A0A3Q0KS34_SCHMA Loading...

Putative translation elongation factor G

AlphaFold DB , UniProt , Accession A0A3Q0KS34, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M36.8Very low43.7Very low243 Ų243123.9 Ų123.9100%1.19766%0.661SS**  0107.60-74.8-174.6165.200107.1G3M1-G3 PolarHBondContact O-N 3.46Å
2F41.3Very low44Very low217 Ų217122.8 Ų122.895%0.95265%0.654SS**  trans-70.7112.3178.6-71.1-85.4000107.5N4F2-N4 PolarHBondContact O-N 3.46Å
3G37.7Very low44.6Very low60 Ų60123.2 Ų123.262%0.61966%0.656SS**  trans-59127.5174.200000109M1M1-G3 PolarHBondContact O-N 3.46Å
4N39.9Very low45.1Very low103 Ų103119.3 Ų119.355%0.55164%0.635SS**  trans-57.7132.4-180-121.3-1.4000109.1F2 E6 V7F2-N4 PolarHBondContact O-N 3.46Å; N4-E6 PolarHBondContact O-N 3.18Å; N4-E6 VanDerWaalsContact O-N 3.11Å; N4-V7 HydrophobicContact CB-CG2 4.08Å; N4-V7 WeakPolarHBondContact O-CB 3.01Å; N4-V7 PolarHBondContact O-N 3.25Å
5P44.1Very low45.8Very low96 Ų96118.3 Ų118.362%0.62364%0.635SS**Hα-helixtrans-60-24.2-178.121.6-31.4000113.2V7 I8 M9P5-V7 VanDerWaalsContact C-N 3.28Å; P5-V7 PolarHBondContact O-N 3.44Å; P5-I8 PolarHBondContact O-N 3.37Å; P5-M9 PolarHBondContact O-N 2.7Å; P5-M9 VanDerWaalsContact O-N 3.1Å
6E45.4Very low46.4Very low145 Ų145118.1 Ų118.168%0.67863%0.634SS**Hα-helixtrans-62.7-32.1171.8-72.9-178.3160.200113.2N4 M9 N10N4-E6 PolarHBondContact O-N 3.18Å; N4-E6 VanDerWaalsContact O-N 3.11Å; E6-M9 PolarHBondContact O-N 3.15Å; E6-N10 PolarHBondContact O-N 3.3Å; E6-N10 VanDerWaalsContact O-N 3.08Å
7V50.1Low46.8Very low83 Ų83117.5 Ų117.550%0.50362%0.622SS.*Hα-helixtrans-69-40.7177.4-1760000110.3N4 P5 M9 N10 D11N4-V7 HydrophobicContact CB-CG2 4.08Å; N4-V7 WeakPolarHBondContact O-CB 3.01Å; N4-V7 PolarHBondContact O-N 3.25Å; P5-V7 VanDerWaalsContact C-N 3.28Å; P5-V7 PolarHBondContact O-N 3.44Å; V7-M9 VanDerWaalsContact C-N 3.34Å; V7-M9 PolarHBondContact O-N 3.27Å; V7-N10 PolarHBondContact O-N 3.09Å; V7-D11 PolarHBondContact O-N 3.22Å
8I46.9Very low46.6Very low96 Ų96115.3 Ų115.349%0.49261%0.61SS.*Hα-helixtrans-68.1-36.9179.2-54.8175.9000110.7P5 N10 D11 L12P5-I8 PolarHBondContact O-N 3.37Å; I8-N10 VanDerWaalsContact C-N 3.33Å; I8-D11 PolarHBondContact O-N 2.98Å; I8-L12 PolarHBondContact O-N 3.34Å
9M41.4Very low46.8Very low141 Ų141111.6 Ų111.670%0.69559%0.594SS**Hα-helixtrans-66.4-36.6175.2-119.8-171.3178.400111.9P5 E6 V7 L12P5-M9 PolarHBondContact O-N 2.7Å; P5-M9 VanDerWaalsContact O-N 3.1Å; E6-M9 PolarHBondContact O-N 3.15Å; V7-M9 VanDerWaalsContact C-N 3.34Å; V7-M9 PolarHBondContact O-N 3.27Å; M9-L12 PolarHBondContact O-N 3.47Å
10N48.1Very low47.3Very low112 Ų112115.3 Ų115.360%0.59960%0.6SS**Hα-helixtrans-68.3-32.6174.3-81.4-8.2000112.8E6 V7 I8 L12 N13 N14E6-N10 PolarHBondContact O-N 3.3Å; E6-N10 VanDerWaalsContact O-N 3.08Å; V7-N10 PolarHBondContact O-N 3.09Å; I8-N10 VanDerWaalsContact C-N 3.33Å; N10-L12 VanDerWaalsContact C-N 3.34Å; N10-L12 PolarHBondContact O-N 2.97Å; N10-N13 CarbonylContact O-C 3.52Å; N10-N13 PolarHBondContact O-N 3.3Å; N10-N14 PolarHBondContact O-N 3.08Å
11D49Very low47.5Very low67 Ų67113.2 Ų113.236%0.35859%0.588SS.*Hα-helixtrans-67.5-31.6177.1-82.2-22.6000113.1V7 I8 N13 N14V7-D11 PolarHBondContact O-N 3.22Å; I8-D11 PolarHBondContact O-N 2.98Å; D11-N13 VanDerWaalsContact C-N 3.29Å; D11-N13 PolarHBondContact O-N 3.17Å; D11-N14 WeakPolarHBondContact O-CB 3.43Å; D11-N14 PolarHBondContact O-N 3.3Å
12L47.2Very low48.1Very low110 Ų110106.8 Ų106.858%0.57656%0.559SS**Hα-helixtrans-69.3-28.3173.5-83.8155.5000112.8I8 M9 N10 N14I8-L12 PolarHBondContact O-N 3.34Å; M9-L12 PolarHBondContact O-N 3.47Å; N10-L12 VanDerWaalsContact C-N 3.34Å; N10-L12 PolarHBondContact O-N 2.97Å; L12-N14 VanDerWaalsContact C-N 3.34Å
13N51.6Low48.5Very low128 Ų128101.2 Ų101.268%0.68454%0.539SS*.Hα-helixtrans-86.8-8.1173.4-68.8-20.3000112.6N10 D11 V15N10-N13 CarbonylContact O-C 3.52Å; N10-N13 PolarHBondContact O-N 3.3Å; D11-N13 VanDerWaalsContact C-N 3.29Å; D11-N13 PolarHBondContact O-N 3.17Å; N13-V15 PolarHBondContact O-N 2.98Å; N13-V15 VanDerWaalsContact O-N 3.17Å
14N51.8Low49Very low69 Ų69104.2 Ų104.237%0.36954%0.541SS..  trans-80101.2-179.8-167.5-3.1000109.2N10 D11 L12 D16 Y17 L18N10-N14 PolarHBondContact O-N 3.08Å; D11-N14 WeakPolarHBondContact O-CB 3.43Å; D11-N14 PolarHBondContact O-N 3.3Å; L12-N14 VanDerWaalsContact C-N 3.34Å; N14-D16 PolarHBondContact O-N 3.45Å; N14-D16 VanDerWaalsContact O-N 3.12Å; N14-D16 PolarHBondContact OD1-N 3.09Å; N14-Y17 WeakPolarHBondContact O-CB 3.42Å; N14-Y17 PolarHBondContact O-N 3.5Å; N14-L18 PolarHBondContact O-N 3.19Å
15V55.6Low49.1Very low105 Ų105108.7 Ų108.764%0.63655%0.55SS*.Hα-helixtrans-51.5-36.8-179.9178.70000111.1N13 Y17 L18 S19N13-V15 PolarHBondContact O-N 2.98Å; N13-V15 VanDerWaalsContact O-N 3.17Å; V15-Y17 VanDerWaalsContact C-N 3.31Å; V15-Y17 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 2.97Å; V15-S19 PolarHBondContact O-N 3.36Å; V15-S19 PolarHBondContact O-OG 3.01Å
16D54.9Low48.8Very low114 Ų114107.4 Ų107.461%0.6154%0.543SS*.Hα-helixtrans-64.5-32.7178.6-71.3-21.1000113.5N14 R20N14-D16 PolarHBondContact O-N 3.45Å; N14-D16 VanDerWaalsContact O-N 3.12Å; N14-D16 PolarHBondContact OD1-N 3.09Å; D16-R20 PolarHBondContact O-N 3.26Å; D16-R20 VanDerWaalsContact O-N 3.11Å
17Y53.9Low48.4Very low109 Ų109106.6 Ų106.643%0.42755%0.548SS..Hα-helixtrans-70.9-42.9177.5178.2-104000111.1N14 V15 R20 I21N14-Y17 WeakPolarHBondContact O-CB 3.42Å; N14-Y17 PolarHBondContact O-N 3.5Å; V15-Y17 VanDerWaalsContact C-N 3.31Å; V15-Y17 PolarHBondContact O-N 3.2Å; Y17-R20 PolarHBondContact O-N 3.39Å; Y17-I21 HydrophobicContact CD1-CD1 3.96Å; Y17-I21 HydrophobicContact CE1-CD1 3.4Å; Y17-I21 HydrophobicContact CE1-CG1 4.44Å; Y17-I21 HydrophobicContact CE2-CD1 4.45Å; Y17-I21 WeakPolarHBondContact O-CG1 3.4Å; Y17-I21 PolarHBondContact O-N 2.92Å
18L42.9Very low47.9Very low77 Ų77107.9 Ų107.940%0.40356%0.561SS.*Hα-helixtrans-64.9-40.5174.9-63.6-178.3000111.5N14 V15 R20 I21 L22N14-L18 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 2.97Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.46Å; L18-I21 PolarHBondContact O-N 3.16Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.41Å
19S51.6Low47.4Very low46 Ų46108.1 Ų108.132%0.32257%0.57SS.*Hα-helixtrans-57.4-45.8174.6-58.20000111.5V15 I21 L22 D23V15-S19 PolarHBondContact O-N 3.36Å; V15-S19 PolarHBondContact O-OG 3.01Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 3.3Å; S19-L22 PolarHBondContact O-N 3.46Å; S19-D23 WeakPolarHBondContact O-CB 3Å; S19-D23 VanDerWaalsContact O-CG 3.23Å; S19-D23 PolarHBondContact O-N 2.8Å
20R55.9Low46.9Very low185 Ų185104.3 Ų104.370%0.69857%0.567SS**Hα-helixtrans-62.8-37.2176.3-80.6-176-179.3-177.42.5113.7D16 Y17 L18 N24D16-R20 PolarHBondContact O-N 3.26Å; D16-R20 VanDerWaalsContact O-N 3.11Å; Y17-R20 PolarHBondContact O-N 3.39Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 3.46Å; R20-N24 WeakPolarHBondContact O-CB 3.46Å; R20-N24 PolarHBondContact O-N 2.94Å; R20-N24 PolarHBondContact O-ND2 2.93Å; R20-N24 VanDerWaalsContact O-ND2 3.11Å
21I50.9Low46.1Very low71 Ų71106.4 Ų106.436%0.36458%0.578SS.*Hα-helixtrans-65.6-44.3176.8-68.9173.2000109.9Y17 L18 S19 W25Y17-I21 HydrophobicContact CD1-CD1 3.96Å; Y17-I21 HydrophobicContact CE1-CD1 3.4Å; Y17-I21 HydrophobicContact CE1-CG1 4.44Å; Y17-I21 HydrophobicContact CE2-CD1 4.45Å; Y17-I21 WeakPolarHBondContact O-CG1 3.4Å; Y17-I21 PolarHBondContact O-N 2.92Å; L18-I21 PolarHBondContact O-N 3.16Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 3.3Å; I21-W25 PolarHBondContact O-N 2.88Å
22L50.3Low45.4Very low109 Ų109111.5 Ų111.557%0.57161%0.605SS**Hα-helixtrans-66.3-45.7178.5-71.3169.6000111.4L18 S19 N24 W25 S26L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.41Å; S19-L22 PolarHBondContact O-N 3.46Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.38Å; L22-W25 CarbonylContact O-C 3.58Å; L22-W25 WeakPolarHBondContact O-CA 3.38Å; L22-W25 WeakPolarHBondContact O-CB 3.42Å; L22-W25 PolarHBondContact O-N 2.89Å; L22-S26 PolarHBondContact O-N 3.02Å; L22-S26 PolarHBondContact O-OG 3.28Å
23D49.1Very low44.5Very low100 Ų100112.6 Ų112.654%0.53562%0.621SS.*Hα-helixtrans-59.8-41.5177.8-71.7-21.9000111.7S19 W25 S26 V27S19-D23 WeakPolarHBondContact O-CB 3Å; S19-D23 VanDerWaalsContact O-CG 3.23Å; S19-D23 PolarHBondContact O-N 2.8Å; D23-W25 PolarHBondContact O-N 3.11Å; D23-S26 PolarHBondContact O-N 3.17Å; D23-V27 WeakPolarHBondContact O-CG2 3.47Å; D23-V27 PolarHBondContact O-N 3.14Å
24N48.3Very low43.7Very low123 Ų123112.3 Ų112.366%0.65863%0.625SS**Hα-helixtrans-66.9-24176.1-73.8-26.2000113.1R20 L22R20-N24 WeakPolarHBondContact O-CB 3.46Å; R20-N24 PolarHBondContact O-N 2.94Å; R20-N24 PolarHBondContact O-ND2 2.93Å; R20-N24 VanDerWaalsContact O-ND2 3.11Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.38Å
25W42.2Very low42.7Very low197 Ų197114.2 Ų114.275%0.74664%0.644SS**Hα-helixtrans-82-34.3171.7-87.726.6000112.3I21 L22 D23 V27 S28I21-W25 PolarHBondContact O-N 2.88Å; L22-W25 CarbonylContact O-C 3.58Å; L22-W25 WeakPolarHBondContact O-CA 3.38Å; L22-W25 WeakPolarHBondContact O-CB 3.42Å; L22-W25 PolarHBondContact O-N 2.89Å; D23-W25 PolarHBondContact O-N 3.11Å; W25-V27 PolarHBondContact O-N 3.22Å; W25-S28 PolarHBondContact O-N 2.68Å
26S37.5Very low41.7Very low69 Ų69118.3 Ų118.348%0.48365%0.653SS.*Hα-helixtrans-64.9-22.9177.9-55.60000113.4L22 D23 S28 S29L22-S26 PolarHBondContact O-N 3.02Å; L22-S26 PolarHBondContact O-OG 3.28Å; D23-S26 PolarHBondContact O-N 3.17Å; S26-S28 PolarHBondContact O-N 3.11Å; S26-S28 VanDerWaalsContact O-N 3.1Å; S26-S29 PolarHBondContact O-N 3.46Å; S26-S29 PolarHBondContact O-OG 2.65Å
27V37.6Very low40.9Very low127 Ų127119.7 Ų119.777%0.7766%0.661SS**THydrogen-bonded Turntrans-65.6-12.7177.71790000112.9D23 W25D23-V27 WeakPolarHBondContact O-CG2 3.47Å; D23-V27 PolarHBondContact O-N 3.14Å; W25-V27 PolarHBondContact O-N 3.22Å
28S39.5Very low40.3Very low111 Ų111121.2 Ų121.278%0.77668%0.676SS**THydrogen-bonded Turntrans-94.3-5.5177.8-167.20000115.5W25 S26 G30W25-S28 PolarHBondContact O-N 2.68Å; S26-S28 PolarHBondContact O-N 3.11Å; S26-S28 VanDerWaalsContact O-N 3.1Å; S28-G30 PolarHBondContact O-N 2.83Å
29S36.8Very low40.2Very low100 Ų100121.8 Ų121.870%0.69970%0.701SS**  trans-92.579.5174.365.80000110.4S26 N31S26-S29 PolarHBondContact O-N 3.46Å; S26-S29 PolarHBondContact O-OG 2.65Å; S29-N31 PolarHBondContact O-N 3.11Å
30G30.4Very low39.7Very low61 Ų61123.9 Ų123.963%0.62972%0.716SS**  trans-61.9131168.700000111.6S28S28-G30 PolarHBondContact O-N 2.83Å
31N32.2Very low39Very low156 Ų156120.3 Ų120.383%0.83471%0.71SS**  trans61.777.6149.7-58.1-14.6000118.1S29S29-N31 PolarHBondContact O-N 3.11Å
32L33.3Very low38.8Very low174 Ų174121.5 Ų121.591%0.91172%0.721SS**  trans-120.5100134.1-9795.7000107.8P34L32-P34 VanDerWaalsContact O-CD 3.27Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å
33C28.4Very low38.2Very low134 Ų134122.6 Ų122.691%0.90573%0.727SS**  trans-83.3109.4166.9-125.20000107.1
34P34.4Very low37.6Very low121 Ų121127 Ų12779%0.78674%0.736SS**  trans-78.2130162.6-0.220.7000107.4L32L32-P34 VanDerWaalsContact O-CD 3.27Å; L32-P34 WeakPolarHBondContact O-CD 3.3Å
35S32.2Very low37.3Very low109 Ų109126.9 Ų126.976%0.76273%0.731SS**  trans-45.4135.2174.1176.20000112.5N37S35-N37 PolarHBondContact O-N 2.75Å
36K33.6Very low37.4Very low191 Ų191122.7 Ų122.783%0.8372%0.723SS**  trans-33.5127.5158.8-65.6168.1173.7176.70111.1
37N38.4Very low37.4Very low144 Ų144123.1 Ų123.177%0.7772%0.724SS**  trans-157.8108.2149.3-92.8-15.8000109.5S35S35-N37 PolarHBondContact O-N 2.75Å
38D41.1Very low37.3Very low140 Ų140125.1 Ų125.175%0.74972%0.719SS**  trans4496.2137.6-61.8-14.7000119.6S40D38-S40 PolarHBondContact O-N 2.89Å; D38-S40 PolarHBondContact O-OG 3.41Å
39G40.4Very low37.4Very low89 Ų89124.8 Ų124.892%0.91871%0.714SS**SBend66.4-0.312100000119
40S42.3Very low37.7Very low91 Ų91123.8 Ų123.864%0.63670%0.704SS**  trans-132.152.3-17758.30000110.2D38 T42D38-S40 PolarHBondContact O-N 2.89Å; D38-S40 PolarHBondContact O-OG 3.41Å; S40-T42 PolarHBondContact O-N 2.87Å
41N40.9Very low38.2Very low109 Ų109124 Ų12458%0.58369%0.693SS**  trans-53.899.2165.2-679.2000106.2L43 I46N41-L43 PolarHBondContact O-N 3.35Å; N41-I46 HydrophobicContact CB-CD1 4.3Å; N41-I46 HydrophobicContact CB-CG1 4.32Å
42T45.4Very low38.4Very low96 Ų96123.3 Ų123.359%0.58969%0.689SS**  trans-63.6139.8-178.2-10.40000104.5S40 R44 E45S40-T42 PolarHBondContact O-N 2.87Å; T42-R44 CarbonylContact O-C 3.53Å; T42-R44 PolarHBondContact O-N 3.17Å; T42-E45 PolarHBondContact O-N 3.32Å
43L38.6Very low38.8Very low132 Ų132116.7 Ų116.769%0.69166%0.662SS**Hα-helixtrans-47.8-21.4179.1-76166.6000113.2N41 I46 C47N41-L43 PolarHBondContact O-N 3.35Å; L43-I46 HydrophobicContact CD2-CD1 4.49Å; L43-I46 PolarHBondContact O-N 3.34Å; L43-C47 WeakPolarHBondContact O-CB 3.45Å; L43-C47 PolarHBondContact O-N 2.84Å
