų147.272%0.72478%0.783SS**  trans-81.6108.9166.5-80.6174.6-176.300109.3V280V280-E282 HydrophobicContact CG1-CG 3.87Å; V280-E282 PolarHBondContact O-N 3Å
283E28.1Very low29Very low169 Ų169142.5 Ų142.579%0.7978%0.782SS**  trans72.884.7134.6-55.8-177.4178.400118.1S281S281-E283 PolarHBondContact O-N 3.26Å
284K32.5Very low28.8Very low205 Ų205139.8 Ų139.889%0.89178%0.783SS**  trans-115.1103.8136.2-85.6-174.7176.9-178.40109.2V286K284-V286 PolarHBondContact O-N 2.88Å
285E25.7Very low28.6Very low181 Ų181145.6 Ų145.685%0.84680%0.8SS**  trans-51.8117.4162.9-66.1-178.613800109.7
286V35.6Very low28.1Very low139 Ų139147.6 Ų147.684%0.84281%0.806SS**  trans-131.198.5150.6-175.90000107.7K284 V288K284-V286 PolarHBondContact O-N 2.88Å; V286-V288 PolarHBondContact O-N 2.89Å
287V27.6Very low28Very low118 Ų118146.8 Ų146.872%0.71581%0.809SS**  trans-56.3119.1167.1165.90000110.1
288V27Very low28Very low112 Ų112146.5 Ų146.568%0.67981%0.807SS**  trans49.9119134-157.30000118.6V286V286-V288 PolarHBondContact O-N 2.89Å
289K25.6Very low27.8Very low201 Ų201146.7 Ų146.787%0.87481%0.808SS**  151.4124.3114.1-83.1-172.4179.9174.10111
290G23.5Very low27.7Very low78 Ų78147.9 Ų147.980%0.80481%0.811SS**  trans128.6112.9139.700000117.5
291G24Very low27.7Very low74 Ų74151.8 Ų151.876%0.76382%0.822SS**  trans80.4111.2152.900000114.9
292C20.1Very low27.8Very low147 Ų147152.4 Ų152.499%0.99382%0.824SS**  cis59.497.638.4-136.10000113.6
293G26.9Very low27.8Very low72 Ų72156.6 Ų156.674%0.74283%0.833SS**  trans145.179.5176.400000110.5
294A26Very low27.9Very low101 Ų101155.6 Ų155.684%0.83583%0.828SS**  57.198.287.700000113.4
295K28.8Very low28Very low204 Ų204155.6 Ų155.689%0.88783%0.828SS**  trans-171.483.9144.9-106.8177.7-178.1-1740108.9
296E26.1Very low28.3Very low203 Ų203157.3 Ų157.395%0.94983%0.827SS**  trans-97.888.4169.6-160.7178.1-163.400107
297E25.3Very low28Very low179 Ų179156.9 Ų156.984%0.83683%0.829SS**  trans-126.4104.5166.4-93.9-167.6147.800107.3
298E29.9Very low28.2Very low166 Ų166156.9 Ų156.978%0.77683%0.834SS**  -172.4109123.1-112.2-166.9135.400110K300E298-K300 IonicContact OE1-NZ 2.75Å
299K25Very low28.1Very low198 Ų198155.3 Ų155.386%0.86184%0.84SS**  trans-55.1135.6151.8-78.6173.9168.9177.20109.4
300K32.2Very low28.1Very low191 Ų191149.2 Ų149.283%0.8384%0.835SS**  trans-159.5115.2130.9-104.6156-165.8162.50111.3E298E298-K300 IonicContact OE1-NZ 2.75Å
301E31.1Very low28.3Very low187 Ų187155.2 Ų155.287%0.87484%0.838SS**  trans-62.7163.9177.3-88.6175.4164.200114.6
302P31Very low28.8Very low121 Ų121156.9 Ų156.979%0.78684%0.839SS**  trans-81.7133.6-159.331.5-32.9000112.5E304P302-E304 PolarHBondContact O-N 3.25Å; P302-E304 VanDerWaalsContact O-N 3.13Å
303R31Very low29.3Very low243 Ų243155.1 Ų155.192%0.91783%0.827SS**  trans-74.4105.6176.3-149.7173.4-173.8173.81.8109.7K305R303-K305 PolarHBondContact O-N 3.43Å