44R35.9Very low39.8Very low193 Ų193113.8 Ų113.873%0.72864%0.638SS**Hα-helixtrans-55.7-46.9169.2-131.1178.9-124.7-114.71.5114.2T42 I46 Y48T42-R44 CarbonylContact O-C 3.53Å; T42-R44 PolarHBondContact O-N 3.17Å; R44-I46 VanDerWaalsContact C-N 3.35Å; R44-Y48 CarbonylContact O-C 3.27Å; R44-Y48 VanDerWaalsContact O-C 3.27Å; R44-Y48 WeakPolarHBondContact O-CA 3.45Å; R44-Y48 WeakPolarHBondContact O-CB 3.38Å; R44-Y48 PolarHBondContact O-N 2.62Å; R44-Y48 VanDerWaalsContact O-O 3.13Å
45E42.9Very low40.4Very low120 Ų120113.1 Ų113.156%0.56163%0.626SS**Hα-helixtrans-70.3-32.9176.9-71.4179.9161.800112T42T42-E45 PolarHBondContact O-N 3.32Å
46I43.8Very low41.2Very low110 Ų110111.4 Ų111.456%0.56461%0.611SS**Hα-helixtrans-73.2-43.5179.6-57.9175.9000111N41 L43 R44N41-I46 HydrophobicContact CB-CD1 4.3Å; N41-I46 HydrophobicContact CB-CG1 4.32Å; L43-I46 HydrophobicContact CD2-CD1 4.49Å; L43-I46 PolarHBondContact O-N 3.34Å; R44-I46 VanDerWaalsContact C-N 3.35Å
47C36.6Very low42Very low77 Ų77107.1 Ų107.152%0.5260%0.597SS.*Hα-helixtrans-92.9-25.1-174.8-680000113.8L43L43-C47 WeakPolarHBondContact O-CB 3.45Å; L43-C47 PolarHBondContact O-N 2.84Å
48Y36.4Very low42.8Very low170 Ų170104.9 Ų104.967%0.66759%0.585SS**  trans-139.669.6-175.9-55.3-80.2000109.9R44 V50R44-Y48 CarbonylContact O-C 3.27Å; R44-Y48 VanDerWaalsContact O-C 3.27Å; R44-Y48 WeakPolarHBondContact O-CA 3.45Å; R44-Y48 WeakPolarHBondContact O-CB 3.38Å; R44-Y48 PolarHBondContact O-N 2.62Å; R44-Y48 VanDerWaalsContact O-O 3.13Å; Y48-V50 PolarHBondContact O-N 3.47Å
49P41.5Very low43.3Very low103 Ų103101.6 Ų101.667%0.66957%0.57SS**SBendtrans-62.9-15.2-177.325.1-34.2000113.5
50V42.5Very low44Very low79 Ų79102.5 Ų102.548%0.47955%0.552SS.*SBendtrans-128.1112.8178.7-175.60000107.8Y48 D54 M55Y48-V50 PolarHBondContact O-N 3.47Å; V50-D54 HydrophobicContact CG1-CB 4.09Å; V50-M55 HydrophobicContact CG1-CB 4.12Å; V50-M55 HydrophobicContact CG1-CG 4.02Å
51T42.5Very low44.5Very low66 Ų66102.7 Ų102.741%0.40555%0.546SS..  trans-72.4154.3171.570.50000109.3G53 D54 M55T51-G53 PolarHBondContact O-N 3.15Å; T51-G53 PolarHBondContact OG1-N 3.34Å; T51-D54 WeakPolarHBondContact CB-OD2 3.3Å; T51-D54 PolarHBondContact N-OD2 2.98Å; T51-D54 VanDerWaalsContact N-OD2 3.15Å; T51-D54 PolarHBondContact O-N 2.94Å; T51-D54 PolarHBondContact OG1-N 3.45Å; T51-D54 PolarHBondContact OG1-OD2 3.49Å; T51-M55 PolarHBondContact O-N 3.22Å
52L36.2Very low45.2Very low141 Ų141100.5 Ų100.574%0.73854%0.536SS*.Hα-helixtrans-53.6-29.8173-160.481.5000111.4T56L52-T56 WeakPolarHBondContact O-CG2 3.37Å; L52-T56 PolarHBondContact O-N 3.49Å; L52-T56 PolarHBondContact O-OG1 3.11Å
53G41.3Very low45.4Very low35 Ų3598.2 Ų98.236%0.36152%0.522SS..Hα-helixtrans-68.2-38.4175.200000114.1T51 T56 N57T51-G53 PolarHBondContact O-N 3.15Å; T51-G53 PolarHBondContact OG1-N 3.34Å; G53-T56 VanDerWaalsContact CA-OG1 3.3Å; G53-T56 WeakPolarHBondContact CA-OG1 2.9Å; G53-T56 PolarHBondContact O-N 3.08Å; G53-T56 PolarHBondContact O-OG1 3.14Å; G53-N57 WeakPolarHBondContact O-CB 3.25Å; G53-N57 PolarHBondContact O-N 3.33Å
54D50.1Low46Very low73 Ų7395.9 Ų95.939%0.3951%0.51SS..Hα-helixtrans-70.7-41175.5-56.6-45.9000110.1V50 T51 T56 N57 D58V50-D54 HydrophobicContact CG1-CB 4.09Å; T51-D54 WeakPolarHBondContact CB-OD2 3.3Å; T51-D54 PolarHBondContact N-OD2 2.98Å; T51-D54 VanDerWaalsContact N-OD2 3.15Å; T51-D54 PolarHBondContact O-N 2.94Å; T51-D54 PolarHBondContact OG1-N 3.45Å; T51-D54 PolarHBondContact OG1-OD2 3.49Å; D54-T56 VanDerWaalsContact C-N 3.33Å; D54-T56 PolarHBondContact O-N 2.88Å; D54-N57 PolarHBondContact O-N 2.81Å; D54-N57 VanDerWaalsContact O-N 3.17Å; D54-D58 PolarHBondContact O-N 3Å
55M46.8Very low46.7Very low108 Ų10891.1 Ų91.153%0.53250%0.497SS..Hα-helixtrans-61.8-40.1173.8-126.3-175.578.100111.8V50 T51 T59V50-M55 HydrophobicContact CG1-CB 4.12Å; V50-M55 HydrophobicContact CG1-CG 4.02Å; T51-M55 PolarHBondContact O-N 3.22Å; M55-T59 VanDerWaalsContact O-CB 3.3Å; M55-T59 WeakPolarHBondContact O-CB 3.29Å; M55-T59 WeakPolarHBondContact O-CG2 3.37Å; M55-T59 PolarHBondContact O-N 2.87Å; M55-T59 PolarHBondContact O-OG1 2.67Å
56T47.9Very low46.6Very low73 Ų7387.9 Ų87.945%0.44848%0.483SS..Hα-helixtrans-68.5-35.8174.551.30000112L52 G53 D54 T59 M60L52-T56 WeakPolarHBondContact O-CG2 3.37Å; L52-T56 PolarHBondContact O-N 3.49Å; L52-T56 PolarHBondContact O-OG1 3.11Å; G53-T56 VanDerWaalsContact CA-OG1 3.3Å; G53-T56 WeakPolarHBondContact CA-OG1 2.9Å; G53-T56 PolarHBondContact O-N 3.08Å; G53-T56 PolarHBondContact O-OG1 3.14Å; D54-T56 VanDerWaalsContact C-N 3.33Å; D54-T56 PolarHBondContact O-N 2.88Å; T56-T59 VanDerWaalsContact CA-OG1 3.23Å; T56-T59 WeakPolarHBondContact CA-OG1 3.07Å; T56-T59 PolarHBondContact O-OG1 3.01Å; T56-M60 WeakPolarHBondContact O-CB 3.2Å; T56-M60 WeakPolarHBondContact O-CG 3.36Å; T56-M60 PolarHBondContact O-N 2.94Å
57N51.4Low46.4Very low100 Ų10085.8 Ų85.854%0.53547%0.473SS..Hα-helixtrans-67.7-43.4173.9-92.5-16.8000112.7G53 D54 M60 N61G53-N57 WeakPolarHBondContact O-CB 3.25Å; G53-N57 PolarHBondContact O-N 3.33Å; D54-N57 PolarHBondContact O-N 2.81Å; D54-N57 VanDerWaalsContact O-N 3.17Å; N57-M60 CarbonylContact O-C 3.56Å; N57-M60 PolarHBondContact O-N 3.47Å; N57-N61 WeakPolarHBondContact O-CB 3.45Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.35Å; N57-N61 PolarHBondContact O-ND2 3.03Å
58D53.5Low47Very low98 Ų9886.4 Ų86.452%0.52448%0.478SS..Hα-helixtrans-67.9-43178-76-18.7000111.3D54 M60 N61 V62D54-D58 PolarHBondContact O-N 3Å; D58-M60 VanDerWaalsContact C-N 3.31Å; D58-M60 PolarHBondContact O-N 3.17Å; D58-N61 PolarHBondContact O-N 2.94Å; D58-V62 WeakPolarHBondContact O-CB 3.25Å; D58-V62 VanDerWaalsContact O-CG2 3.31Å; D58-V62 WeakPolarHBondContact O-CG2 3.45Å; D58-V62 PolarHBondContact O-N 3.43Å
59T53.6Low47.7Very low71 Ų7184.4 Ų84.444%0.43647%0.473SS..Hα-helixtrans-62.5-39.8172.152.20000111.1M55 T56 V62 V63M55-T59 VanDerWaalsContact O-CB 3.3Å; M55-T59 WeakPolarHBondContact O-CB 3.29Å; M55-T59 WeakPolarHBondContact O-CG2 3.37Å; M55-T59 PolarHBondContact O-N 2.87Å; M55-T59 PolarHBondContact O-OG1 2.67Å; T56-T59 VanDerWaalsContact CA-OG1 3.23Å; T56-T59 WeakPolarHBondContact CA-OG1 3.07Å; T56-T59 PolarHBondContact O-OG1 3.01Å; T59-V62 PolarHBondContact O-N 3.36Å; T59-V63 WeakPolarHBondContact O-CB 3.34Å; T59-V63 WeakPolarHBondContact O-CG2 3.45Å; T59-V63 PolarHBondContact O-N 2.95Å
60M53.7Low47.6Very low107 Ų10789.2 Ų89.253%0.52748%0.477SS..Hα-helixtrans-68.7-31.1174.3-74.6-69.6-95.800112.8T56 N57 D58 N64T56-M60 WeakPolarHBondContact O-CB 3.2Å; T56-M60 WeakPolarHBondContact O-CG 3.36Å; T56-M60 PolarHBondContact O-N 2.94Å; N57-M60 CarbonylContact O-C 3.56Å; N57-M60 PolarHBondContact O-N 3.47Å; D58-M60 VanDerWaalsContact C-N 3.31Å; D58-M60 PolarHBondContact O-N 3.17Å; M60-N64 WeakPolarHBondContact O-CA 3.23Å; M60-N64 WeakPolarHBondContact O-CB 3.37Å; M60-N64 PolarHBondContact O-N 3.09Å; M60-N64 PolarHBondContact O-ND2 3.32Å
61N53.7Low47.4Very low96 Ų9690.9 Ų90.951%0.51348%0.478SS..Hα-helixtrans-71.7-42.4173.9-79.4-25.1000111.1N57 D58 N64 M65N57-N61 WeakPolarHBondContact O-CB 3.45Å; N57-N61 VanDerWaalsContact O-CG 3.27Å; N57-N61 PolarHBondContact O-N 3.35Å; N57-N61 PolarHBondContact O-ND2 3.03Å; D58-N61 PolarHBondContact O-N 2.94Å; N61-N64 PolarHBondContact O-N 3.06Å; N61-M65 WeakPolarHBondContact O-CB 3.31Å; N61-M65 PolarHBondContact O-N 3.03Å
62V54.8Low46.8Very low63 Ų6393.9 Ų93.938%0.38248%0.483SS..Hα-helixtrans-62.4-46.2171.8173.20000109.4D58 T59 N64 M65 L66D58-V62 WeakPolarHBondContact O-CB 3.25Å; D58-V62 VanDerWaalsContact O-CG2 3.31Å; D58-V62 WeakPolarHBondContact O-CG2 3.45Å; D58-V62 PolarHBondContact O-N 3.43Å; T59-V62 PolarHBondContact O-N 3.36Å; V62-N64 PolarHBondContact O-N 2.84Å; V62-M65 PolarHBondContact O-N 2.85Å; V62-L66 HydrophobicContact CG1-CD1 3.83Å; V62-L66 HydrophobicContact CG1-CG 4.22Å; V62-L66 WeakPolarHBondContact O-CB 3.35Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 2.9Å
63V49.2Very low46.5Very low48 Ų4890.7 Ų90.729%0.29147%0.47SS..Hα-helixtrans-61.8-43.8176.1167.40000110.8T59 L66 I67T59-V63 WeakPolarHBondContact O-CB 3.34Å; T59-V63 WeakPolarHBondContact O-CG2 3.45Å; T59-V63 PolarHBondContact O-N 2.95Å; V63-L66 CarbonylContact O-C 3.51Å; V63-L66 WeakPolarHBondContact O-CB 3.37Å; V63-L66 PolarHBondContact O-N 3.19Å; V63-I67 HydrophobicContact CG1-CD1 3.48Å; V63-I67 VanDerWaalsContact CG1-CD1 3.48Å; V63-I67 HydrophobicContact CG1-CG1 4.2Å; V63-I67 WeakPolarHBondContact O-CB 3.36Å; V63-I67 WeakPolarHBondContact O-CD1 3.13Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.92Å
64N51.7Low45.9Very low82 Ų8297.7 Ų97.744%0.43949%0.49SS..Hα-helixtrans-67-37.3175.8-78.8-27.3000111.9M60 N61 V62 L66 I67 S68M60-N64 WeakPolarHBondContact O-CA 3.23Å; M60-N64 WeakPolarHBondContact O-CB 3.37Å; M60-N64 PolarHBondContact O-N 3.09Å; M60-N64 PolarHBondContact O-ND2 3.32Å; N61-N64 PolarHBondContact O-N 3.06Å; V62-N64 PolarHBondContact O-N 2.84Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-I67 PolarHBondContact O-N 3.4Å; N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.89Å; N64-S68 PolarHBondContact O-OG 2.94Å
65M50Low45Very low93 Ų9397 Ų9746%0.45849%0.491SS..Hα-helixtrans-66.4-39.9173.9-171.3179.759.200110.5N61 V62 S68 K69N61-M65 WeakPolarHBondContact O-CB 3.31Å; N61-M65 PolarHBondContact O-N 3.03Å; V62-M65 PolarHBondContact O-N 2.85Å; M65-S68 VanDerWaalsContact CA-OG 3.29Å; M65-S68 WeakPolarHBondContact CA-OG 3.31Å; M65-S68 PolarHBondContact O-OG 3.35Å; M65-S68 VanDerWaalsContact O-OG 3.09Å; M65-K69 HydrophobicContact CG-CD 4.35Å; M65-K69 VanDerWaalsContact O-CB 3.23Å; M65-K69 WeakPolarHBondContact O-CB 3.32Å; M65-K69 VanDerWaalsContact O-CG 3.28Å; M65-K69 WeakPolarHBondContact O-CG 3.43Å; M65-K69 PolarHBondContact O-N 3.27Å
66L41.5Very low44.2Very low52 Ų5297.2 Ų97.227%0.27250%0.501SS..Hα-helixtrans-67.3-39.1174.2-77.2179.8000111.9V62 V63 N64 R70 F71 Y72V62-L66 HydrophobicContact CG1-CD1 3.83Å; V62-L66 HydrophobicContact CG1-CG 4.22Å; V62-L66 WeakPolarHBondContact O-CB 3.35Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 2.9Å; V63-L66 CarbonylContact O-C 3.51Å; V63-L66 WeakPolarHBondContact O-CB 3.37Å; V63-L66 PolarHBondContact O-N 3.19Å; N64-L66 VanDerWaalsContact C-N 3.33Å; L66-R70 PolarHBondContact O-N 2.88Å; L66-F71 HydrophobicContact CD2-CB 4.18Å; L66-F71 HydrophobicContact CD2-CD2 4.37Å; L66-F71 WeakPolarHBondContact O-CA 3.47Å; L66-F71 WeakPolarHBondContact O-CB 3.32Å; L66-F71 PolarHBondContact O-N 3.21Å; L66-Y72 HydrophobicContact CB-CD2 3.73Å; L66-Y72 HydrophobicContact CB-CE2 4.42Å; L66-Y72 HydrophobicContact CD1-CD2 3.87Å; L66-Y72 HydrophobicContact CD1-CE2 3.89Å; L66-Y72 HydrophobicContact CD2-CD2 3.93Å; L66-Y72 HydrophobicContact CD2-CE2 3.78Å; L66-Y72 HydrophobicContact CG-CD2 4.03Å; L66-Y72 HydrophobicContact CG-CE2 4.23Å; L66-Y72 PolarHBondContact O-N 2.92Å
67I40.4Very low43.3Very low67 Ų6798.8 Ų98.834%0.34451%0.512SS..Hα-helixtrans-72.1-46.2176.2-69.7163.6000110.9V63 N64 K69 R70 Y72V63-I67 HydrophobicContact CG1-CD1 3.48Å; V63-I67 VanDerWaalsContact CG1-CD1 3.48Å; V63-I67 HydrophobicContact CG1-CG1 4.2Å; V63-I67 WeakPolarHBondContact O-CB 3.36Å; V63-I67 WeakPolarHBondContact O-CD1 3.13Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.92Å; N64-I67 PolarHBondContact O-N 3.4Å; I67-K69 PolarHBondContact O-N 3.32Å; I67-R70 WeakPolarHBondContact O-CA 3.47Å; I67-R70 PolarHBondContact O-N 3.17Å; I67-Y72 WeakPolarHBondContact CA-O 3.22Å; I67-Y72 VanDerWaalsContact CG1-O 3.3Å; I67-Y72 WeakPolarHBondContact CG1-O 3.4Å
68S49.5Very low42.5Very low89 Ų8998 Ų9862%0.62252%0.52SS*.Hα-helixtrans-65.8-37.6-18056.40000111.8N64 M65 R70N64-S68 WeakPolarHBondContact O-CB 3.46Å; N64-S68 PolarHBondContact O-N 2.89Å; N64-S68 PolarHBondContact O-OG 2.94Å; M65-S68 VanDerWaalsContact CA-OG 3.29Å; M65-S68 WeakPolarHBondContact CA-OG 3.31Å; M65-S68 PolarHBondContact O-OG 3.35Å; M65-S68 VanDerWaalsContact O-OG 3.09Å; S68-R70 PolarHBondContact O-N 3.31Å
69K49.3Very low41.4Very low129 Ų129100.7 Ų100.756%0.56153%0.527SS*.THydrogen-bonded Turntrans-76.16.8167.9-65.9-174.8-179.1179.70113.3M65 I67 F71M65-K69 HydrophobicContact CG-CD 4.35Å; M65-K69 VanDerWaalsContact O-CB 3.23Å; M65-K69 WeakPolarHBondContact O-CB 3.32Å; M65-K69 VanDerWaalsContact O-CG 3.28Å; M65-K69 WeakPolarHBondContact O-CG 3.43Å; M65-K69 PolarHBondContact O-N 3.27Å; I67-K69 PolarHBondContact O-N 3.32Å; K69-F71 HydrophobicContact CB-CD2 3.37Å; K69-F71 HydrophobicContact CB-CE2 3.42Å; K69-F71 VanDerWaalsContact CB-CE2 3.42Å; K69-F71 HydrophobicContact CB-CG 4.44Å; K69-F71 HydrophobicContact CD-CD2 4.29Å; K69-F71 HydrophobicContact CD-CE2 3.82Å; K69-F71 HydrophobicContact CG-CD2 4.47Å; K69-F71 HydrophobicContact CG-CE2 4.24Å; K69-F71 PolarHBondContact O-N 3.25Å
70R41Very low40.1Very low204 Ų20499.9 Ų99.977%0.7753%0.533SS*.THydrogen-bonded Turntrans55.625.9179.3-66.5-177.8172.8159.6-1.6114.5L66 I67 S68 V102L66-R70 PolarHBondContact O-N 2.88Å; I67-R70 WeakPolarHBondContact O-CA 3.47Å; I67-R70 PolarHBondContact O-N 3.17Å; S68-R70 PolarHBondContact O-N 3.31Å; R70-V102 WeakPolarHBondContact O-CG1 2.97Å
71F37.4Very low39Very low113 Ų113103.4 Ų103.450%0.49655%0.552SS.*SBendtrans-80.3-22.1175.1-68.1-61.6000112.9L66 K69 V102L66-F71 HydrophobicContact CD2-CB 4.18Å; L66-F71 HydrophobicContact CD2-CD2 4.37Å; L66-F71 WeakPolarHBondContact O-CA 3.47Å; L66-F71 WeakPolarHBondContact O-CB 3.32Å; L66-F71 PolarHBondContact O-N 3.21Å; K69-F71 HydrophobicContact CB-CD2 3.37Å; K69-F71 HydrophobicContact CB-CE2 3.42Å; K69-F71 VanDerWaalsContact CB-CE2 3.42Å; K69-F71 HydrophobicContact CB-CG 4.44Å; K69-F71 HydrophobicContact CD-CD2 4.29Å; K69-F71 HydrophobicContact CD-CE2 3.82Å; K69-F71 HydrophobicContact CG-CD2 4.47Å; K69-F71 HydrophobicContact CG-CE2 4.24Å; K69-F71 PolarHBondContact O-N 3.25Å; F71-V102 WeakPolarHBondContact O-CG1 3.31Å; F71-V102 WeakPolarHBondContact O-CG2 3.34Å
72Y30.7Very low37.8Very low130 Ų130104.5 Ų104.551%0.5156%0.562SS.*  trans-144.5135.9177.8-64.7-93.4000110.8L66 I67L66-Y72 HydrophobicContact CB-CD2 3.73Å; L66-Y72 HydrophobicContact CB-CE2 4.42Å; L66-Y72 HydrophobicContact CD1-CD2 3.87Å; L66-Y72 HydrophobicContact CD1-CE2 3.89Å; L66-Y72 HydrophobicContact CD2-CD2 3.93Å; L66-Y72 HydrophobicContact CD2-CE2 3.78Å; L66-Y72 HydrophobicContact CG-CD2 4.03Å; L66-Y72 HydrophobicContact CG-CE2 4.23Å; L66-Y72 PolarHBondContact O-N 2.92Å; I67-Y72 WeakPolarHBondContact CA-O 3.22Å; I67-Y72 VanDerWaalsContact CG1-O 3.3Å; I67-Y72 WeakPolarHBondContact CG1-O 3.4Å
73T30.1Very low36.8Very low74 Ų74109.9 Ų109.945%0.45458%0.58SS.*  trans-121.8116163.150.10000107.5S75 T105T73-S75 PolarHBondContact O-N 2.52Å; T73-T105 WeakPolarHBondContact OG1-CG2 3.45Å; T73-T105 PolarHBondContact OG1-OG1 2.84Å
74F28.8Very low35.9Very low181 Ų181116.1 Ų116.179%0.79460%0.598SS**  trans-76.2101.8165.3-98.5-92.6000108.1
75S31.1Very low35Very low59 Ų59119 Ų11941%0.41362%0.622SS.*PPolyproline II helixtrans-72.5134.3159.451.20000107.8T73T73-S75 PolarHBondContact O-N 2.52Å
76P29.2Very low34.3Very low112 Ų112117.5 Ų117.573%0.72763%0.63SS**PPolyproline II helixtrans-53.7141.2170.121.9-31.2000109A78P76-A78 PolarHBondContact O-N 2.76Å; P76-A78 VanDerWaalsContact O-N 3.08Å
77P30Very low34.1Very low107 Ų107118.5 Ų118.570%0.69564%0.636SS**PPolyproline II helixtrans-52.6122.3-179.519-29.6000108.6F79P77-F79 HydrophobicContact CB-CD2 4.41Å; P77-F79 PolarHBondContact O-N 3.27Å
78A32.6Very low34Very low83 Ų83122.7 Ų122.769%0.68666%0.659SS**SBendtrans-64-0.4176.600000112.7P76 G80P76-A78 PolarHBondContact O-N 2.76Å; P76-A78 VanDerWaalsContact O-N 3.08Å; A78-G80 PolarHBondContact O-N 3.27Å
79F31.3Very low33.5Very low154 Ų154124.5 Ų124.568%0.67566%0.656SS**  trans-97.972.8-175.2-53-71.9000110.7P77P77-F79 HydrophobicContact CB-CD2 4.41Å; P77-F79 PolarHBondContact O-N 3.27Å
80G26.7Very low32.8Very low55 Ų55126 Ų12657%0.56766%0.659SS**  trans-87.7144.7154.300000109.2A78 V82A78-G80 PolarHBondContact O-N 3.27Å; G80-V82 PolarHBondContact O-N 3.18Å
81I29.2Very low32.5Very low181 Ų181121.3 Ų121.393%0.92866%0.655SS**SBendtrans-60-13.6170.6-23.7170.2000111.6K83I81-K83 PolarHBondContact O-N 3.26Å
82V30Very low32.2Very low119 Ų119124.8 Ų124.872%0.72167%0.665SS**  trans-81.595.3179.8-172.10000109.4G80 R84G80-V82 PolarHBondContact O-N 3.18Å; V82-R84 PolarHBondContact O-N 2.58Å
83K32.3Very low32.5Very low176 Ų176123.1 Ų123.177%0.76566%0.662SS**PPolyproline II helixtrans-64123.5164.1-65.7-170.4176.5-170.10108.9I81 D87I81-K83 PolarHBondContact O-N 3.26Å; K83-D87 WeakPolarHBondContact CA-OD2 3.46Å; K83-D87 HydrophobicContact CB-CB 4.5Å
84R32.2Very low32.6Very low178 Ų178122.7 Ų122.767%0.67266%0.662SS**PPolyproline II helixtrans-83.8155.1173.2-67.8-169.6-171.1-154.81.4109.8V82 G86 D87V82-R84 PolarHBondContact O-N 2.58Å; R84-G86 PolarHBondContact O-N 3.45Å; R84-D87 PolarHBondContact N-OD2 2.92Å; R84-D87 WeakPolarHBondContact O-CB 3.35Å; R84-D87 VanDerWaalsContact O-CG 3.31Å; R84-D87 PolarHBondContact O-N 3.1Å
85P31.5Very low32.6Very low142 Ų142119 Ų11992%0.92265%0.653SS**THydrogen-bonded Turntrans-55.6123.1175.4-21.832.4000110.6
86G36.5Very low32.6Very low62 Ų62121.7 Ų121.764%0.63966%0.663SS**THydrogen-bonded Turntrans107.21.5-178.100000116.1R84 D88R84-G86 PolarHBondContact O-N 3.45Å; G86-D88 PolarHBondContact O-N 3.11Å
87D35.6Very low32.7Very low73 Ų73118.8 Ų118.839%0.3965%0.648SS.*  trans-76.951.6-177.8-76-17.3000115K83 R84 F89K83-D87 WeakPolarHBondContact CA-OD2 3.46Å; K83-D87 HydrophobicContact CB-CB 4.5Å; R84-D87 PolarHBondContact N-OD2 2.92Å; R84-D87 WeakPolarHBondContact O-CB 3.35Å; R84-D87 VanDerWaalsContact O-CG 3.31Å; R84-D87 PolarHBondContact O-N 3.1Å; D87-F89 PolarHBondContact O-N 3.25Å
88D38.3Very low32.7Very low156 Ų156122.5 Ų122.583%0.83466%0.656SS**  trans-86.756.3167-70.9-22.6000110.3G86G86-D88 PolarHBondContact O-N 3.11Å
89F39.7Very low32.7Very low127 Ų127124.3 Ų124.356%0.55765%0.65SS**  trans-104.6136178.5-64.6-72.5000112D87D87-F89 PolarHBondContact O-N 3.25Å
90Y34.9Very low32.7Very low159 Ų159118 Ų11862%0.62463%0.626SS**  trans-75.6141.7172.6-70-80.6000109.9W92 Q93Y90-W92 VanDerWaalsContact CB-NE1 3.32Å; Y90-W92 AromaticContact CG-NE1 3.9Å; Y90-W92 PolarHBondContact O-N 2.84Å; Y90-Q93 WeakPolarHBondContact O-CB 3.38Å; Y90-Q93 PolarHBondContact O-N 3.23Å
91P33.7Very low33Very low106 Ų106116.8 Ų116.869%0.68861%0.609SS**G310 helixtrans-50.6-32.5-176.7-29.233.9000114.7Q93 C94 V95P91-Q93 VanDerWaalsContact C-N 3.3Å; P91-Q93 PolarHBondContact O-N 3.46Å; P91-C94 WeakPolarHBondContact O-CB 3Å; P91-C94 PolarHBondContact O-N 3.27Å; P91-C94 VanDerWaalsContact O-N 3.11Å; P91-V95 WeakPolarHBondContact O-CG2 3.27Å
92W33Very low33.2Very low186 Ų186110.9 Ų110.971%0.70558%0.581SS**G310 helixtrans-70.2-22.8-179.966.6-95.9000113.9Y90 C94Y90-W92 VanDerWaalsContact CB-NE1 3.32Å; Y90-W92 AromaticContact CG-NE1 3.9Å; Y90-W92 PolarHBondContact O-N 2.84Å; W92-C94 PolarHBondContact O-N 3.04Å
93Q36.1Very low33.2Very low95 Ų95110 Ų11044%0.44457%0.57SS.*G310 helixtrans-70.5-16.4172.9-64.8175.7-63.800111.8Y90 P91Y90-Q93 WeakPolarHBondContact O-CB 3.38Å; Y90-Q93 PolarHBondContact O-N 3.23Å; P91-Q93 VanDerWaalsContact C-N 3.3Å; P91-Q93 PolarHBondContact O-N 3.46Å
94C32.4Very low33Very low66 Ų66102.5 Ų102.545%0.44654%0.541SS..G310 helixtrans-101.13.9-177.4-60.90000114.3P91 W92 L96P91-C94 WeakPolarHBondContact O-CB 3Å; P91-C94 PolarHBondContact O-N 3.27Å; P91-C94 VanDerWaalsContact O-N 3.11Å; W92-C94 PolarHBondContact O-N 3.04Å; C94-L96 VanDerWaalsContact C-N 3.26Å; C94-L96 PolarHBondContact O-N 3.19Å; C94-L96 VanDerWaalsContact O-N 3.14Å
95V28.8Very low33.1Very low103 Ų10396 Ų9662%0.62452%0.521SS*.THydrogen-bonded Turntrans-75.3-0.7-167.6173.10000115P91P91-V95 WeakPolarHBondContact O-CG2 3.27Å
96L29.9Very low33.2Very low116 Ų11692.1 Ų92.161%0.60750%0.495SS*.THydrogen-bonded Turntrans-102.812.6-171.8-63.6178.4000116.2C94 A100C94-L96 VanDerWaalsContact C-N 3.26Å; C94-L96 PolarHBondContact O-N 3.19Å; C94-L96 VanDerWaalsContact O-N 3.14Å; L96-A100 WeakPolarHBondContact O-CB 3.1Å
97A32.4Very low33Very low50 Ų5093.8 Ų93.841%0.41349%0.492SS..THydrogen-bonded Turntrans-81.4-35.9179.100000114.3
98E29.1Very low32.8Very low185 Ų18594.9 Ų94.986%0.86449%0.492SS*.THydrogen-bonded Turntrans-82.1-26.2-172.8-78.9-171.2155.400114.5
99E33.8Very low32.6Very low121 Ų12194.6 Ų94.657%0.56548%0.479SS*.THydrogen-bonded Turntrans-132.78.6-173.2-68.9-167.8134.700114.7R192E99-R192 VanDerWaalsContact CD-NH1 3.29Å; E99-R192 IonicContact OE1-CZ 2.84Å; E99-R192 IonicContact OE1-NH1 3.19Å; E99-R192 PolarHBondContact OE1-NH1 2.74Å; E99-R192 IonicContact OE1-NH2 2.98Å; E99-R192 IonicContact OE2-CZ 3.01Å; E99-R192 IonicContact OE2-NH1 2.8Å; E99-R192 PolarHBondContact OE2-NH1 3.26Å; E99-R192 IonicContact OE2-NH2 3.36Å; E99-R192 PolarHBondContact OE2-NH2 3.04Å
100A30.7Very low32.5Very low21 Ų2197 Ų9717%0.17449%0.492CS..SBendtrans-50.9130.8164.700000108.3L96 V102 A104L96-A100 WeakPolarHBondContact O-CB 3.1Å; A100-V102 PolarHBondContact O-N 3.33Å; A100-A104 HydrophobicContact CB-CB 3.68Å
101P32.5Very low32.5Very low30 Ų3093.8 Ų93.820%0.19550%0.498CS..  trans-47.9149.7164.10.8-1.1000107.7M103 A104 S155P101-M103 CarbonylContact O-C 3.58Å; P101-M103 PolarHBondContact O-N 3.47Å; P101-A104 PolarHBondContact O-N 2.93Å; P101-S155 WeakPolarHBondContact CG-OG 3.19Å
102V34.9Very low32.6Very low57 Ų5789.8 Ų89.835%0.34547%0.472SS..THydrogen-bonded Turntrans-39.6-22.8176.8-173.70000113.6R70 F71 A100 R138R70-V102 WeakPolarHBondContact O-CG1 2.97Å; F71-V102 WeakPolarHBondContact O-CG1 3.31Å; F71-V102 WeakPolarHBondContact O-CG2 3.34Å; A100-V102 PolarHBondContact O-N 3.33Å; V102-R138 PolarHBondContact O-NH2 3.31Å
103M28.6Very low32.6Very low101 Ų10186 Ų8650%0.49847%0.466SS..THydrogen-bonded Turntrans-91.22.9178.7-56.2-172.667.400117.3P101 R138P101-M103 CarbonylContact O-C 3.58Å; P101-M103 PolarHBondContact O-N 3.47Å; M103-R138 VanDerWaalsContact C-NH1 3.27Å; M103-R138 PolarHBondContact O-NH1 2.87Å
104A28.6Very low32.7Very low18 Ų1888.3 Ų88.315%0.14947%0.474CS..  trans-123.925.1-176.100000114.2A100 P101 T106 Y151A100-A104 HydrophobicContact CB-CB 3.68Å; P101-A104 PolarHBondContact O-N 2.93Å; A104-T106 PolarHBondContact O-N 3.49Å; A104-T106 VanDerWaalsContact O-N 3.09Å; A104-Y151 HydrophobicContact CB-CD1 3.9Å; A104-Y151 HydrophobicContact CB-CE1 4Å; A104-Y151 HydrophobicContact CB-CG 4.5Å
105T33.3Very low33Very low43 Ų4388.3 Ų88.326%0.26448%0.479SS..  trans-73.28.6-176.341.20000116.7T73 R138T73-T105 WeakPolarHBondContact OG1-CG2 3.45Å; T73-T105 PolarHBondContact OG1-OG1 2.84Å; T105-R138 PolarHBondContact OG1-NH2 3.18Å
106T33.7Very low33.7Very low59 Ų5987.9 Ų87.936%0.36247%0.473SS..  trans-102.1100.2175.136.80000109.5A104 Y108A104-T106 PolarHBondContact O-N 3.49Å; A104-T106 VanDerWaalsContact O-N 3.09Å; T106-Y108 PolarHBondContact O-N 3.44Å; T106-Y108 VanDerWaalsContact O-N 3.1Å
107V33.4Very low34.2Very low97 Ų9786.6 Ų86.659%0.58846%0.462SS*.  trans-41.8118158177.30000107.6R109V107-R109 HydrophobicContact CG1-CG 4.27Å; V107-R109 PolarHBondContact O-N 3.06Å
108Y32Very low34.7Very low96 Ų9688.5 Ų88.538%0.37646%0.463SS..  trans-66.480.4176.5-87.2-86.5000110T106 Q110 P145 P146 Y151T106-Y108 PolarHBondContact O-N 3.44Å; T106-Y108 VanDerWaalsContact O-N 3.1Å; Y108-Q110 PolarHBondContact O-N 3.48Å; Y108-P145 HydrophobicContact CD1-CB 3.79Å; Y108-P145 HydrophobicContact CE1-CB 3.68Å; Y108-P146 HydrophobicContact CE1-CG 4.37Å; Y108-P146 VanDerWaalsContact OH-CB 3.27Å; Y108-P146 WeakPolarHBondContact OH-CB 3.3Å; Y108-P146 WeakPolarHBondContact OH-CD 3.41Å; Y108-P146 WeakPolarHBondContact OH-CG 3.46Å; Y108-Y151 HydrophobicContact CD2-CE2 4.45Å; Y108-Y151 HydrophobicContact CE2-CD2 4.22Å; Y108-Y151 AromaticContact CE2-CE2 3.23Å; Y108-Y151 HydrophobicContact CE2-CE2 3.23Å; Y108-Y151 AromaticContact CE2-CZ 3.77Å; Y108-Y151 AromaticContact CZ-CE2 3.4Å; Y108-Y151 VanDerWaalsContact CZ-CE2 3.4Å; Y108-Y151 AromaticContact CZ-CZ 3.84Å; Y108-Y151 WeakPolarHBondContact OH-CE2 3.47Å; Y108-Y151 PolarHBondContact OH-OH 3.49Å
109R33.2Very low35.4Very low151 Ų15182.2 Ų82.257%0.5744%0.439SS*.  trans-77.7106161.2-60.2-178.7170.4-177.72.1106.2V107 A111 V112V107-R109 HydrophobicContact CG1-CG 4.27Å; V107-R109 PolarHBondContact O-N 3.06Å; R109-A111 PolarHBondContact O-N 3.31Å; R109-V112 HydrophobicContact CB-CB 4.28Å; R109-V112 HydrophobicContact CB-CG2 3.2Å; R109-V112 HydrophobicContact CG-CG2 3.86Å
110Q37.3Very low36.1Very low177 Ų17780.4 Ų80.483%0.82744%0.436SS*.THydrogen-bonded Turntrans-63.1-13.9-171.1-163.7170.9-2.100113.6Y108Y108-Q110 PolarHBondContact O-N 3.48Å
111A34.6Very low36.6Very low92 Ų9284.7 Ų84.776%0.7646%0.455SS*.THydrogen-bonded Turntrans-150.352-17700000112.5R109R109-A111 PolarHBondContact O-N 3.31Å
112V35.6Very low37.3Very low21 Ų2186 Ų8613%0.12746%0.46CS..  trans-88.7129.8167.1177.10000107R109 D116 F117 R137R109-V112 HydrophobicContact CB-CB 4.28Å; R109-V112 HydrophobicContact CB-CG2 3.2Å; R109-V112 HydrophobicContact CG-CG2 3.86Å; V112-D116 WeakPolarHBondContact CA-OD2 3.46Å; V112-D116 HydrophobicContact CG1-CB 3.62Å; V112-D116 WeakPolarHBondContact CG1-OD2 3.49Å; V112-F117 HydrophobicContact CB-CE2 4.37Å; V112-F117 HydrophobicContact CG1-CD2 3.88Å; V112-F117 HydrophobicContact CG1-CE2 3.26Å; V112-F117 HydrophobicContact CG1-CZ 3.85Å; V112-R137 PolarHBondContact O-NH1 3.36Å; V112-R137 VanDerWaalsContact O-NH1 3.1Å; V112-R137 PolarHBondContact O-NH2 3.49Å