304E30.4Very low29.8Very low148 Ų148160 Ų16069%0.69284%0.836SS**  trans-46.2119163.5-72.3-173.6150.500110.5P302 R306P302-E304 PolarHBondContact O-N 3.25Å; P302-E304 VanDerWaalsContact O-N 3.13Å; E304-R306 IonicContact OE2-NE 2.97Å; E304-R306 IonicContact OE2-NH2 3.3Å
305K35.7Very low30.3Very low205 Ų205162.7 Ų162.789%0.89184%0.835SS**  trans-105.697.1153.1-82.6-174.2177.51790107.4R303 C307R303-K305 PolarHBondContact O-N 3.43Å; K305-C307 PolarHBondContact O-N 3.44Å
306R30.9Very low30.7Very low216 Ų216164.3 Ų164.382%0.81584%0.836SS**  trans-53.7130.2171.3-70.5178.9-177-178.7-2.3110.3E304 S308E304-R306 IonicContact OE2-NE 2.97Å; E304-R306 IonicContact OE2-NH2 3.3Å; R306-S308 PolarHBondContact O-N 3.28Å
307C29Very low31.2Very low131 Ų131158.3 Ų158.389%0.88583%0.828SS**  trans-70.4106.3160-630000108.7K305K305-C307 PolarHBondContact O-N 3.44Å
308S32.4Very low31.9Very low118 Ų118154.9 Ų154.983%0.82582%0.819SS**  trans-80.8111.3156.754.10000107.5R306R306-S308 PolarHBondContact O-N 3.28Å
309G26Very low32.1Very low79 Ų79149.1 Ų149.181%0.81480%0.804SS**  trans-66.3166.3-179.300000114.2
310G24.8Very low32.5Very low73 Ų73146.7 Ų146.775%0.75381%0.809SS**  trans164.268.1171.700000114.5
311K28.2Very low33.1Very low203 Ų203141 Ų14188%0.88381%0.805SS**  trans60.7113.1152.7-66.5177.1177.8177.30118.9
312S33.5Very low33.3Very low110 Ų110138 Ų13877%0.76979%0.786SS**  trans47.794.8145.9620000117.4
313C32.3Very low33.8Very low110 Ų110141 Ų14174%0.74379%0.79SS**  trans-162.7123.7143.6-91.50000108.3L315C313-L315 HydrophobicContact CB-CD1 4.47Å; C313-L315 HydrophobicContact CB-CG 4.26Å; C313-L315 PolarHBondContact O-N 2.92Å
314D37.2Very low34.1Very low173 Ų173138.3 Ų138.393%0.92578%0.784SS**  trans-64.460.3177.2-66.7-62.7000113.3R316D314-R316 PolarHBondContact O-N 3.23Å
315L35.7Very low34.7Very low158 Ų158133.1 Ų133.183%0.82777%0.765SS**  trans-82.185.2177.3-68.9172.1000109.7C313 G317C313-L315 HydrophobicContact CB-CD1 4.47Å; C313-L315 HydrophobicContact CB-CG 4.26Å; C313-L315 PolarHBondContact O-N 2.92Å; L315-G317 PolarHBondContact O-N 3.32Å
316R37.7Very low35Very low239 Ų239130.2 Ų130.290%0.90275%0.749SS**  trans-65.488.8157.2-69.9-176.4-166.7-168.82.4108D314 V318D314-R316 PolarHBondContact O-N 3.23Å; R316-V318 PolarHBondContact O-N 3.27Å; R316-V318 VanDerWaalsContact O-N 3.12Å
317G35.9Very low35.2Very low76 Ų76125.9 Ų125.978%0.78474%0.741SS**  trans-56114.1171.200000110.2L315L315-G317 PolarHBondContact O-N 3.32Å
318V39.7Very low36Very low108 Ų108121.7 Ų121.766%0.65571%0.71SS**  trans-79.5137.1170.4-177.10000107.7R316R316-V318 PolarHBondContact O-N 3.27Å; R316-V318 VanDerWaalsContact O-N 3.12Å
319G33.8Very low36.6Very low45 Ų45127.8 Ų127.846%0.46472%0.717SS.*  trans-56.4176.2-160.900000118.9G321G319-G321 PolarHBondContact O-N 2.96Å