113D33.8Very low37.8Very low108 Ų10893.5 Ų93.558%0.57849%0.491SS*.  trans-88.6160.2176.3-85.8-29.8000110.9A115 D116 R137D113-A115 PolarHBondContact O-N 3.41Å; D113-D116 PolarHBondContact N-OD2 2.97Å; D113-D116 WeakPolarHBondContact O-CB 3.36Å; D113-D116 PolarHBondContact O-N 3.4Å; D113-D116 VanDerWaalsContact O-N 3.11Å; D113-R137 PolarHBondContact O-NH2 3.39Å
114K38.7Very low39.4Very low143 Ų14392.4 Ų92.462%0.62249%0.494SS*.THydrogen-bonded Turntrans-60.5-32.3-178.5-167.2-171.2174.4-1360110D116 F117 E118K114-D116 PolarHBondContact O-N 3.34Å; K114-F117 PolarHBondContact O-N 3.11Å; K114-E118 WeakPolarHBondContact CE-OE1 3.19Å; K114-E118 IonicContact NZ-OE1 2.67Å; K114-E118 PolarHBondContact NZ-OE1 2.89Å; K114-E118 PolarHBondContact O-N 3.02Å
115A38.1Very low40Very low66 Ų6694.2 Ų94.255%0.54551%0.514SS..Hα-helixtrans-56.7-32.1175.800000113.3D113 F117 E118D113-A115 PolarHBondContact O-N 3.41Å; A115-F117 PolarHBondContact O-N 3.24Å; A115-F117 VanDerWaalsContact O-N 3.17Å; A115-E118 PolarHBondContact O-N 2.76Å
116D44Very low40.7Very low94 Ų9498.5 Ų98.550%0.50353%0.529SS..Hα-helixtrans-69.3-16.4-175-64.1-27.8000113.7V112 D113 K114V112-D116 WeakPolarHBondContact CA-OD2 3.46Å; V112-D116 HydrophobicContact CG1-CB 3.62Å; V112-D116 WeakPolarHBondContact CG1-OD2 3.49Å; D113-D116 PolarHBondContact N-OD2 2.97Å; D113-D116 WeakPolarHBondContact O-CB 3.36Å; D113-D116 PolarHBondContact O-N 3.4Å; D113-D116 VanDerWaalsContact O-N 3.11Å; K114-D116 PolarHBondContact O-N 3.34Å
117F39.2Very low41.1Very low88 Ų88101.3 Ų101.339%0.38654%0.541SS..Hα-helixtrans-113.2-9.2176.7-62.4-72.1000113.7V112 K114 A115 C119V112-F117 HydrophobicContact CB-CE2 4.37Å; V112-F117 HydrophobicContact CG1-CD2 3.88Å; V112-F117 HydrophobicContact CG1-CE2 3.26Å; V112-F117 HydrophobicContact CG1-CZ 3.85Å; K114-F117 PolarHBondContact O-N 3.11Å; A115-F117 PolarHBondContact O-N 3.24Å; A115-F117 VanDerWaalsContact O-N 3.17Å; F117-C119 PolarHBondContact O-N 2.83Å
118E44.1Very low41.8Very low91 Ų91101.9 Ų101.943%0.42553%0.534SS..Hα-helixtrans-71.6-24178.4-77.8-176.9-179.600111.3K114 A115 Q129 P130K114-E118 WeakPolarHBondContact CE-OE1 3.19Å; K114-E118 IonicContact NZ-OE1 2.67Å; K114-E118 PolarHBondContact NZ-OE1 2.89Å; K114-E118 PolarHBondContact O-N 3.02Å; A115-E118 PolarHBondContact O-N 2.76Å; E118-Q129 WeakPolarHBondContact O-CA 3.4Å; E118-Q129 WeakPolarHBondContact O-CG 3.34Å; E118-P130 VanDerWaalsContact O-CD 3.3Å; E118-P130 WeakPolarHBondContact O-CD 3.39Å
119C43.8Very low42.9Very low52 Ų52104.5 Ų104.535%0.35155%0.549SS..  trans-134.8135.2175.6-60.90000112.2F117 L127 Y128F117-C119 PolarHBondContact O-N 2.83Å; C119-L127 HydrophobicContact CB-CD2 3.42Å; C119-L127 VanDerWaalsContact CB-CD2 3.42Å; C119-Y128 CarbonylContact C-O 3.51Å; C119-Y128 WeakPolarHBondContact CA-O 3.33Å
120V48.5Very low43.7Very low83 Ų8399.4 Ų99.450%0.50354%0.536SS..EExtended strand (participates in β ladder)trans-107140169.4-174.70000108.2Y128 P130V120-Y128 PolarHBondContact N-O 3.33Å; V120-Y128 PolarHBondContact O-N 3.1Å; V120-P130 HydrophobicContact CG2-CB 4.49Å; V120-P130 HydrophobicContact CG2-CG 4.3Å
121I40.3Very low44.4Very low112 Ų112103 Ų10357%0.57454%0.542SS*.EExtended strand (participates in β ladder)trans-93.7125172.9-56.2173.6000107.7K126 L127I121-K126 WeakPolarHBondContact CA-O 3.31Å; I121-L127 HydrophobicContact CD1-CD2 4.34Å; I121-L127 HydrophobicContact CG1-CD2 3.64Å; I121-L127 HydrophobicContact CG1-CG 4.09Å
122D47.5Very low45Very low58 Ų58104.8 Ų104.831%0.3154%0.543SS..  trans-79.8177.3174.674.1-5.7000112.3S124 G125 K126 Y128D122-S124 PolarHBondContact O-N 3.4Å; D122-S124 VanDerWaalsContact O-N 3.15Å; D122-S124 VanDerWaalsContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CA 3.48Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.27Å; D122-S124 PolarHBondContact OD1-OG 3.31Å; D122-S124 PolarHBondContact OD2-OG 3.45Å; D122-G125 PolarHBondContact O-N 3.21Å; D122-G125 PolarHBondContact OD1-N 3.45Å; D122-K126 PolarHBondContact N-O 2.75Å; D122-K126 PolarHBondContact OD1-N 3.17Å; D122-Y128 HydrophobicContact CB-CD2 4.2Å; D122-Y128 HydrophobicContact CB-CE2 3.74Å; D122-Y128 WeakPolarHBondContact OD2-CE2 3.39Å; D122-Y128 VanDerWaalsContact OD2-CZ 3.29Å; D122-Y128 PolarHBondContact OD2-OH 3.33Å
123E45.5Very low45.1Very low213 Ų213108.5 Ų108.5100%0.99557%0.567SS**THydrogen-bonded Turntrans-61.7-19.6175.8-58.6-176.6-179.200113G125E123-G125 VanDerWaalsContact C-N 3.29Å
124S62.5Low45.1Very low79 Ų79109.4 Ų109.455%0.55258%0.576SS**THydrogen-bonded Turntrans-83.5-4.1175.785.80000113.5D122 K126D122-S124 PolarHBondContact O-N 3.4Å; D122-S124 VanDerWaalsContact O-N 3.15Å; D122-S124 VanDerWaalsContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CA 3.48Å; D122-S124 WeakPolarHBondContact OD1-CB 3.48Å; D122-S124 PolarHBondContact OD1-N 3.27Å; D122-S124 PolarHBondContact OD1-OG 3.31Å; D122-S124 PolarHBondContact OD2-OG 3.45Å; S124-K126 VanDerWaalsContact C-N 3.32Å
125G41.2Very low45.1Very low56 Ų56105.7 Ų105.758%0.57757%0.568SS**SBendtrans79.510.1-17700000114.2D122 E123D122-G125 PolarHBondContact O-N 3.21Å; D122-G125 PolarHBondContact OD1-N 3.45Å; E123-G125 VanDerWaalsContact C-N 3.29Å
126K48.3Very low45.1Very low132 Ų132108.7 Ų108.757%0.57457%0.574SS**  trans-91141.9178.9-76.1179.9178.7178.30111I121 D122 S124 Y128I121-K126 WeakPolarHBondContact CA-O 3.31Å; D122-K126 PolarHBondContact N-O 2.75Å; D122-K126 PolarHBondContact OD1-N 3.17Å; S124-K126 VanDerWaalsContact C-N 3.32Å; K126-Y128 HydrophobicContact CB-CD2 4.38Å; K126-Y128 HydrophobicContact CB-CE1 4.46Å; K126-Y128 HydrophobicContact CB-CE2 3.37Å; K126-Y128 VanDerWaalsContact CB-CZ 3.46Å; K126-Y128 VanDerWaalsContact CB-OH 3.28Å; K126-Y128 WeakPolarHBondContact CB-OH 3.49Å; K126-Y128 VanDerWaalsContact CD-OH 3.31Å; K126-Y128 WeakPolarHBondContact CD-OH 3.2Å; K126-Y128 WeakPolarHBondContact O-CD2 3.42Å; K126-Y128 WeakPolarHBondContact O-CE2 3.1Å
127L42.8Very low44.8Very low119 Ų119108.4 Ų108.462%0.62357%0.565SS**EExtended strand (participates in β ladder)trans-84130.5175.8-80155.4000110.6C119 I121C119-L127 HydrophobicContact CB-CD2 3.42Å; C119-L127 VanDerWaalsContact CB-CD2 3.42Å; I121-L127 HydrophobicContact CD1-CD2 4.34Å; I121-L127 HydrophobicContact CG1-CD2 3.64Å; I121-L127 HydrophobicContact CG1-CG 4.09Å
128Y47.6Very low45.1Very low109 Ų109109 Ų10943%0.42757%0.565SS.*EExtended strand (participates in β ladder)trans-133.4142.2173.3-51.2-94.7000111.1C119 V120 D122 K126C119-Y128 CarbonylContact C-O 3.51Å; C119-Y128 WeakPolarHBondContact CA-O 3.33Å; V120-Y128 PolarHBondContact N-O 3.33Å; V120-Y128 PolarHBondContact O-N 3.1Å; D122-Y128 HydrophobicContact CB-CD2 4.2Å; D122-Y128 HydrophobicContact CB-CE2 3.74Å; D122-Y128 WeakPolarHBondContact OD2-CE2 3.39Å; D122-Y128 VanDerWaalsContact OD2-CZ 3.29Å; D122-Y128 PolarHBondContact OD2-OH 3.33Å; K126-Y128 HydrophobicContact CB-CD2 4.38Å; K126-Y128 HydrophobicContact CB-CE1 4.46Å; K126-Y128 HydrophobicContact CB-CE2 3.37Å; K126-Y128 VanDerWaalsContact CB-CZ 3.46Å; K126-Y128 VanDerWaalsContact CB-OH 3.28Å; K126-Y128 WeakPolarHBondContact CB-OH 3.49Å; K126-Y128 VanDerWaalsContact CD-OH 3.31Å; K126-Y128 WeakPolarHBondContact CD-OH 3.2Å; K126-Y128 WeakPolarHBondContact O-CD2 3.42Å; K126-Y128 WeakPolarHBondContact O-CE2 3.1Å
129Q54.2Low45.2Very low150 Ų150109.2 Ų109.270%0.70156%0.563SS**  trans-77.1121.9169.2-68.6-179.4-1400109.4E118 R131E118-Q129 WeakPolarHBondContact O-CA 3.4Å; E118-Q129 WeakPolarHBondContact O-CG 3.34Å; Q129-R131 PolarHBondContact O-N 3.18Å; Q129-R131 VanDerWaalsContact O-N 3.15Å
130P50.4Low45.3Very low45 Ų45111.7 Ų111.729%0.29257%0.569SS.*  trans-65.4116.6179.624-29.3000109.9E118 V120 T132E118-P130 VanDerWaalsContact O-CD 3.3Å; E118-P130 WeakPolarHBondContact O-CD 3.39Å; V120-P130 HydrophobicContact CG2-CB 4.49Å; V120-P130 HydrophobicContact CG2-CG 4.3Å; P130-T132 PolarHBondContact O-N 3.43Å
131R51.4Low45.4Very low251 Ų251111.9 Ų111.995%0.94757%0.572SS**SBendtrans-67.8-18.5-178.5-81.1-174-1791790.8114.4Q129Q129-R131 PolarHBondContact O-N 3.18Å; Q129-R131 VanDerWaalsContact O-N 3.15Å
132T47.1Very low45.9Very low130 Ų130115.2 Ų115.280%0.79858%0.582SS**SBendtrans-124.1-10.3-163.748.30000115.6P130P130-T132 PolarHBondContact O-N 3.43Å
133T37.5Very low46.3Very low100 Ų100116.9 Ų116.961%0.61359%0.591SS**  trans-12691.3-176.335.20000111.4S135T133-S135 PolarHBondContact O-N 3.03Å; T133-S135 VanDerWaalsContact O-N 3.14Å
134T34.7Very low46.9Very low127 Ų127113.9 Ų113.978%0.77958%0.582SS**  trans-72.3101.6161.3410000108.3I136T134-I136 VanDerWaalsContact C-N 3.31Å; T134-I136 PolarHBondContact O-N 3.48Å
135S38.9Very low46.6Very low65 Ų65113 Ų11346%0.45558%0.575SS.*  trans-63.892.7166.3160.40000108.8T133 R137T133-S135 PolarHBondContact O-N 3.03Å; T133-S135 VanDerWaalsContact O-N 3.14Å; S135-R137 PolarHBondContact O-N 3.01Å
136I36.8Very low47.5Very low128 Ų128111.8 Ų111.866%0.65656%0.556SS**  trans-76.7112.2171.9-61.5172.2000107.2T134 R138T134-I136 VanDerWaalsContact C-N 3.31Å; T134-I136 PolarHBondContact O-N 3.48Å; I136-R138 PolarHBondContact O-N 3.37Å
137R39.4Very low48.4Very low88 Ų88109.3 Ų109.333%0.33255%0.552SS.*  trans-60.3124.9165.3-64.9-170.2-171.2-152.93.6108V112 D113 S135 Y139V112-R137 PolarHBondContact O-NH1 3.36Å; V112-R137 VanDerWaalsContact O-NH1 3.1Å; V112-R137 PolarHBondContact O-NH2 3.49Å; D113-R137 PolarHBondContact O-NH2 3.39Å; S135-R137 PolarHBondContact O-N 3.01Å; R137-Y139 VanDerWaalsContact CB-O 3.31Å; R137-Y139 WeakPolarHBondContact CB-O 3.37Å; R137-Y139 PolarHBondContact O-N 2.98Å
138R45.1Very low49.6Very low102 Ų102106.1 Ų106.139%0.38554%0.54SS..SBendtrans-65.9-18.3173-65.7178.6-173.2-122.88.3112.2V102 M103 T105 I136V102-R138 PolarHBondContact O-NH2 3.31Å; M103-R138 VanDerWaalsContact C-NH1 3.27Å; M103-R138 PolarHBondContact O-NH1 2.87Å; T105-R138 PolarHBondContact OG1-NH2 3.18Å; I136-R138 PolarHBondContact O-N 3.37Å
139Y45Very low50.8Low94 Ų94101.4 Ų101.437%0.36952%0.522SS..SBendtrans-132.7146.2-175.4-55.6-79.1000111.3R137 P146 Y151R137-Y139 VanDerWaalsContact CB-O 3.31Å; R137-Y139 WeakPolarHBondContact CB-O 3.37Å; R137-Y139 PolarHBondContact O-N 2.98Å; Y139-P146 HydrophobicContact CD1-CG 3.68Å; Y139-P146 HydrophobicContact CD2-CG 3.83Å; Y139-P146 HydrophobicContact CE1-CG 3.36Å; Y139-P146 HydrophobicContact CE2-CG 3.56Å; Y139-P146 HydrophobicContact CG-CG 3.9Å; Y139-Y151 WeakPolarHBondContact CE2-OH 3.29Å; Y139-Y151 PolarHBondContact OH-OH 2.94Å
140H46Very low51.7Low105 Ų10596.1 Ų96.149%0.48651%0.507SS..  trans-69139.5174.3-172.2-94.6000109.3K142 D143H140-K142 PolarHBondContact ND1-N 2.8Å; H140-K142 PolarHBondContact O-N 2.98Å; H140-K142 VanDerWaalsContact O-N 3.09Å; H140-D143 WeakPolarHBondContact CB-OD2 3.35Å; H140-D143 WeakPolarHBondContact O-CB 3.47Å; H140-D143 PolarHBondContact O-N 3.08Å
141P51.8Low52.7Low86 Ų8695.4 Ų95.456%0.55850%0.499SS*.THydrogen-bonded Turntrans-60.3-25.2-174.8-21.430.9000114.3
142K50.8Low53.8Low182 Ų18284.1 Ų84.179%0.79146%0.458SS*.THydrogen-bonded Turntrans-84.3-12.8178.1-57.8-173.3-177.9179.20113.4H140H140-K142 PolarHBondContact ND1-N 2.8Å; H140-K142 PolarHBondContact O-N 2.98Å; H140-K142 VanDerWaalsContact O-N 3.09Å
143D56.3Low55.4Low93 Ų9382.4 Ų82.450%0.49744%0.439SS..SBendtrans-78.1147.4176.4-61.6-17.1000108.8H140H140-D143 WeakPolarHBondContact CB-OD2 3.35Å; H140-D143 WeakPolarHBondContact O-CB 3.47Å; H140-D143 PolarHBondContact O-N 3.08Å
144N56.2Low57.2Low150 Ų15080.4 Ų80.480%0.80243%0.433SS*.PPolyproline II helixtrans-58.9128.8173.1-71.4-31.4000108.9
145P56.4Low59.1Low62 Ų6275 Ų7540%0.40340%0.4SS..PPolyproline II helixtrans-58.7135.2178.624.1-32.8000108.8Y108 T147Y108-P145 HydrophobicContact CD1-CB 3.79Å; Y108-P145 HydrophobicContact CE1-CB 3.68Å; P145-T147 PolarHBondContact O-N 2.94Å
146P61.4Low60.9Low30 Ų3072.3 Ų72.320%0.19538%0.381CS..PPolyproline II helixtrans-59.1134178.6-2222000111.9Y108 Y139 Y151Y108-P146 HydrophobicContact CE1-CG 4.37Å; Y108-P146 VanDerWaalsContact OH-CB 3.27Å; Y108-P146 WeakPolarHBondContact OH-CB 3.3Å; Y108-P146 WeakPolarHBondContact OH-CD 3.41Å; Y108-P146 WeakPolarHBondContact OH-CG 3.46Å; Y139-P146 HydrophobicContact CD1-CG 3.68Å; Y139-P146 HydrophobicContact CD2-CG 3.83Å; Y139-P146 HydrophobicContact CE1-CG 3.36Å; Y139-P146 HydrophobicContact CE2-CG 3.56Å; Y139-P146 HydrophobicContact CG-CG 3.9Å; P146-Y151 HydrophobicContact CB-CD2 4.12Å; P146-Y151 HydrophobicContact CB-CE2 3.56Å; P146-Y151 HydrophobicContact CG-CE2 4.24Å
147T67.5Low63Low80 Ų8072.4 Ų72.449%0.49138%0.377SS..PPolyproline II helixtrans-72.7151.3174.6-40.90000110.1P145 L149 G150 Y151 E204P145-T147 PolarHBondContact O-N 2.94Å; T147-L149 HydrophobicContact CG2-CB 4.47Å; T147-L149 PolarHBondContact O-N 3Å; T147-G150 WeakPolarHBondContact O-CA 3.49Å; T147-G150 PolarHBondContact O-N 3.29Å; T147-Y151 PolarHBondContact O-N 3.26Å; T147-E204 WeakPolarHBondContact CG2-OE1 3.16Å
148S66.6Low64.8Low52 Ų5272.1 Ų72.136%0.36438%0.379SS..Hα-helixtrans-51.5-42.2173.551.20000112.3G150 Y151 L152S148-G150 VanDerWaalsContact C-N 3.31Å; S148-G150 PolarHBondContact O-N 3.41Å; S148-Y151 PolarHBondContact O-N 3.35Å; S148-L152 PolarHBondContact O-N 3.14Å
149L74.3Confident66.1Low10 Ų1068 Ų685%0.05237%0.365CS..Hα-helixtrans-62.3-36.5174.4-179.567.1000112.8T147 L152 K153 E197 L200 M201 E204T147-L149 HydrophobicContact CG2-CB 4.47Å; T147-L149 PolarHBondContact O-N 3Å; L149-L152 PolarHBondContact O-N 3.4Å; L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.35Å; L149-K153 WeakPolarHBondContact O-CG 3.45Å; L149-K153 PolarHBondContact O-N 2.92Å; L149-E197 HydrophobicContact CD1-CG 4.04Å; L149-L200 HydrophobicContact CD1-CB 4.13Å; L149-M201 HydrophobicContact CD1-CG 3.97Å; L149-M201 HydrophobicContact CD1-SD 3.99Å; L149-M201 HydrophobicContact CD2-CG 4.31Å; L149-M201 HydrophobicContact CD2-SD 3.32Å; L149-M201 WeakPolarHBondContact CD2-SD 3.41Å; L149-M201 HydrophobicContact CG-SD 4.26Å; L149-E204 VanDerWaalsContact CB-OE1 3.31Å; L149-E204 WeakPolarHBondContact CB-OE1 3.42Å; L149-E204 WeakPolarHBondContact CD2-OE2 3.47Å
150G71.7Confident67.8Low38 Ų3866.6 Ų66.639%0.39236%0.363SS..Hα-helixtrans-62.5-43.4176.700000112.1T147 S148 K153 A154T147-G150 WeakPolarHBondContact O-CA 3.49Å; T147-G150 PolarHBondContact O-N 3.29Å; S148-G150 VanDerWaalsContact C-N 3.31Å; S148-G150 PolarHBondContact O-N 3.41Å; G150-K153 PolarHBondContact O-N 3.09Å; G150-A154 PolarHBondContact O-N 3.04Å
151Y71.6Confident69.2Low30 Ų3066.1 Ų66.112%0.11836%0.361CS..Hα-helixtrans-62.6-44172.9-83.6-74.3000113.2A104 Y108 Y139 P146 T147 S148 K153 A154 S155A104-Y151 HydrophobicContact CB-CD1 3.9Å; A104-Y151 HydrophobicContact CB-CE1 4Å; A104-Y151 HydrophobicContact CB-CG 4.5Å; Y108-Y151 HydrophobicContact CD2-CE2 4.45Å; Y108-Y151 HydrophobicContact CE2-CD2 4.22Å; Y108-Y151 AromaticContact CE2-CE2 3.23Å; Y108-Y151 HydrophobicContact CE2-CE2 3.23Å; Y108-Y151 AromaticContact CE2-CZ 3.77Å; Y108-Y151 AromaticContact CZ-CE2 3.4Å; Y108-Y151 VanDerWaalsContact CZ-CE2 3.4Å; Y108-Y151 AromaticContact CZ-CZ 3.84Å; Y108-Y151 WeakPolarHBondContact OH-CE2 3.47Å; Y108-Y151 PolarHBondContact OH-OH 3.49Å; Y139-Y151 WeakPolarHBondContact CE2-OH 3.29Å; Y139-Y151 PolarHBondContact OH-OH 2.94Å; P146-Y151 HydrophobicContact CB-CD2 4.12Å; P146-Y151 HydrophobicContact CB-CE2 3.56Å; P146-Y151 HydrophobicContact CG-CE2 4.24Å; T147-Y151 PolarHBondContact O-N 3.26Å; S148-Y151 PolarHBondContact O-N 3.35Å; Y151-K153 VanDerWaalsContact C-N 3.31Å; Y151-K153 PolarHBondContact O-N 2.76Å; Y151-A154 PolarHBondContact O-N 2.89Å; Y151-S155 WeakPolarHBondContact O-CB 3.39Å; Y151-S155 PolarHBondContact O-N 2.9Å; Y151-S155 PolarHBondContact O-OG 3.48Å
152L74.6Confident70.1Confident15 Ų1567 Ų678%0.07936%0.362CS..Hα-helixtrans-63.2-44.1-178.1-173.855.8000110.4S148 L149 A154 S155 V156 L193 E196 E197 L200S148-L152 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.4Å; L152-A154 PolarHBondContact O-N 2.75Å; L152-S155 PolarHBondContact O-N 3.33Å; L152-V156 HydrophobicContact CD1-CG2 4.46Å; L152-V156 WeakPolarHBondContact O-CB 3.41Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.36Å; L152-L193 HydrophobicContact CD1-CB 3.99Å; L152-L193 HydrophobicContact CD1-CD2 3.38Å; L152-L193 HydrophobicContact CD1-CG 4.24Å; L152-E196 HydrophobicContact CD2-CB 3.81Å; L152-E197 VanDerWaalsContact CD2-CA 3.41Å; L152-E197 HydrophobicContact CD2-CB 3.86Å; L152-E197 VanDerWaalsContact CD2-N 3.28Å; L152-E197 HydrophobicContact CG-CB 4.25Å; L152-L200 HydrophobicContact CD2-CD1 3.69Å
153K80.2Confident71.1Confident93 Ų9360 Ų6040%0.40433%0.332SS..Hα-helixtrans-58.6-44.3173.3-76.6176.6178.3177.40112.6L149 G150 Y151 S155 V156 K157 E197L149-K153 HydrophobicContact CG-CD 4.24Å; L149-K153 WeakPolarHBondContact O-CB 3.35Å; L149-K153 WeakPolarHBondContact O-CG 3.45Å; L149-K153 PolarHBondContact O-N 2.92Å; G150-K153 PolarHBondContact O-N 3.09Å; Y151-K153 VanDerWaalsContact C-N 3.31Å; Y151-K153 PolarHBondContact O-N 2.76Å; K153-S155 VanDerWaalsContact C-N 3.34Å; K153-V156 PolarHBondContact O-N 3.39Å; K153-K157 WeakPolarHBondContact O-CB 3.39Å; K153-K157 PolarHBondContact O-N 3.23Å; K153-E197 WeakPolarHBondContact CE-OE1 3.3Å; K153-E197 WeakPolarHBondContact CG-OE1 3.21Å
154A76.5Confident71.7Confident58 Ų5860 Ų6048%0.47933%0.332SS..Hα-helixtrans-63.4-40.8176.300000111.9G150 Y151 L152 K157 Q158G150-A154 PolarHBondContact O-N 3.04Å; Y151-A154 PolarHBondContact O-N 2.89Å; L152-A154 PolarHBondContact O-N 2.75Å; A154-K157 PolarHBondContact O-N 3.15Å; A154-Q158 WeakPolarHBondContact O-CB 3.34Å; A154-Q158 PolarHBondContact O-N 3.04Å
155S74.8Confident71.8Confident13 Ų1357.7 Ų57.79%0.09133%0.325CS..Hα-helixtrans-67.2-42.9179-55.30000111.8P101 Y151 L152 K153 K157 Q158 L159P101-S155 WeakPolarHBondContact CG-OG 3.19Å; Y151-S155 WeakPolarHBondContact O-CB 3.39Å; Y151-S155 PolarHBondContact O-N 2.9Å; Y151-S155 PolarHBondContact O-OG 3.48Å; L152-S155 PolarHBondContact O-N 3.33Å; K153-S155 VanDerWaalsContact C-N 3.34Å; S155-K157 VanDerWaalsContact C-N 3.35Å; S155-Q158 PolarHBondContact O-N 3.14Å; S155-L159 PolarHBondContact O-N 2.88Å
156V76.6Confident71.8Confident10 Ų1062.4 Ų62.46%0.06135%0.347CS..Hα-helixtrans-61.2-45.2173.6169.30000110.3L152 K153 L159 L160 L190 L193L152-V156 HydrophobicContact CD1-CG2 4.46Å; L152-V156 WeakPolarHBondContact O-CB 3.41Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.36Å; K153-V156 PolarHBondContact O-N 3.39Å; V156-L159 PolarHBondContact O-N 2.86Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.46Å; V156-L160 WeakPolarHBondContact O-CB 3.11Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.28Å; V156-L160 PolarHBondContact O-N 3.28Å; V156-L190 HydrophobicContact CG1-CD1 4.06Å; V156-L193 HydrophobicContact CG2-CB 3.63Å
157K80.3Confident71.3Confident129 Ų12963.7 Ų63.756%0.56136%0.357SS*.Hα-helixtrans-60.1-47176.8-177.5-179.1174-175.10111.7K153 A154 S155 L159 L160 E161K153-K157 WeakPolarHBondContact O-CB 3.39Å; K153-K157 PolarHBondContact O-N 3.23Å; A154-K157 PolarHBondContact O-N 3.15Å; S155-K157 VanDerWaalsContact C-N 3.35Å; K157-L159 PolarHBondContact O-N 2.99Å; K157-L160 WeakPolarHBondContact O-CB 3.22Å; K157-L160 PolarHBondContact O-N 3.15Å; K157-E161 WeakPolarHBondContact CE-OE1 3.04Å; K157-E161 WeakPolarHBondContact O-CG 3.38Å; K157-E161 PolarHBondContact O-N 2.86Å
158Q76.5Confident70.5Confident82 Ų8268.3 Ų68.338%0.38337%0.37SS..Hα-helixtrans-62.7-42.5179.2-173.1179.218.300112.1A154 S155 E161 N162A154-Q158 WeakPolarHBondContact O-CB 3.34Å; A154-Q158 PolarHBondContact O-N 3.04Å; S155-Q158 PolarHBondContact O-N 3.14Å; Q158-E161 PolarHBondContact O-N 2.95Å; Q158-N162 VanDerWaalsContact O-CG 3.28Å; Q158-N162 PolarHBondContact O-N 3.49Å; Q158-N162 PolarHBondContact O-OD1 3.26Å
159L73.4Confident69.6Low17 Ų1770.4 Ų70.49%0.08939%0.385CS..Hα-helixtrans-67.3-36.4176.2-76.4173.3000112.7S155 V156 K157 E161 N162 L163 M186 R189 L193S155-L159 PolarHBondContact O-N 2.88Å; V156-L159 PolarHBondContact O-N 2.86Å; K157-L159 PolarHBondContact O-N 2.99Å; L159-E161 VanDerWaalsContact C-N 3.32Å; L159-N162 PolarHBondContact O-N 3.02Å; L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.31Å; L159-M186 HydrophobicContact CD2-SD 3.84Å; L159-R189 HydrophobicContact CD1-CG 3.91Å; L159-L193 HydrophobicContact CD1-CD1 3.19Å
160L81Confident68.3Low63 Ų6377.5 Ų77.533%0.3342%0.422SS..Hα-helixtrans-64.8-36.6173.3-77.5165.8000112.2V156 K157 N164 L190V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.46Å; V156-L160 WeakPolarHBondContact O-CB 3.11Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.28Å; V156-L160 PolarHBondContact O-N 3.28Å; K157-L160 WeakPolarHBondContact O-CB 3.22Å; K157-L160 PolarHBondContact O-N 3.15Å; L160-N164 PolarHBondContact O-N 3.47Å; L160-N164 PolarHBondContact O-ND2 2.88Å; L160-N164 VanDerWaalsContact O-ND2 3.08Å; L160-L190 HydrophobicContact CD2-CD1 4.15Å; L160-L190 HydrophobicContact CD2-CD2 3.69Å; L160-L190 HydrophobicContact CG-CD1 3.93Å; L160-L190 HydrophobicContact CG-CD2 4.35Å
161E75.3Confident67.1Low95 Ų9579.8 Ų79.844%0.44443%0.432SS..Hα-helixtrans-65.8-42.5173.4-74.1174.1-175.200110.9K157 Q158 L159 L163 N164K157-E161 WeakPolarHBondContact CE-OE1 3.04Å; K157-E161 WeakPolarHBondContact O-CG 3.38Å; K157-E161 PolarHBondContact O-N 2.86Å; Q158-E161 PolarHBondContact O-N 2.95Å; L159-E161 VanDerWaalsContact C-N 3.32Å; E161-L163 PolarHBondContact O-N 2.88Å; E161-N164 PolarHBondContact O-N 3.41Å
162N71Confident65.8Low106 Ų10683.5 Ų83.557%0.56745%0.454SS*.Hα-helixtrans-66.8-34.3177.5-68.5-11.7000113.5Q158 L159 N164Q158-N162 VanDerWaalsContact O-CG 3.28Å; Q158-N162 PolarHBondContact O-N 3.49Å; Q158-N162 PolarHBondContact O-OD1 3.26Å; L159-N162 PolarHBondContact O-N 3.02Å; N162-N164 VanDerWaalsContact C-N 3.3Å
163L70.9Confident64.4Low33 Ų3390.8 Ų90.817%0.17349%0.487CS..Hα-helixtrans-76.4-16.1178.1-76.5165.5000113.1L159 E161 P165 M186 E187 L190L159-L163 WeakPolarHBondContact O-CB 3.43Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.31Å; E161-L163 PolarHBondContact O-N 2.88Å; L163-P165 WeakPolarHBondContact O-CD 3.28Å; L163-M186 HydrophobicContact CD2-CB 3.86Å; L163-M186 HydrophobicContact CG-CB 4.43Å; L163-E187 HydrophobicContact CD2-CG 4.29Å; L163-L190 HydrophobicContact CD1-CB 4.28Å; L163-L190 HydrophobicContact CD1-CD2 3.69Å
164N68.9Low62.9Low94 Ų9493.6 Ų93.650%0.50350%0.502SS..  trans-96.897.5177.5-85.2-49.4000110.5L160 E161 N162 N166 S167L160-N164 PolarHBondContact O-N 3.47Å; L160-N164 PolarHBondContact O-ND2 2.88Å; L160-N164 VanDerWaalsContact O-ND2 3.08Å; E161-N164 PolarHBondContact O-N 3.41Å; N162-N164 VanDerWaalsContact C-N 3.3Å; N164-N166 PolarHBondContact O-N 3.33Å; N164-N166 VanDerWaalsContact O-N 3.11Å; N164-S167 PolarHBondContact O-N 2.96Å; N164-S167 PolarHBondContact O-OG 2.98Å
165P57.8Low61.6Low101 Ų10193.5 Ų93.566%0.65650%0.497SS*.THydrogen-bonded Turntrans-64.9-18.6-179.226.8-35.7000113.3L163 S167L163-P165 WeakPolarHBondContact O-CD 3.28Å; P165-S167 VanDerWaalsContact C-N 3.33Å; P165-S167 PolarHBondContact O-N 2.62Å
166N57.2Low60.5Low161 Ų16199.2 Ų99.286%0.86153%0.526SS*.THydrogen-bonded Turntrans-79.6-11-175.7-69.1-14.1000113.9N164N164-N166 PolarHBondContact O-N 3.33Å; N164-N166 VanDerWaalsContact O-N 3.11Å
167S51.2Low59.4Low57 Ų57107.4 Ų107.440%0.39956%0.561SS.*SBendtrans-101.499.9-178.550.60000112.1N164 P165N164-S167 PolarHBondContact O-N 2.96Å; N164-S167 PolarHBondContact O-OG 2.98Å; P165-S167 VanDerWaalsContact C-N 3.33Å; P165-S167 PolarHBondContact O-N 2.62Å
168K51.3Low58.6Low177 Ų177104.2 Ų104.277%0.7755%0.55SS*.  trans80.879.3157.8-55.3174.3-179.4173.80117.9L170K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 2.87Å
169S46.5Very low58.4Low97 Ų97103 Ų10368%0.67855%0.551SS**SBend33.612.7124.876.90000124.4
170L46.8Very low58.5Low159 Ų159106.9 Ų106.983%0.83258%0.577SS**SBendtrans-125.92.1-175.4-103.8140.5000117.4K168K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 2.87Å
171S46.3Very low58.3Low86 Ų86108.6 Ų108.660%0.60159%0.589SS**  trans-151.358.5168.3650000112.2H173 H174S171-H173 PolarHBondContact O-N 3.3Å; S171-H174 PolarHBondContact O-N 3.29Å
172N45.7Very low58.5Low108 Ų108108.3 Ų108.358%0.57859%0.588SS**THydrogen-bonded Turntrans-644.3-176.2-75.1-9.2000115.9
173H45.2Very low58.9Low167 Ų167106 Ų10677%0.77357%0.574SS**THydrogen-bonded Turntrans-104.6-22.9176.8-68.7-63.5000114.5S171S171-H173 PolarHBondContact O-N 3.3Å
174H46.8Very low59.3Low153 Ų153109.4 Ų109.471%0.70859%0.592SS**THydrogen-bonded Turntrans-84.6-32-178.3-103.3-55.2000113.5S171 L176 F177S171-H174 PolarHBondContact O-N 3.29Å; H174-L176 VanDerWaalsContact C-N 3.31Å; H174-L176 PolarHBondContact O-N 3.33Å; H174-F177 PolarHBondContact O-N 2.96Å
175S50Low59.9Low55 Ų55109.8 Ų109.839%0.38559%0.594SS.*G310 helixtrans-68.4-30.4-177.966.10000112.9F177 I178S175-F177 PolarHBondContact O-N 3.47Å; S175-I178 PolarHBondContact O-N 3.46Å
176L52Low60.9Low133 Ų133106.2 Ų106.270%0.69657%0.568SS**G310 helixtrans-69-18-178.3-68.7173.3000113.3H174H174-L176 VanDerWaalsContact C-N 3.31Å; H174-L176 PolarHBondContact O-N 3.33Å
177F53.3Low62.1Low182 Ų182102.1 Ų102.180%0.79854%0.544SS*.G310 helixtrans-128.438178.4-64.5-76.2000112.3H174 S175 S179H174-F177 PolarHBondContact O-N 2.96Å; S175-F177 PolarHBondContact O-N 3.47Å; F177-S179 PolarHBondContact O-N 3.36Å
178I63.6Low63.7Low63 Ų63102 Ų10232%0.32355%0.546SS..  trans-66.9111.3166.9-66.4171.8000107.4S175 H182 Q183S175-I178 PolarHBondContact O-N 3.46Å; I178-H182 HydrophobicContact CG2-CB 4.01Å; I178-Q183 HydrophobicContact CG2-CB 3.95Å