320P34.8Very low38.2Very low147 Ų147130.8 Ų130.896%0.95571%0.714SS**THydrogen-bonded Turntrans-62.7121.5-169.626.8-33.5000110.6
321G43.3Very low39.3Very low72 Ų72129.9 Ų129.974%0.74271%0.705SS**THydrogen-bonded Turntrans143.3-10.6-179.600000114.8G319G319-G321 PolarHBondContact O-N 2.96Å
322Y36Very low40.1Very low124 Ų124126.3 Ų126.349%0.48669%0.691SS.*  trans-117.1106.5173.9-62-85.1000109.9K324Y322-K324 PolarHBondContact O-N 2.75Å; Y322-K324 VanDerWaalsContact O-N 3.08Å
323E41Very low40.4Very low184 Ų184127.2 Ų127.286%0.8668%0.681SS**SBendtrans-74.799.2165.9-155.6174.1-166.500107.1
324K38.8Very low41Very low185 Ų185128.1 Ų128.180%0.80467%0.673SS**SBendtrans60.375.8174.1-57.6174.4-178175.40114.9Y322Y322-K324 PolarHBondContact O-N 2.75Å; Y322-K324 VanDerWaalsContact O-N 3.08Å
325S42.6Very low41.5Very low39 Ų39120.9 Ų120.927%0.27364%0.639SS.*  trans-109118.4157.760.20000109.5
326Y41.4Very low41.7Very low145 Ų145116.8 Ų116.857%0.56964%0.635SS**  trans-104.1148.7169.352.3-88000109.8D328Y326-D328 VanDerWaalsContact CD2-OD1 3.29Å; Y326-D328 WeakPolarHBondContact CD2-OD1 3.4Å; Y326-D328 WeakPolarHBondContact CE2-OD1 3.43Å
327L34.5Very low41.6Very low124 Ų124110 Ų11065%0.64963%0.63SS**BIsolated β-bridgetrans-91.2120.2169.6-85.4155.1000107.2
328D47Very low41.9Very low44 Ų44116.1 Ų116.124%0.23563%0.63CS.*  trans-67.8153.7170.1-70.9-19000109.6Y326 D330 G331 K334Y326-D328 VanDerWaalsContact CD2-OD1 3.29Å; Y326-D328 WeakPolarHBondContact CD2-OD1 3.4Å; Y326-D328 WeakPolarHBondContact CE2-OD1 3.43Å; D328-D330 PolarHBondContact O-N 3.43Å; D328-G331 PolarHBondContact O-N 2.94Å; D328-K334 WeakPolarHBondContact OD2-CD 3.42Å; D328-K334 WeakPolarHBondContact OD2-CE 3.45Å; D328-K334 IonicContact OD2-NZ 3.93Å; D328-K334 PolarHBondContact OD2-NZ 3.19Å
329Y44.4Very low41.7Very low246 Ų246120.4 Ų120.497%0.96564%0.639SS**THydrogen-bonded Turntrans-55.2-24.4-178.8-76.8-83.4000114G331Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.48Å
330D58.6Low41.8Very low141 Ų141126.8 Ų126.875%0.75465%0.654SS**THydrogen-bonded Turntrans-83.24.2175.7-61-40.3000113.8D328 H332D328-D330 PolarHBondContact O-N 3.43Å; D330-H332 VanDerWaalsContact C-N 3.32Å; D330-H332 PolarHBondContact O-N 3.44Å
331G47.8Very low41.6Very low54 Ų54127.1 Ų127.156%0.55765%0.648SS**  trans74.218.6177.700000114.4D328 Y329D328-G331 PolarHBondContact O-N 2.94Å; Y329-G331 VanDerWaalsContact C-N 3.26Å; Y329-G331 PolarHBondContact O-N 3.48Å
332H45.6Very low41.1Very low129 Ų129127.5 Ų127.560%0.59764%0.637SS**  trans-88.6122.4175.8-70.2-11.4000111.2D330 K334D330-H332 VanDerWaalsContact C-N 3.32Å; D330-H332 PolarHBondContact O-N 3.44Å; H332-K334 PolarHBondContact O-N 3.42Å
333F39.6Very low41.4Very low128 Ų128129.4 Ų129.456%0.56165%0.654SS**BIsolated β-bridgetrans-75.4106176.9-177.3-95.5000110