179S72Confident65.2Low57 Ų5798.5 Ų98.540%0.39953%0.528SS..  trans-50.9135.1172.5170.20000109.4F177 V181 H182 Q183F177-S179 PolarHBondContact O-N 3.36Å; S179-V181 PolarHBondContact O-N 3.15Å; S179-V181 PolarHBondContact OG-N 3.48Å; S179-H182 WeakPolarHBondContact O-CA 3.13Å; S179-H182 WeakPolarHBondContact O-CB 3.36Å; S179-H182 PolarHBondContact O-N 3.11Å; S179-Q183 PolarHBondContact O-N 2.98Å
180P75.4Confident67Low98 Ų9894.8 Ų94.864%0.63650%0.501SS*.Hα-helixtrans-50.7-32174.5-28.335.2000112.9N184P180-N184 WeakPolarHBondContact O-CB 3.45Å; P180-N184 PolarHBondContact O-N 3.38Å; P180-N184 PolarHBondContact O-ND2 3.08Å
181V78.3Confident68.9Low98 Ų9894.2 Ų94.259%0.59449%0.492SS*.Hα-helixtrans-65.6-43.6174.3-178.60000111.4S179 N184 L185S179-V181 PolarHBondContact O-N 3.15Å; S179-V181 PolarHBondContact OG-N 3.48Å; V181-N184 PolarHBondContact O-N 3.26Å; V181-L185 WeakPolarHBondContact O-CB 2.99Å; V181-L185 PolarHBondContact O-N 2.92Å
182H78.5Confident70.8Confident90 Ų9095.7 Ų95.742%0.41748%0.484SS..Hα-helixtrans-66.3-41.2177.8-173.784.7000111.7I178 S179 L185 M186I178-H182 HydrophobicContact CG2-CB 4.01Å; S179-H182 WeakPolarHBondContact O-CA 3.13Å; S179-H182 WeakPolarHBondContact O-CB 3.36Å; S179-H182 PolarHBondContact O-N 3.11Å; H182-L185 WeakPolarHBondContact O-CB 3.08Å; H182-L185 PolarHBondContact O-N 2.95Å; H182-M186 WeakPolarHBondContact O-CG 3.21Å; H182-M186 PolarHBondContact O-N 2.81Å
183Q78.3Confident72.6Confident58 Ų5891.4 Ų91.427%0.27146%0.461SS..Hα-helixtrans-58.9-50.2175-176.962.917.500111.1I178 S179 L185 M186 E187I178-Q183 HydrophobicContact CG2-CB 3.95Å; S179-Q183 PolarHBondContact O-N 2.98Å; Q183-L185 VanDerWaalsContact C-N 3.28Å; Q183-L185 PolarHBondContact O-N 3.44Å; Q183-M186 PolarHBondContact O-N 2.77Å; Q183-E187 PolarHBondContact NE2-OE1 2.66Å; Q183-E187 WeakPolarHBondContact O-CG 3.45Å; Q183-E187 PolarHBondContact O-N 2.64Å
184N81.1Confident74.5Confident103 Ų10387.9 Ų87.955%0.55144%0.443SS*.Hα-helixtrans-59.3-39.2176.8-72.3-22000112.2P180 V181 E187 A188P180-N184 WeakPolarHBondContact O-CB 3.45Å; P180-N184 PolarHBondContact O-N 3.38Å; P180-N184 PolarHBondContact O-ND2 3.08Å; V181-N184 PolarHBondContact O-N 3.26Å; N184-E187 PolarHBondContact O-N 2.83Å; N184-A188 VanDerWaalsContact O-CB 3.31Å; N184-A188 WeakPolarHBondContact O-CB 3.3Å; N184-A188 PolarHBondContact O-N 2.99Å
185L80.9Confident76.4Confident103 Ų10385.5 Ų85.554%0.53944%0.435SS..Hα-helixtrans-64.2-44.2176.3-178.565.5000111.8V181 H182 Q183 A188 R189V181-L185 WeakPolarHBondContact O-CB 2.99Å; V181-L185 PolarHBondContact O-N 2.92Å; H182-L185 WeakPolarHBondContact O-CB 3.08Å; H182-L185 PolarHBondContact O-N 2.95Å; Q183-L185 VanDerWaalsContact C-N 3.28Å; Q183-L185 PolarHBondContact O-N 3.44Å; L185-A188 PolarHBondContact O-N 3.33Å; L185-R189 VanDerWaalsContact O-CB 3.3Å; L185-R189 WeakPolarHBondContact O-CB 3.31Å; L185-R189 PolarHBondContact O-N 2.97Å
186M77.6Confident77.9Confident25 Ų2585.6 Ų85.612%0.12343%0.43CS..Hα-helixtrans-65-40.3177.8-70-55.6101.100111.7L159 L163 H182 Q183 R189 L190L159-M186 HydrophobicContact CD2-SD 3.84Å; L163-M186 HydrophobicContact CD2-CB 3.86Å; L163-M186 HydrophobicContact CG-CB 4.43Å; H182-M186 WeakPolarHBondContact O-CG 3.21Å; H182-M186 PolarHBondContact O-N 2.81Å; Q183-M186 PolarHBondContact O-N 2.77Å; M186-R189 PolarHBondContact O-N 3.18Å; M186-L190 WeakPolarHBondContact O-CB 3.36Å; M186-L190 PolarHBondContact O-N 3.41Å
187E84.2Confident79.5Confident76 Ų7681.5 Ų81.536%0.35541%0.407SS..Hα-helixtrans-65.5-43.5175.1-71.9179.5-16400112.5L163 Q183 N184 R189 L190 K191L163-E187 HydrophobicContact CD2-CG 4.29Å; Q183-E187 PolarHBondContact NE2-OE1 2.66Å; Q183-E187 WeakPolarHBondContact O-CG 3.45Å; Q183-E187 PolarHBondContact O-N 2.64Å; N184-E187 PolarHBondContact O-N 2.83Å; E187-R189 VanDerWaalsContact C-N 3.34Å; E187-L190 PolarHBondContact O-N 2.9Å; E187-K191 WeakPolarHBondContact O-CG 3.43Å; E187-K191 PolarHBondContact O-N 3.31Å
188A83.3Confident81.1Confident54 Ų5480.2 Ų80.245%0.44640%0.401SS..Hα-helixtrans-61.7-43.6174.800000111.2N184 L185 L190 K191 R192N184-A188 VanDerWaalsContact O-CB 3.31Å; N184-A188 WeakPolarHBondContact O-CB 3.3Å; N184-A188 PolarHBondContact O-N 2.99Å; L185-A188 PolarHBondContact O-N 3.33Å; A188-L190 PolarHBondContact O-N 3.47Å; A188-K191 PolarHBondContact O-N 2.74Å; A188-R192 PolarHBondContact O-N 2.83Å
189R83.1Confident82Confident104 Ų10482.9 Ų82.939%0.39241%0.414SS..Hα-helixtrans-60.8-43.8175.2-171.4175.8-175.1159.35.7111.5L159 L185 M186 E187 K191 R192 L193L159-R189 HydrophobicContact CD1-CG 3.91Å; L185-R189 VanDerWaalsContact O-CB 3.3Å; L185-R189 WeakPolarHBondContact O-CB 3.31Å; L185-R189 PolarHBondContact O-N 2.97Å; M186-R189 PolarHBondContact O-N 3.18Å; E187-R189 VanDerWaalsContact C-N 3.34Å; R189-K191 PolarHBondContact O-N 3.32Å; R189-R192 PolarHBondContact O-N 3.5Å; R189-L193 HydrophobicContact CG-CD1 4.03Å; R189-L193 HydrophobicContact CG-CG 4.49Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3Å; R189-L193 PolarHBondContact O-N 3.43Å
190L83.8Confident82.4Confident19 Ų1982.9 Ų82.910%0.09941%0.409CS..Hα-helixtrans-61.9-43.8176.2-179.765.9000111.8V156 L160 L163 M186 E187 A188 R192 L193 K194V156-L190 HydrophobicContact CG1-CD1 4.06Å; L160-L190 HydrophobicContact CD2-CD1 4.15Å; L160-L190 HydrophobicContact CD2-CD2 3.69Å; L160-L190 HydrophobicContact CG-CD1 3.93Å; L160-L190 HydrophobicContact CG-CD2 4.35Å; L163-L190 HydrophobicContact CD1-CB 4.28Å; L163-L190 HydrophobicContact CD1-CD2 3.69Å; M186-L190 WeakPolarHBondContact O-CB 3.36Å; M186-L190 PolarHBondContact O-N 3.41Å; E187-L190 PolarHBondContact O-N 2.9Å; A188-L190 PolarHBondContact O-N 3.47Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.92Å; L190-L193 PolarHBondContact O-N 3.17Å; L190-K194 HydrophobicContact CD1-CG 4.47Å; L190-K194 HydrophobicContact CG-CD 4.37Å; L190-K194 WeakPolarHBondContact O-CG 3.31Å; L190-K194 PolarHBondContact O-N 2.94Å
191K87.2Confident82.9Confident147 Ų14782.3 Ų82.364%0.63940%0.399SS*.Hα-helixtrans-59.7-44.9176.7-73.9172.3-175.9170.40111.3E187 A188 R189 K194 L195E187-K191 WeakPolarHBondContact O-CG 3.43Å; E187-K191 PolarHBondContact O-N 3.31Å; A188-K191 PolarHBondContact O-N 2.74Å; R189-K191 PolarHBondContact O-N 3.32Å; K191-K194 PolarHBondContact O-N 3.24Å; K191-L195 PolarHBondContact O-N 2.99Å
192R86.5Confident83.3Confident117 Ų11783.6 Ų83.644%0.44240%0.398SS..Hα-helixtrans-59.7-51176179.3-178.3166.9-173-5111.8E99 A188 R189 L190 K194 L195 E196E99-R192 VanDerWaalsContact CD-NH1 3.29Å; E99-R192 IonicContact OE1-CZ 2.84Å; E99-R192 IonicContact OE1-NH1 3.19Å; E99-R192 PolarHBondContact OE1-NH1 2.74Å; E99-R192 IonicContact OE1-NH2 2.98Å; E99-R192 IonicContact OE2-CZ 3.01Å; E99-R192 IonicContact OE2-NH1 2.8Å; E99-R192 PolarHBondContact OE2-NH1 3.26Å; E99-R192 IonicContact OE2-NH2 3.36Å; E99-R192 PolarHBondContact OE2-NH2 3.04Å; A188-R192 PolarHBondContact O-N 2.83Å; R189-R192 PolarHBondContact O-N 3.5Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 2.92Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.24Å; R192-L195 WeakPolarHBondContact O-CA 3.39Å; R192-L195 WeakPolarHBondContact O-CB 3.45Å; R192-L195 PolarHBondContact O-N 2.81Å; R192-E196 IonicContact CZ-OE1 3.97Å; R192-E196 IonicContact NE-OE1 2.87Å; R192-E196 PolarHBondContact NE-OE1 2.76Å; R192-E196 IonicContact NH2-OE1 2.98Å; R192-E196 PolarHBondContact NH2-OE1 3.27Å; R192-E196 PolarHBondContact O-N 3.36Å
193L82.5Confident83.4Confident18 Ų1881.9 Ų81.99%0.09440%0.4CS..Hα-helixtrans-63.9-36.3-178.2-67.3166.5000112.6L152 V156 L159 R189 L190 L195 E196 E197L152-L193 HydrophobicContact CD1-CB 3.99Å; L152-L193 HydrophobicContact CD1-CD2 3.38Å; L152-L193 HydrophobicContact CD1-CG 4.24Å; V156-L193 HydrophobicContact CG2-CB 3.63Å; L159-L193 HydrophobicContact CD1-CD1 3.19Å; R189-L193 HydrophobicContact CG-CD1 4.03Å; R189-L193 HydrophobicContact CG-CG 4.49Å; R189-L193 VanDerWaalsContact O-CG 3.28Å; R189-L193 WeakPolarHBondContact O-CG 3Å; R189-L193 PolarHBondContact O-N 3.43Å; L190-L193 PolarHBondContact O-N 3.17Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.41Å; L193-E196 PolarHBondContact O-N 2.94Å; L193-E197 WeakPolarHBondContact O-CB 3.23Å; L193-E197 PolarHBondContact O-N 3.09Å
194K86.1Confident83.7Confident92 Ų9282.3 Ų82.340%0.440%0.402SS..Hα-helixtrans-64.6-32.1173.3-76.1-179.6176.5-179.80112.8L190 K191 R192 K198L190-K194 HydrophobicContact CD1-CG 4.47Å; L190-K194 HydrophobicContact CG-CD 4.37Å; L190-K194 WeakPolarHBondContact O-CG 3.31Å; L190-K194 PolarHBondContact O-N 2.94Å; K191-K194 PolarHBondContact O-N 3.24Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.24Å; K194-K198 WeakPolarHBondContact O-CG 3.13Å; K194-K198 PolarHBondContact O-N 3.49Å
195L86.2Confident84Confident103 Ų10384.4 Ų84.454%0.53941%0.406SS..Hα-helixtrans-70.9-47.7174.9-178.7152.7000110.3K191 R192 L193 E197 K198 M199K191-L195 PolarHBondContact O-N 2.99Å; R192-L195 WeakPolarHBondContact O-CA 3.39Å; R192-L195 WeakPolarHBondContact O-CB 3.45Å; R192-L195 PolarHBondContact O-N 2.81Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.41Å; L195-E197 PolarHBondContact O-N 3.25Å; L195-K198 PolarHBondContact O-N 3.4Å; L195-M199 HydrophobicContact CD2-CG 4.2Å; L195-M199 HydrophobicContact CD2-SD 3.49Å; L195-M199 WeakPolarHBondContact CD2-SD 3.4Å; L195-M199 WeakPolarHBondContact O-CG 3.42Å; L195-M199 PolarHBondContact O-N 3.4Å
196E83Confident84.3Confident57 Ų5784.4 Ų84.427%0.26641%0.406SS..Hα-helixtrans-58.7-37.7175.6-70174.1-173.200111.6L152 R192 L193 K198 M199 L200L152-E196 HydrophobicContact CD2-CB 3.81Å; R192-E196 IonicContact CZ-OE1 3.97Å; R192-E196 IonicContact NE-OE1 2.87Å; R192-E196 PolarHBondContact NE-OE1 2.76Å; R192-E196 IonicContact NH2-OE1 2.98Å; R192-E196 PolarHBondContact NH2-OE1 3.27Å; R192-E196 PolarHBondContact O-N 3.36Å; L193-E196 PolarHBondContact O-N 2.94Å; E196-K198 PolarHBondContact O-N 2.72Å; E196-M199 PolarHBondContact O-N 2.68Å; E196-L200 PolarHBondContact O-N 3.19Å
197E84Confident84.5Confident48 Ų4886.5 Ų86.522%0.22442%0.417CS..Hα-helixtrans-62.2-45.6177.7-177-176.8-165.900111.1L149 L152 K153 L193 L195 M199 L200 M201L149-E197 HydrophobicContact CD1-CG 4.04Å; L152-E197 VanDerWaalsContact CD2-CA 3.41Å; L152-E197 HydrophobicContact CD2-CB 3.86Å; L152-E197 VanDerWaalsContact CD2-N 3.28Å; L152-E197 HydrophobicContact CG-CB 4.25Å; K153-E197 WeakPolarHBondContact CE-OE1 3.3Å; K153-E197 WeakPolarHBondContact CG-OE1 3.21Å; L193-E197 WeakPolarHBondContact O-CB 3.23Å; L193-E197 PolarHBondContact O-N 3.09Å; L195-E197 PolarHBondContact O-N 3.25Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 2.74Å; E197-L200 PolarHBondContact O-N 2.96Å; E197-M201 WeakPolarHBondContact O-CB 3.48Å; E197-M201 WeakPolarHBondContact O-CG 3.38Å; E197-M201 PolarHBondContact O-N 3.38Å
198K86.8Confident84.7Confident155 Ų15588 Ų8867%0.67443%0.426SS*.Hα-helixtrans-62.5-41.1176.3-70.1172.9-178-177.50111.7K194 L195 E196 Q202K194-K198 WeakPolarHBondContact O-CG 3.13Å; K194-K198 PolarHBondContact O-N 3.49Å; L195-K198 PolarHBondContact O-N 3.4Å; E196-K198 PolarHBondContact O-N 2.72Å; K198-Q202 WeakPolarHBondContact O-CB 3.44Å; K198-Q202 PolarHBondContact O-N 3.33Å
199M83.5Confident85Confident119 Ų11989.7 Ų89.759%0.58643%0.427SS*.Hα-helixtrans-63.6-46.4177.6-70.2-178.267.800111.8L195 E196 E197 Q202 A203L195-M199 HydrophobicContact CD2-CG 4.2Å; L195-M199 HydrophobicContact CD2-SD 3.49Å; L195-M199 WeakPolarHBondContact CD2-SD 3.4Å; L195-M199 WeakPolarHBondContact O-CG 3.42Å; L195-M199 PolarHBondContact O-N 3.4Å; E196-M199 PolarHBondContact O-N 2.68Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 2.74Å; M199-Q202 PolarHBondContact O-N 3.03Å; M199-A203 WeakPolarHBondContact O-CB 3.45Å; M199-A203 PolarHBondContact O-N 3.49Å
200L80.7Confident85.2Confident56 Ų5687.2 Ų87.229%0.29342%0.42SS..Hα-helixtrans-64.5-43177.5-75179.7000112L149 L152 E196 E197 Q202 A203 E204L149-L200 HydrophobicContact CD1-CB 4.13Å; L152-L200 HydrophobicContact CD2-CD1 3.69Å; E196-L200 PolarHBondContact O-N 3.19Å; E197-L200 PolarHBondContact O-N 2.96Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 3.03Å; L200-A203 PolarHBondContact O-N 3.25Å; L200-E204 WeakPolarHBondContact O-CG 3.12Å; L200-E204 PolarHBondContact O-N 2.82Å
201M85.9Confident85.2Confident86 Ų8693.9 Ų93.942%0.42444%0.444SS..Hα-helixtrans-57.3-41.5174.2-75.4-68.6-50.800111.9L149 E197 K205L149-M201 HydrophobicContact CD1-CG 3.97Å; L149-M201 HydrophobicContact CD1-SD 3.99Å; L149-M201 HydrophobicContact CD2-CG 4.31Å; L149-M201 HydrophobicContact CD2-SD 3.32Å; L149-M201 WeakPolarHBondContact CD2-SD 3.41Å; L149-M201 HydrophobicContact CG-SD 4.26Å; E197-M201 WeakPolarHBondContact O-CB 3.48Å; E197-M201 WeakPolarHBondContact O-CG 3.38Å; E197-M201 PolarHBondContact O-N 3.38Å; M201-K205 WeakPolarHBondContact O-CB 3.08Å; M201-K205 PolarHBondContact O-N 2.71Å