334K45.8Very low40.9Very low130 Ų130130 Ų13057%0.56565%0.65SS**  trans-105.965.2168.3-69.7-176-173.2143.30110D328 H332D328-K334 WeakPolarHBondContact OD2-CD 3.42Å; D328-K334 WeakPolarHBondContact OD2-CE 3.45Å; D328-K334 IonicContact OD2-NZ 3.93Å; D328-K334 PolarHBondContact OD2-NZ 3.19Å; H332-K334 PolarHBondContact O-N 3.42Å
335G46.8Very low40.6Very low21 Ų21130.5 Ų130.522%0.21665%0.652CS.*  trans-104.9123174.400000110.9
336G40.5Very low40Very low72 Ų72138.3 Ų138.374%0.74268%0.681SS**  trans-53.9153.9-17700000114.5R338G336-R338 PolarHBondContact O-N 2.84Å
337A36.7Very low39.5Very low97 Ų97140.1 Ų140.180%0.80269%0.694SS**  trans-45132-173.200000113.7K339A337-K339 PolarHBondContact O-N 3.04Å
338R40.6Very low39.4Very low204 Ų204139.5 Ų139.577%0.7770%0.7SS**  trans-49.5107.9171.3-84178.7162.8-171.9-4.8109.9G336 F340G336-R338 PolarHBondContact O-N 2.84Å; R338-F340 PolarHBondContact O-N 2.8Å
339K36.8Very low38.6Very low197 Ų197142 Ų14286%0.85772%0.721SS**  trans-76.4110.3158.6-70.2-176.2-179.4176.70106.6A337 L341A337-K339 PolarHBondContact O-N 3.04Å; K339-L341 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact O-N 3.16Å
340F35.3Very low38.2Very low179 Ų179134.3 Ų134.379%0.78571%0.709SS**  trans-61.1115.7166.9-79.8-93.4000107.3R338R338-F340 PolarHBondContact O-N 2.8Å
341L31.3Very low36.8Very low155 Ų155135.6 Ų135.681%0.81271%0.71SS**  trans-64.4125.5165.5-76.2166.2000107.1K339 I343K339-L341 PolarHBondContact O-N 2.97Å; K339-L341 VanDerWaalsContact O-N 3.16Å; L341-I343 PolarHBondContact O-N 2.83Å
342P32.7Very low36.3Very low80 Ų80141.9 Ų141.952%0.51972%0.722SS.*  trans-58.8124.7179.620.7-29.6000109.5Y344P342-Y344 VanDerWaalsContact C-N 3.31Å; P342-Y344 HydrophobicContact CB-CE2 4.4Å; P342-Y344 HydrophobicContact CG-CE2 3.82Å; P342-Y344 WeakPolarHBondContact O-CD2 3.18Å; P342-Y344 PolarHBondContact O-N 2.87Å
343I42.1Very low35.5Very low163 Ų163143.8 Ų143.884%0.83673%0.731SS**  trans-71.793.9170-57.8171.7000105.8L341 K345L341-I343 PolarHBondContact O-N 2.83Å; I343-K345 PolarHBondContact O-N 3.11Å; I343-K345 VanDerWaalsContact O-N 3.07Å
344Y30.4Very low35.6Very low198 Ų198143.2 Ų143.278%0.77674%0.738SS**  trans-63.9109.5167.9-63.3-82.6000107.7P342 K346P342-Y344 VanDerWaalsContact C-N 3.31Å; P342-Y344 HydrophobicContact CB-CE2 4.4Å; P342-Y344 HydrophobicContact CG-CE2 3.82Å; P342-Y344 WeakPolarHBondContact O-CD2 3.18Å; P342-Y344 PolarHBondContact O-N 2.87Å; Y344-K346 PolarHBondContact O-N 2.85Å
345K32.2Very low35.2Very low194 Ų194141.7 Ų141.784%0.84374%0.74SS**  trans-62.5108158.9-80.7-175.7175.9-177.70106I343 Q347I343-K345 PolarHBondContact O-N 3.11Å; I343-K345 VanDerWaalsContact O-N 3.07Å; K345-Q347 VanDerWaalsContact C-N 3.33Å; K345-Q347 PolarHBondContact O-N 3.43Å