202Q86Confident85.2Confident125 Ų12593.2 Ų93.258%0.58445%0.446SS*.Hα-helixtrans-69.1-40.7177.3-174.8173.7-100111.8K198 M199 L200 K205 L206K198-Q202 WeakPolarHBondContact O-CB 3.44Å; K198-Q202 PolarHBondContact O-N 3.33Å; M199-Q202 PolarHBondContact O-N 3.03Å; L200-Q202 VanDerWaalsContact C-N 3.27Å; L200-Q202 PolarHBondContact O-N 3.03Å; Q202-K205 PolarHBondContact O-N 2.76Å; Q202-L206 HydrophobicContact CG-CD1 4.41Å; Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.73Å
203A80.8Confident85.3Confident54 Ų5490.6 Ų90.645%0.44644%0.436SS..Hα-helixtrans-63.6-45.7176.300000111.8M199 L200 K205 L206 D207M199-A203 WeakPolarHBondContact O-CB 3.45Å; M199-A203 PolarHBondContact O-N 3.49Å; L200-A203 PolarHBondContact O-N 3.25Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.45Å; A203-L206 PolarHBondContact O-N 3.26Å; A203-D207 WeakPolarHBondContact O-CB 3.28Å; A203-D207 PolarHBondContact O-N 3.43Å
204E83.6Confident85.6Confident68 Ų6897.6 Ų97.632%0.31847%0.465SS..Hα-helixtrans-60.4-41.8174.5-76.1-174.7177.300111.5T147 L149 L200 L206 D207 M208T147-E204 WeakPolarHBondContact CG2-OE1 3.16Å; L149-E204 VanDerWaalsContact CB-OE1 3.31Å; L149-E204 WeakPolarHBondContact CB-OE1 3.42Å; L149-E204 WeakPolarHBondContact CD2-OE2 3.47Å; L200-E204 WeakPolarHBondContact O-CG 3.12Å; L200-E204 PolarHBondContact O-N 2.82Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.31Å; E204-D207 PolarHBondContact O-N 2.82Å; E204-M208 WeakPolarHBondContact O-CB 3.21Å; E204-M208 VanDerWaalsContact O-CG 3.23Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 2.9Å
205K88.5Confident85.8Confident146 Ų14694.3 Ų94.364%0.63545%0.454SS*.Hα-helixtrans-60.2-44.8174.8-178179.4177.5-179.50111.5M201 Q202 A203 M208 L209M201-K205 WeakPolarHBondContact O-CB 3.08Å; M201-K205 PolarHBondContact O-N 2.71Å; Q202-K205 PolarHBondContact O-N 2.76Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.45Å; K205-M208 PolarHBondContact O-N 3.27Å; K205-L209 HydrophobicContact CG-CD1 4.28Å; K205-L209 WeakPolarHBondContact O-CB 3.15Å; K205-L209 VanDerWaalsContact O-CG 3.25Å; K205-L209 WeakPolarHBondContact O-CG 3.13Å; K205-L209 PolarHBondContact O-N 3.1Å
206L86.2Confident86Confident103 Ų10392.7 Ų92.754%0.53945%0.445SS..Hα-helixtrans-66.1-40.6178.2-72.5173.1000111.9Q202 A203 E204 L209 E210Q202-L206 HydrophobicContact CG-CD1 4.41Å; Q202-L206 WeakPolarHBondContact O-CG 3.34Å; Q202-L206 PolarHBondContact O-N 2.73Å; A203-L206 PolarHBondContact O-N 3.26Å; E204-L206 VanDerWaalsContact C-N 3.34Å; E204-L206 PolarHBondContact O-N 3.31Å; L206-L209 PolarHBondContact O-N 3.31Å; L206-E210 WeakPolarHBondContact O-CB 3.49Å; L206-E210 PolarHBondContact O-N 3.32Å
207D83.8Confident86.4Confident69 Ų6995.7 Ų95.737%0.36947%0.469SS..Hα-helixtrans-63.9-42.9175.6-176.449.4000111.4A203 E204 L209 E210 R211A203-D207 WeakPolarHBondContact O-CB 3.28Å; A203-D207 PolarHBondContact O-N 3.43Å; E204-D207 PolarHBondContact O-N 2.82Å; D207-L209 PolarHBondContact O-N 3.47Å; D207-E210 PolarHBondContact O-N 3.36Å; D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.49Å; D207-R211 PolarHBondContact O-N 3.01Å; D207-R211 IonicContact OD1-NE 2.62Å; D207-R211 IonicContact OD2-CZ 3.08Å; D207-R211 IonicContact OD2-NE 3.05Å; D207-R211 PolarHBondContact OD2-NE 2.69Å; D207-R211 IonicContact OD2-NH2 3.72Å; D207-R211 PolarHBondContact OD2-NH2 3.43Å
208M86.4Confident86.7Confident109 Ų109100 Ų10054%0.53749%0.487SS..Hα-helixtrans-61.6-44.5174.2-73.9-67.3-67.800112E204 K205 E210 R211 I212E204-M208 WeakPolarHBondContact O-CB 3.21Å; E204-M208 VanDerWaalsContact O-CG 3.23Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 2.9Å; K205-M208 PolarHBondContact O-N 3.27Å; M208-E210 VanDerWaalsContact C-N 3.31Å; M208-E210 PolarHBondContact O-N 2.89Å; M208-R211 PolarHBondContact O-N 3.11Å; M208-I212 PolarHBondContact O-N 3.41Å
209L91Very high86.9Confident88 Ų8894.8 Ų94.846%0.46146%0.463SS..Hα-helixtrans-62-40.5174.7-73.8174.4000111.5K205 L206 D207 I212 R213K205-L209 HydrophobicContact CG-CD1 4.28Å; K205-L209 WeakPolarHBondContact O-CB 3.15Å; K205-L209 VanDerWaalsContact O-CG 3.25Å; K205-L209 WeakPolarHBondContact O-CG 3.13Å; K205-L209 PolarHBondContact O-N 3.1Å; L206-L209 PolarHBondContact O-N 3.31Å; D207-L209 PolarHBondContact O-N 3.47Å; L209-I212 HydrophobicContact CD2-CD1 4.04Å; L209-I212 WeakPolarHBondContact O-CG1 3.3Å; L209-I212 PolarHBondContact O-N 3.48Å; L209-R213 WeakPolarHBondContact O-CB 3.21Å; L209-R213 PolarHBondContact O-N 2.9Å
210E86.9Confident87.3Confident53 Ų5396.3 Ų96.325%0.24846%0.464CS..Hα-helixtrans-65-43.6176.7-177.248.4-134.900110.5L206 D207 M208 I212 R213 Y229 K233L206-E210 WeakPolarHBondContact O-CB 3.49Å; L206-E210 PolarHBondContact O-N 3.32Å; D207-E210 PolarHBondContact O-N 3.36Å; M208-E210 VanDerWaalsContact C-N 3.31Å; M208-E210 PolarHBondContact O-N 2.89Å; E210-I212 PolarHBondContact O-N 3.45Å; E210-R213 WeakPolarHBondContact O-CB 3.36Å; E210-R213 PolarHBondContact O-N 3.17Å; E210-R213 IonicContact OE1-CZ 3.27Å; E210-R213 VanDerWaalsContact OE1-CZ 3.27Å; E210-R213 IonicContact OE1-NE 3.11Å; E210-R213 PolarHBondContact OE1-NE 2.88Å; E210-R213 VanDerWaalsContact OE1-NE 3.11Å; E210-R213 IonicContact OE1-NH2 2.65Å; E210-R213 PolarHBondContact OE1-NH2 2.96Å; E210-R213 IonicContact OE2-CZ 3.64Å; E210-R213 IonicContact OE2-NE 2.83Å; E210-R213 PolarHBondContact OE2-NE 3.26Å; E210-R213 IonicContact OE2-NH2 3.56Å; E210-Y229 WeakPolarHBondContact OE1-CE1 3.31Å; E210-K233 PolarHBondContact O-NZ 3.19Å; E210-K233 IonicContact OE1-NZ 3.85Å; E210-K233 PolarHBondContact OE1-NZ 2.82Å; E210-K233 VanDerWaalsContact OE1-NZ 3.08Å
211R83.3Confident88Confident159 Ų15997.9 Ų97.960%0.648%0.476SS*.Hα-helixtrans-58.2-42.5176.9-71.8173.1-169.4-172.32113.3D207 M208D207-R211 VanDerWaalsContact O-CG 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.49Å; D207-R211 PolarHBondContact O-N 3.01Å; D207-R211 IonicContact OD1-NE 2.62Å; D207-R211 IonicContact OD2-CZ 3.08Å; D207-R211 IonicContact OD2-NE 3.05Å; D207-R211 PolarHBondContact OD2-NE 2.69Å; D207-R211 IonicContact OD2-NH2 3.72Å; D207-R211 PolarHBondContact OD2-NH2 3.43Å; M208-R211 PolarHBondContact O-N 3.11Å
212I87.6Confident88.3Confident132 Ų13295.7 Ų95.768%0.67747%0.465SS*.Hα-helixtrans-79.9-18.4179.966.2174.3000113.4M208 L209 E210 K214M208-I212 PolarHBondContact O-N 3.41Å; L209-I212 HydrophobicContact CD2-CD1 4.04Å; L209-I212 WeakPolarHBondContact O-CG1 3.3Å; L209-I212 PolarHBondContact O-N 3.48Å; E210-I212 PolarHBondContact O-N 3.45Å; I212-K214 PolarHBondContact O-N 3.04Å
213R88.5Confident88.6Confident63 Ų6399.7 Ų99.724%0.23848%0.481CS..SBendtrans-61.7135.9-176.5-170.3-16954.386.5-11.8110.4L209 E210 L216 E230 K233L209-R213 WeakPolarHBondContact O-CB 3.21Å; L209-R213 PolarHBondContact O-N 2.9Å; E210-R213 WeakPolarHBondContact O-CB 3.36Å; E210-R213 PolarHBondContact O-N 3.17Å; E210-R213 IonicContact OE1-CZ 3.27Å; E210-R213 VanDerWaalsContact OE1-CZ 3.27Å; E210-R213 IonicContact OE1-NE 3.11Å; E210-R213 PolarHBondContact OE1-NE 2.88Å; E210-R213 VanDerWaalsContact OE1-NE 3.11Å; E210-R213 IonicContact OE1-NH2 2.65Å; E210-R213 PolarHBondContact OE1-NH2 2.96Å; E210-R213 IonicContact OE2-CZ 3.64Å; E210-R213 IonicContact OE2-NE 2.83Å; E210-R213 PolarHBondContact OE2-NE 3.26Å; E210-R213 IonicContact OE2-NH2 3.56Å; R213-L216 VanDerWaalsContact NH1-N 3.2Å; R213-E230 IonicContact CZ-OE1 3.7Å; R213-E230 IonicContact CZ-OE2 3.66Å; R213-E230 IonicContact NH1-OE1 3.85Å; R213-E230 IonicContact NH1-OE2 3.11Å; R213-E230 PolarHBondContact NH1-OE2 3.42Å; R213-E230 VanDerWaalsContact NH1-OE2 3.11Å; R213-E230 VanDerWaalsContact NH2-CD 3.34Å; R213-E230 IonicContact NH2-OE1 2.68Å; R213-E230 PolarHBondContact NH2-OE1 3.08Å; R213-E230 IonicContact NH2-OE2 3.22Å; R213-E230 PolarHBondContact NH2-OE2 3.48Å; R213-K233 WeakPolarHBondContact O-CE 3.4Å; R213-K233 PolarHBondContact O-NZ 3.15Å
214K90Very high89.1Confident164 Ų164101 Ų10171%0.71348%0.483SS*.PPolyproline II helixtrans-66.2156.1169.4-66.7179.9-177.8175.50111I212I212-K214 PolarHBondContact O-N 3.04Å
215P90.2Very high89.2Confident24 Ų24103 Ų10316%0.15650%0.502CS..PPolyproline II helixtrans-51.5147.2173.4-23.932.4000112E230 K233 H234P215-E230 VanDerWaalsContact CA-OE2 3.3Å; P215-E230 WeakPolarHBondContact CA-OE2 3.45Å; P215-K233 HydrophobicContact CG-CB 4.27Å; P215-K233 HydrophobicContact CG-CD 4.45Å; P215-K233 HydrophobicContact CG-CG 4.25Å; P215-H234 HydrophobicContact CB-CB 4.34Å; P215-H234 HydrophobicContact CG-CB 3.99Å
216L90.3Very high89Confident69 Ų6999.8 Ų99.836%0.36149%0.49SS..PPolyproline II helixtrans-59.6143.7-179.7-73.3176.2000110.9R213 K218 W219 I222 E230R213-L216 VanDerWaalsContact NH1-N 3.2Å; L216-K218 PolarHBondContact O-N 3.02Å; L216-W219 HydrophobicContact CB-CB 4.31Å; L216-W219 WeakPolarHBondContact O-CB 3.46Å; L216-W219 VanDerWaalsContact O-CD1 3.29Å; L216-W219 PolarHBondContact O-N 3.46Å; L216-I222 HydrophobicContact CD1-CD1 3.84Å; L216-E230 HydrophobicContact CD1-CG 4.39Å; L216-E230 HydrophobicContact CG-CG 4.49Å; L216-E230 PolarHBondContact N-OE2 3.24Å
217P90.1Very high89.2Confident119 Ų11998 Ų9877%0.77348%0.477SS*.THydrogen-bonded Turntrans-61135.7170.727.2-33.2000109.2W219P217-W219 PolarHBondContact O-N 3.19Å
218K91.6Very high89.5Confident139 Ų139101.9 Ų101.960%0.60449%0.491SS*.THydrogen-bonded Turntrans55.932.9-176.7-53.7-179.7179.2178.40113.8L216 Y220 T221L216-K218 PolarHBondContact O-N 3.02Å; K218-Y220 HydrophobicContact CB-CE1 4.24Å; K218-Y220 HydrophobicContact CG-CE1 4.44Å; K218-Y220 PolarHBondContact O-N 3.2Å; K218-T221 HydrophobicContact CB-CG2 4.28Å; K218-T221 PolarHBondContact O-N 3.48Å; K218-T221 PolarHBondContact O-OG1 3.18Å
219W89.4Confident89.3Confident45 Ų45100.1 Ų100.117%0.1748%0.479CS..G310 helixtrans-51.7-27.6176.762.7-96.9000113.7L216 P217 T221 I222 F227 E230 A231 H234L216-W219 HydrophobicContact CB-CB 4.31Å; L216-W219 WeakPolarHBondContact O-CB 3.46Å; L216-W219 VanDerWaalsContact O-CD1 3.29Å; L216-W219 PolarHBondContact O-N 3.46Å; P217-W219 PolarHBondContact O-N 3.19Å; W219-T221 PolarHBondContact O-N 3.36Å; W219-I222 HydrophobicContact CB-CD1 4.26Å; W219-I222 VanDerWaalsContact O-CB 3.3Å; W219-I222 WeakPolarHBondContact O-CB 3.2Å; W219-I222 WeakPolarHBondContact O-CG1 3.23Å; W219-I222 PolarHBondContact O-N 3.37Å; W219-I222 VanDerWaalsContact O-N 3.11Å; W219-F227 HydrophobicContact CE3-CD2 4.11Å; W219-F227 AromaticContact CE3-CE2 3.93Å; W219-F227 HydrophobicContact CE3-CE2 3.93Å; W219-F227 HydrophobicContact CZ3-CD2 4.18Å; W219-F227 AromaticContact CZ3-CE2 3.56Å; W219-F227 HydrophobicContact CZ3-CE2 3.56Å; W219-F227 HydrophobicContact CZ3-CZ 4.06Å; W219-E230 HydrophobicContact CB-CB 3.56Å; W219-E230 HydrophobicContact CB-CG 3.95Å; W219-E230 HydrophobicContact CD2-CB 4.34Å; W219-E230 HydrophobicContact CE3-CB 4.42Å; W219-E230 HydrophobicContact CG-CB 4.01Å; W219-A231 HydrophobicContact CE3-CB 4.08Å; W219-A231 HydrophobicContact CH2-CB 3.97Å; W219-A231 HydrophobicContact CZ3-CB 3.48Å; W219-A231 VanDerWaalsContact CZ3-CB 3.48Å; W219-H234 AromaticContact CE2-CG 4Å; W219-H234 HydrophobicContact CZ2-CB 4.01Å; W219-H234 AromaticContact CZ2-CD2 3.7Å; W219-H234 AromaticContact CZ2-CG 3.82Å; W219-H234 AromaticContact NE1-CG 3.79Å; W219-H234 AromaticContact NE1-ND1 3.81Å
220Y92.2Very high89.1Confident152 Ų15296 Ų9660%0.59646%0.457SS*.G310 helixtrans-65.3-13.1176.659-97.4000114.4K218K218-Y220 HydrophobicContact CB-CE1 4.24Å; K218-Y220 HydrophobicContact CG-CE1 4.44Å; K218-Y220 PolarHBondContact O-N 3.2Å
221T95.8Very high89.2Confident88 Ų8894.1 Ų94.154%0.5445%0.451SS..G310 helixtrans-90.6-8174.665.20000113.2K218 W219K218-T221 HydrophobicContact CB-CG2 4.28Å; K218-T221 PolarHBondContact O-N 3.48Å; K218-T221 PolarHBondContact O-OG1 3.18Å; W219-T221 PolarHBondContact O-N 3.36Å
222I92.1Very high89.4Confident40 Ų4093.3 Ų93.321%0.20545%0.448CS..  trans-71.7129.2-178.4-62.4173.3000109.4L216 W219 T224 Q226 F227 E230L216-I222 HydrophobicContact CD1-CD1 3.84Å; W219-I222 HydrophobicContact CB-CD1 4.26Å; W219-I222 VanDerWaalsContact O-CB 3.3Å; W219-I222 WeakPolarHBondContact O-CB 3.2Å; W219-I222 WeakPolarHBondContact O-CG1 3.23Å; W219-I222 PolarHBondContact O-N 3.37Å; W219-I222 VanDerWaalsContact O-N 3.11Å; I222-T224 WeakPolarHBondContact CG2-OG1 3.06Å; I222-Q226 HydrophobicContact CG2-CB 4.24Å; I222-F227 HydrophobicContact CB-CB 4.43Å; I222-F227 HydrophobicContact CG2-CB 4.31Å; I222-E230 HydrophobicContact CD1-CG 4.21Å
223K92.9Very high89.3Confident210 Ų21088.1 Ų88.191%0.91342%0.421SS*.  trans-101.8-1.8178.8-63.1-173.9178.8-177.70114.3