346K30.4Very low35.2Very low203 Ų203147.8 Ų147.888%0.88377%0.765SS**  trans-58.1102.9162.7-88.9-176.6173.6-178.80106.5Y344 S348Y344-K346 PolarHBondContact O-N 2.85Å; K346-S348 VanDerWaalsContact C-N 3.34Å; K346-S348 PolarHBondContact O-N 3Å; K346-S348 VanDerWaalsContact O-N 3.09Å
347Q30Very low35.1Very low183 Ų183153.1 Ų153.186%0.85577%0.768SS**  trans-66.2103.9158-77.2-177.9-23.900105.3K345 S349K345-Q347 VanDerWaalsContact C-N 3.33Å; K345-Q347 PolarHBondContact O-N 3.43Å; Q347-S349 PolarHBondContact O-N 2.88Å
348S33.5Very low34.8Very low111 Ų111152.2 Ų152.278%0.77677%0.768SS**  trans-66.292.616450.90000107.1K346 A350K346-S348 VanDerWaalsContact C-N 3.34Å; K346-S348 PolarHBondContact O-N 3Å; K346-S348 VanDerWaalsContact O-N 3.09Å; S348-A350 PolarHBondContact O-N 3.08Å
349S30.7Very low34.7Very low97 Ų97146 Ų14668%0.67877%0.767SS**  trans-66.983.3157.450.80000107.2Q347 E351Q347-S349 PolarHBondContact O-N 2.88Å; S349-E351 PolarHBondContact O-N 3.34Å
350A35Very low34.9Very low84 Ų84139.3 Ų139.369%0.69475%0.749SS**  trans-78.176.5159.100000106.7S348 K352S348-A350 PolarHBondContact O-N 3.08Å; A350-K352 PolarHBondContact O-N 3.44Å
351E30.1Very low35.8Very low169 Ų169135 Ų13579%0.7975%0.746SS**  trans-57.892.3156.1-72.4174.1163.100106.7S349 E353S349-E351 PolarHBondContact O-N 3.34Å; E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.08Å
352K36.2Very low36.6Very low186 Ų186131.5 Ų131.581%0.80973%0.733SS**  trans-8586.5154.7-78.7-176.9178.5176.30105.9A350 V354A350-K352 PolarHBondContact O-N 3.44Å; K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 3.35Å
353E30.1Very low37.8Very low168 Ų168130.4 Ų130.479%0.78573%0.726SS**  trans-54.599.7153-86.6-171.3143.900107.5E351 V355E351-E353 VanDerWaalsContact C-N 3.27Å; E351-E353 PolarHBondContact O-N 3.08Å; E353-V355 VanDerWaalsContact C-N 3.25Å; E353-V355 HydrophobicContact CB-CG2 4.22Å; E353-V355 PolarHBondContact O-N 3.11Å
354V40.1Very low38.7Very low117 Ų117128.9 Ų128.971%0.70973%0.728SS**  trans-82.386.8158.8-174.50000105.6K352 I356K352-V354 VanDerWaalsContact C-N 3.28Å; K352-V354 PolarHBondContact O-N 3.35Å; V354-I356 VanDerWaalsContact C-N 3.26Å; V354-I356 HydrophobicContact CG1-CD1 4.36Å; V354-I356 HydrophobicContact CG1-CG1 3.72Å; V354-I356 PolarHBondContact O-N 3.16Å
355V37.9Very low40.5Very low98 Ų98129.1 Ų129.159%0.59473%0.733SS**  trans-6890.6165.1-178.60000107.1E353 K357E353-V355 VanDerWaalsContact C-N 3.25Å; E353-V355 HydrophobicContact CB-CG2 4.22Å; E353-V355 PolarHBondContact O-N 3.11Å; V355-K357 VanDerWaalsContact C-N 3.34Å; V355-K357 HydrophobicContact CG1-CG 4.08Å; V355-K357 PolarHBondContact O-N 3.15Å; V355-K357 VanDerWaalsContact O-N 3.11Å