224T90.7Very high89.2Confident81 Ų8187.8 Ų87.850%0.49742%0.422SS..SBendtrans-88.4165.6178.557.40000111.4I222 Q226 F227I222-T224 WeakPolarHBondContact CG2-OG1 3.06Å; T224-Q226 PolarHBondContact O-N 3.3Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.14Å; T224-F227 VanDerWaalsContact O-CB 3.29Å; T224-F227 WeakPolarHBondContact O-CB 3.34Å; T224-F227 PolarHBondContact O-N 3.2Å
225P85.8Confident89.1Confident110 Ų11084.2 Ų84.271%0.71441%0.41SS*.THydrogen-bonded Turntrans-52.8-22.9174.4-28.336.4000115F227 F228P225-F227 PolarHBondContact O-N 3.38Å; P225-F227 VanDerWaalsContact O-N 3.11Å; P225-F228 PolarHBondContact O-N 3.23Å; P225-F228 VanDerWaalsContact O-N 3.15Å
226Q84.9Confident88.9Confident79 Ų7988 Ų8837%0.36943%0.426SS..Hα-helixtrans-52.8-27.5170.7-168.262.722.100113.4I222 T224 F228 Y229 E230I222-Q226 HydrophobicContact CG2-CB 4.24Å; T224-Q226 PolarHBondContact O-N 3.3Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.14Å; Q226-F228 VanDerWaalsContact C-N 3.3Å; Q226-F228 PolarHBondContact O-N 2.93Å; Q226-Y229 WeakPolarHBondContact O-CB 3.3Å; Q226-Y229 PolarHBondContact O-N 3.12Å; Q226-Y229 VanDerWaalsContact O-N 3.14Å; Q226-E230 HydrophobicContact CG-CG 4.3Å; Q226-E230 PolarHBondContact NE2-OE1 3.44Å; Q226-E230 PolarHBondContact O-N 3.11Å
227F88.9Confident88.6Confident65 Ų6587.4 Ų87.429%0.28542%0.423SS..Hα-helixtrans-50.9-48.5174.7168.4-97.1000112W219 I222 T224 P225 Y229 E230 A231W219-F227 HydrophobicContact CE3-CD2 4.11Å; W219-F227 AromaticContact CE3-CE2 3.93Å; W219-F227 HydrophobicContact CE3-CE2 3.93Å; W219-F227 HydrophobicContact CZ3-CD2 4.18Å; W219-F227 AromaticContact CZ3-CE2 3.56Å; W219-F227 HydrophobicContact CZ3-CE2 3.56Å; W219-F227 HydrophobicContact CZ3-CZ 4.06Å; I222-F227 HydrophobicContact CB-CB 4.43Å; I222-F227 HydrophobicContact CG2-CB 4.31Å; T224-F227 VanDerWaalsContact O-CB 3.29Å; T224-F227 WeakPolarHBondContact O-CB 3.34Å; T224-F227 PolarHBondContact O-N 3.2Å; P225-F227 PolarHBondContact O-N 3.38Å; P225-F227 VanDerWaalsContact O-N 3.11Å; F227-Y229 VanDerWaalsContact C-N 3.3Å; F227-Y229 PolarHBondContact O-N 3.18Å; F227-E230 PolarHBondContact O-N 3.05Å; F227-A231 VanDerWaalsContact O-CB 3.25Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 2.98Å
228F90.3Very high88.4Confident150 Ų15085.2 Ų85.266%0.65840%0.404SS*.Hα-helixtrans-66-36.5-178-63.9-73.9000111.9P225 Q226 R232P225-F228 PolarHBondContact O-N 3.23Å; P225-F228 VanDerWaalsContact O-N 3.15Å; Q226-F228 VanDerWaalsContact C-N 3.3Å; Q226-F228 PolarHBondContact O-N 2.93Å; F228-R232 WeakPolarHBondContact O-CB 3.41Å; F228-R232 PolarHBondContact O-N 2.86Å
229Y84Confident88Confident73 Ų7384.5 Ų84.529%0.28640%0.401SS..Hα-helixtrans-64.4-48.4176.4-178.4-92000111.5E210 Q226 F227 R232 K233E210-Y229 WeakPolarHBondContact OE1-CE1 3.31Å; Q226-Y229 WeakPolarHBondContact O-CB 3.3Å; Q226-Y229 PolarHBondContact O-N 3.12Å; Q226-Y229 VanDerWaalsContact O-N 3.14Å; F227-Y229 VanDerWaalsContact C-N 3.3Å; F227-Y229 PolarHBondContact O-N 3.18Å; Y229-R232 PolarHBondContact O-N 3.31Å; Y229-K233 PolarHBondContact O-N 2.99Å; Y229-K233 VanDerWaalsContact O-N 3.14Å
230E86Confident87.4Confident0 Ų085.6 Ų85.60%042%0.416CS..Hα-helixtrans-66.2-40.4177.1-61-56.5134.600112.5R213 P215 L216 W219 I222 Q226 F227 K233 H234R213-E230 IonicContact CZ-OE1 3.7Å; R213-E230 IonicContact CZ-OE2 3.66Å; R213-E230 IonicContact NH1-OE1 3.85Å; R213-E230 IonicContact NH1-OE2 3.11Å; R213-E230 PolarHBondContact NH1-OE2 3.42Å; R213-E230 VanDerWaalsContact NH1-OE2 3.11Å; R213-E230 VanDerWaalsContact NH2-CD 3.34Å; R213-E230 IonicContact NH2-OE1 2.68Å; R213-E230 PolarHBondContact NH2-OE1 3.08Å; R213-E230 IonicContact NH2-OE2 3.22Å; R213-E230 PolarHBondContact NH2-OE2 3.48Å; P215-E230 VanDerWaalsContact CA-OE2 3.3Å; P215-E230 WeakPolarHBondContact CA-OE2 3.45Å; L216-E230 HydrophobicContact CD1-CG 4.39Å; L216-E230 HydrophobicContact CG-CG 4.49Å; L216-E230 PolarHBondContact N-OE2 3.24Å; W219-E230 HydrophobicContact CB-CB 3.56Å; W219-E230 HydrophobicContact CB-CG 3.95Å; W219-E230 HydrophobicContact CD2-CB 4.34Å; W219-E230 HydrophobicContact CE3-CB 4.42Å; W219-E230 HydrophobicContact CG-CB 4.01Å; I222-E230 HydrophobicContact CD1-CG 4.21Å; Q226-E230 HydrophobicContact CG-CG 4.3Å; Q226-E230 PolarHBondContact NE2-OE1 3.44Å; Q226-E230 PolarHBondContact O-N 3.11Å; F227-E230 PolarHBondContact O-N 3.05Å; E230-K233 PolarHBondContact O-N 3.36Å; E230-H234 WeakPolarHBondContact O-CB 3.5Å; E230-H234 PolarHBondContact O-N 2.92Å
231A88.4Confident86.5Confident14 Ų1485.5 Ų85.512%0.11641%0.414CS..Hα-helixtrans-60.9-45.4177.800000111.2W219 F227 K233 H234 N235W219-A231 HydrophobicContact CE3-CB 4.08Å; W219-A231 HydrophobicContact CH2-CB 3.97Å; W219-A231 HydrophobicContact CZ3-CB 3.48Å; W219-A231 VanDerWaalsContact CZ3-CB 3.48Å; F227-A231 VanDerWaalsContact O-CB 3.25Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 2.98Å; A231-K233 PolarHBondContact O-N 3.28Å; A231-H234 PolarHBondContact O-N 3.1Å; A231-N235 PolarHBondContact O-N 3.36Å; A231-N235 PolarHBondContact O-ND2 3.18Å
232R87.2Confident84.8Confident143 Ų14386.9 Ų86.954%0.5442%0.415SS..Hα-helixtrans-58.8-47.5175.5-176.3177.867163.81.7111.2F228 Y229 H234 N235 E236F228-R232 WeakPolarHBondContact O-CB 3.41Å; F228-R232 PolarHBondContact O-N 2.86Å; Y229-R232 PolarHBondContact O-N 3.31Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 3.28Å; R232-N235 PolarHBondContact O-N 3.29Å; R232-N235 VanDerWaalsContact O-N 3.16Å; R232-E236 WeakPolarHBondContact O-CG 3.4Å; R232-E236 PolarHBondContact O-N 3.03Å
233K85.2Confident83.2Confident23 Ų2393.1 Ų93.110%0.144%0.437CS..Hα-helixtrans-62.4-38.8179.5-159.7-180-149176.40112.5E210 R213 P215 Y229 E230 A231 L237E210-K233 PolarHBondContact O-NZ 3.19Å; E210-K233 IonicContact OE1-NZ 3.85Å; E210-K233 PolarHBondContact OE1-NZ 2.82Å; E210-K233 VanDerWaalsContact OE1-NZ 3.08Å; R213-K233 WeakPolarHBondContact O-CE 3.4Å; R213-K233 PolarHBondContact O-NZ 3.15Å; P215-K233 HydrophobicContact CG-CB 4.27Å; P215-K233 HydrophobicContact CG-CD 4.45Å; P215-K233 HydrophobicContact CG-CG 4.25Å; Y229-K233 PolarHBondContact O-N 2.99Å; Y229-K233 VanDerWaalsContact O-N 3.14Å; E230-K233 PolarHBondContact O-N 3.36Å; A231-K233 PolarHBondContact O-N 3.28Å; K233-L237 PolarHBondContact O-N 3.06Å; K233-L237 VanDerWaalsContact O-N 3.08Å
234H87.6Confident81.5Confident56 Ų5686.1 Ų86.126%0.25941%0.414SS..Hα-helixtrans-64.1-44.7173.6-176.675.8000111.6P215 W219 E230 A231 R232 E236 L237 L238P215-H234 HydrophobicContact CB-CB 4.34Å; P215-H234 HydrophobicContact CG-CB 3.99Å; W219-H234 AromaticContact CE2-CG 4Å; W219-H234 HydrophobicContact CZ2-CB 4.01Å; W219-H234 AromaticContact CZ2-CD2 3.7Å; W219-H234 AromaticContact CZ2-CG 3.82Å; W219-H234 AromaticContact NE1-CG 3.79Å; W219-H234 AromaticContact NE1-ND1 3.81Å; E230-H234 WeakPolarHBondContact O-CB 3.5Å; E230-H234 PolarHBondContact O-N 2.92Å; A231-H234 PolarHBondContact O-N 3.1Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 3.28Å; H234-E236 VanDerWaalsContact C-N 3.34Å; H234-E236 PolarHBondContact O-N 3.28Å; H234-L237 WeakPolarHBondContact O-CB 3.33Å; H234-L237 PolarHBondContact O-N 3.47Å; H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 2.64Å
235N88.2Confident80Confident88 Ų8888.1 Ų88.147%0.47142%0.422SS..Hα-helixtrans-63.8-38.6177.9-67.8-18.5000112.3A231 R232 L237 L238 K239A231-N235 PolarHBondContact O-N 3.36Å; A231-N235 PolarHBondContact O-ND2 3.18Å; R232-N235 PolarHBondContact O-N 3.29Å; R232-N235 VanDerWaalsContact O-N 3.16Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-L238 PolarHBondContact O-N 3.42Å; N235-K239 WeakPolarHBondContact O-CG 3.4Å; N235-K239 PolarHBondContact O-N 3.11Å
236E85.8Confident78.5Confident103 Ų10391.9 Ų91.948%0.48142%0.423SS..Hα-helixtrans-62.6-40.2173-73.6169.9-172.800112R232 H234 L238 K239 S240R232-E236 WeakPolarHBondContact O-CG 3.4Å; R232-E236 PolarHBondContact O-N 3.03Å; H234-E236 VanDerWaalsContact C-N 3.34Å; H234-E236 PolarHBondContact O-N 3.28Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-K239 PolarHBondContact O-N 2.96Å; E236-S240 PolarHBondContact O-N 3.36Å; E236-S240 VanDerWaalsContact O-N 3.09Å; E236-S240 PolarHBondContact O-OG 2.88Å
237L84.9Confident77Confident58 Ų5895.2 Ų95.230%0.30444%0.443SS..Hα-helixtrans-64.7-36.6174.7-171.976.3000112.5K233 H234 N235 S240 R241K233-L237 PolarHBondContact O-N 3.06Å; K233-L237 VanDerWaalsContact O-N 3.08Å; H234-L237 WeakPolarHBondContact O-CB 3.33Å; H234-L237 PolarHBondContact O-N 3.47Å; N235-L237 VanDerWaalsContact C-N 3.34Å; L237-S240 PolarHBondContact O-OG 3.46Å; L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.22Å
238L84.7Confident74.9Confident73 Ų73105.7 Ų105.738%0.38248%0.483SS..Hα-helixtrans-68.7-41.4175.6-68.7178.5000111.5H234 N235 E236 S240 R241 Q242H234-L238 WeakPolarHBondContact O-CG 3.46Å; H234-L238 PolarHBondContact O-N 2.64Å; N235-L238 PolarHBondContact O-N 3.42Å; E236-L238 VanDerWaalsContact C-N 3.35Å; L238-S240 PolarHBondContact O-N 3.17Å; L238-R241 PolarHBondContact O-N 2.93Å; L238-Q242 WeakPolarHBondContact O-CG 3.46Å; L238-Q242 PolarHBondContact O-N 3.15Å
239K83.4Confident74.1Confident124 Ų124103.5 Ų103.554%0.53947%0.474SS..Hα-helixtrans-58-47.7175.4-73176.4-178.7-1760111.2N235 E236 R241 Q242 Y243N235-K239 WeakPolarHBondContact O-CG 3.4Å; N235-K239 PolarHBondContact O-N 3.11Å; E236-K239 PolarHBondContact O-N 2.96Å; K239-R241 VanDerWaalsContact C-N 3.28Å; K239-R241 PolarHBondContact O-N 2.79Å; K239-Q242 PolarHBondContact O-N 3.05Å; K239-Y243 HydrophobicContact CB-CE2 4.39Å; K239-Y243 WeakPolarHBondContact O-CD2 3.46Å; K239-Y243 PolarHBondContact O-N 2.78Å; K239-Y243 VanDerWaalsContact O-N 3.09Å
240S77.6Confident73.6Confident68 Ų68105.1 Ų105.148%0.47648%0.484SS..Hα-helixtrans-63.7-32.4-179.4620000113.4E236 L237 L238 S244E236-S240 PolarHBondContact O-N 3.36Å; E236-S240 VanDerWaalsContact O-N 3.09Å; E236-S240 PolarHBondContact O-OG 2.88Å; L237-S240 PolarHBondContact O-OG 3.46Å; L238-S240 PolarHBondContact O-N 3.17Å; S240-S244 PolarHBondContact O-N 2.87Å
241R71.9Confident72.9Confident150 Ų150110.9 Ų110.957%0.56651%0.511SS*.Hα-helixtrans-71.8-39.7173.1-70.5179.3-178.6-158.6-2113.3L237 L238 K239 Y243 S244 D245L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.22Å; L238-R241 PolarHBondContact O-N 2.93Å; K239-R241 VanDerWaalsContact C-N 3.28Å; K239-R241 PolarHBondContact O-N 2.79Å; R241-Y243 VanDerWaalsContact C-N 3.3Å; R241-Y243 PolarHBondContact O-N 3.41Å; R241-S244 WeakPolarHBondContact CA-OG 3.33Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 VanDerWaalsContact O-N 3.15Å; R241-S244 PolarHBondContact O-OG 2.72Å; R241-D245 PolarHBondContact O-N 3.15Å
242Q61.6Low72Confident117 Ų117116.6 Ų116.655%0.54753%0.534SS..Hα-helixtrans-61.1-42.4175.5-74.5176.8-14.100110.9L238 K239 S244 D245 Y246L238-Q242 WeakPolarHBondContact O-CG 3.46Å; L238-Q242 PolarHBondContact O-N 3.15Å; K239-Q242 PolarHBondContact O-N 3.05Å; Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 2.85Å; Q242-D245 PolarHBondContact O-N 2.74Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.27Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.32Å
243Y57.2Low71Confident170 Ų170115 Ų11567%0.66753%0.534SS*.Hα-helixtrans-63.1-32175.3-72.6-67.3000113.4K239 R241 D245K239-Y243 HydrophobicContact CB-CE2 4.39Å; K239-Y243 WeakPolarHBondContact O-CD2 3.46Å; K239-Y243 PolarHBondContact O-N 2.78Å; K239-Y243 VanDerWaalsContact O-N 3.09Å; R241-Y243 VanDerWaalsContact C-N 3.3Å; R241-Y243 PolarHBondContact O-N 3.41Å; Y243-D245 VanDerWaalsContact C-N 3.32Å
244S58Low70.1Confident64 Ų64121.1 Ų121.145%0.44856%0.562SS.*Hα-helixtrans-70-27.7175.5540000113.5S240 R241 Q242 Y246 L247S240-S244 PolarHBondContact O-N 2.87Å; R241-S244 WeakPolarHBondContact CA-OG 3.33Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 VanDerWaalsContact O-N 3.15Å; R241-S244 PolarHBondContact O-OG 2.72Å; Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 2.85Å; S244-Y246 VanDerWaalsContact C-N 3.3Å; S244-Y246 PolarHBondContact O-N 2.73Å; S244-L247 PolarHBondContact O-N 3.41Å
245D57.9Low68.9Low123 Ų123125.8 Ų125.866%0.65858%0.584SS**Hα-helixtrans-75.5-18.6-179.8-65.6-18.7000112.6R241 Q242 Y243R241-D245 PolarHBondContact O-N 3.15Å; Q242-D245 PolarHBondContact O-N 2.74Å; Y243-D245 VanDerWaalsContact C-N 3.32Å
246Y55.9Low67.4Low188 Ų188128.7 Ų128.774%0.73759%0.593SS**THydrogen-bonded Turntrans-90.82.9176.4-64.3-71.3000114.4Q242 S244Q242-Y246 WeakPolarHBondContact O-CD2 3.27Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.32Å; S244-Y246 VanDerWaalsContact C-N 3.3Å; S244-Y246 PolarHBondContact O-N 2.73Å
247L51.8Low65.8Low150 Ų150130.8 Ų130.879%0.78560%0.602SS**THydrogen-bonded Turntrans-102.112.6-179.3-74.9175.4000114.3S244S244-L247 PolarHBondContact O-N 3.41Å
248Y45.2Very low64.1Low285 Ų285137.5 Ų137.5100%1.11863%0.629SS**  trans-122.10169.5-88.4-85.1000110.5

Retrieved 248 of 248 residues in 364.8 ms (Link to these results)