356I45.9Very low42.6Very low148 Ų148123.2 Ų123.276%0.75972%0.715SS**  trans-75.496.5162.6-54.5-176.9000105.8V354 G358V354-I356 VanDerWaalsContact C-N 3.26Å; V354-I356 HydrophobicContact CG1-CD1 4.36Å; V354-I356 HydrophobicContact CG1-CG1 3.72Å; V354-I356 PolarHBondContact O-N 3.16Å; I356-G358 PolarHBondContact O-N 3.29Å; I356-G358 VanDerWaalsContact O-N 3.16Å
357K39.2Very low43.8Very low185 Ų185116.5 Ų116.580%0.80470%0.703SS**  trans-58.6117.1164.5-70.7-175.9177.71790107.5V355 G359V355-K357 VanDerWaalsContact C-N 3.34Å; V355-K357 HydrophobicContact CG1-CG 4.08Å; V355-K357 PolarHBondContact O-N 3.15Å; V355-K357 VanDerWaalsContact O-N 3.11Å; K357-G359 PolarHBondContact O-N 3.2Å
358G31.2Very low44.9Very low77 Ų77115 Ų11579%0.79469%0.694SS**  trans-57.4122.1170.500000110.6I356I356-G358 PolarHBondContact O-N 3.29Å; I356-G358 VanDerWaalsContact O-N 3.16Å
359G36.8Very low46.2Very low73 Ų73114.4 Ų114.475%0.75369%0.685SS**  trans-105.6102.7151.100000106.5K357 A361K357-G359 PolarHBondContact O-N 3.2Å; G359-A361 PolarHBondContact O-N 3.03Å; G359-A361 VanDerWaalsContact O-N 3.16Å
360A42.7Very low47.4Very low58 Ų58119.7 Ų119.748%0.47970%0.699SS.*  trans-64114172.800000108.6V369A360-V369 HydrophobicContact CB-CG1 3.4Å; A360-V369 VanDerWaalsContact CB-CG1 3.4Å
361A53.6Low48Very low88 Ų88121.5 Ų121.573%0.72770%0.699SS**PPolyproline II helixtrans-70.5132.4173.100000109G359G359-A361 PolarHBondContact O-N 3.03Å; G359-A361 VanDerWaalsContact O-N 3.16Å
362P47.9Very low48.9Very low81 Ų81119 Ų11953%0.52669%0.694SS.*PPolyproline II helixtrans-65.3138.8179.825.7-32.7000110.8
363C58.7Low49.6Very low57 Ų57115.3 Ų115.339%0.38569%0.688SS.*PPolyproline II helixtrans-69.7124.8178.3-166.70000109.8K365 C366 G367C363-K365 PolarHBondContact O-N 2.86Å; C363-C366 PolarHBondContact O-N 3.03Å; C363-G367 PolarHBondContact O-N 3.16Å
364P61.2Low50.8Low132 Ų132112.2 Ų112.286%0.85768%0.682SS**THydrogen-bonded Turntrans-65.9-9.1-170.323.8-33.7000114.5
365K67.9Low51.5Low203 Ų203111.9 Ų111.988%0.88368%0.681SS**THydrogen-bonded Turntrans-95.4-20.9179-67.6-175.1178.5179.40114.4C363C363-K365 PolarHBondContact O-N 2.86Å
366C74.6Confident52.4Low70 Ų70112.8 Ų112.847%0.47369%0.686SS.*THydrogen-bonded Turntrans-137-5.1-17459.60000114.9C363 K368C363-C366 PolarHBondContact O-N 3.03Å; C366-K368 PolarHBondContact O-N 2.84Å
367G55.8Low52.8Low62 Ų62110.3 Ų110.364%0.63968%0.681SS**  trans645.3172.500000115.6C363C363-G367 PolarHBondContact O-N 3.16Å
368K54.1Low53.9Low152 Ų152104.5 Ų104.566%0.66167%0.672SS**  trans-97.1139.5176.8-71.1-178.1-179.3-179.10110.5C366C366-K368 PolarHBondContact O-N 2.84Å
369V61.2Low55.8Low98 Ų98106.8 Ų106.859%0.59466%0.662SS**  trans-83119.5172.7-173.40000106.6A360A360-V369 HydrophobicContact CB-CG1 3.4Å; A360-V369 VanDerWaalsContact CB-CG1 3.4Å
370H54.7Low57.5Low208 Ų208109.9 Ų109.996%0.96365%0.653SS**  trans-92.90-179.6-81.4-72.4000112

Retrieved 370 of 370 residues in 180.5 ms (Link to these results)