A0A3Q0KKK7_SCHMA Loading...

DUF5577 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 333 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
1M53.8Low80.3Confident243 Ų243101.1 Ų101.1100%1.19759%0.589SS**  098.90-161.9156.678.200107.8I3M1-I3 PolarHBondContact O-N 3.32Å
2G53.7Low81.3Confident71 Ų71101 Ų10173%0.73258%0.583SS**  trans-80.5107.7-16900000112.6T4G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.21Å
3I64Low82.2Confident150 Ų150101.9 Ų101.977%0.76958%0.583SS**  trans-67.490.3158.436.5168.1000108.1M1M1-I3 PolarHBondContact O-N 3.32Å
4T81.3Confident82.9Confident77 Ų77105.5 Ų105.547%0.47259%0.589SS.*  trans-75.3149.7171.560.40000109.2G2 I6 G7 D8G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.21Å; T4-I6 PolarHBondContact O-N 3.22Å; T4-I6 VanDerWaalsContact O-N 3.08Å; T4-G7 WeakPolarHBondContact O-CA 2.98Å; T4-G7 PolarHBondContact O-N 2.78Å; T4-G7 PolarHBondContact OG1-N 3.29Å; T4-D8 PolarHBondContact O-N 3.21Å
5V85.1Confident83.3Confident111 Ų111107.3 Ų107.367%0.67359%0.591SS**Hα-helixtrans-52.6-33.4173.5-178.80000111.2D8 I9V5-D8 PolarHBondContact O-N 2.82Å; V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CD1 3.41Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.69Å
6I88.2Confident83.6Confident117 Ų117105.1 Ų105.160%0.659%0.585SS**Hα-helixtrans-62.1-41.9174.2-62.8160.3000111.6T4 I9 I10T4-I6 PolarHBondContact O-N 3.22Å; T4-I6 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 WeakPolarHBondContact O-CD1 3.44Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.83Å
7G91.2Very high83.9Confident27 Ų27108.9 Ų108.928%0.27859%0.593SS.*Hα-helixtrans-63.8-39.5176.100000113.2T4 S11T4-G7 WeakPolarHBondContact O-CA 2.98Å; T4-G7 PolarHBondContact O-N 2.78Å; T4-G7 PolarHBondContact OG1-N 3.29Å; G7-S11 WeakPolarHBondContact O-CB 3.48Å; G7-S11 PolarHBondContact O-N 2.92Å; G7-S11 PolarHBondContact O-OG 3.1Å
8D90.8Very high84Confident82 Ų82110.6 Ų110.644%0.43959%0.594SS.*Hα-helixtrans-67.3-45175.2-72.1-21.3000111.4T4 V5 I10 S11 I12T4-D8 PolarHBondContact O-N 3.21Å; V5-D8 PolarHBondContact O-N 2.82Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.22Å; D8-S11 PolarHBondContact O-N 3.46Å; D8-S11 VanDerWaalsContact O-N 3.11Å; D8-I12 VanDerWaalsContact O-CG1 3.3Å; D8-I12 WeakPolarHBondContact O-CG1 3.26Å; D8-I12 PolarHBondContact O-N 3.5Å
9I92.9Very high83.8Confident89 Ų89109.7 Ų109.746%0.45659%0.588SS.*Hα-helixtrans-56.4-47.7175-69.1163.6000110.7V5 I6 S11 I12 L13V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CD1 3.41Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.69Å; I6-I9 PolarHBondContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 3.02Å; I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.78Å
10I91.8Very high83Confident81 Ų81114.8 Ų114.842%0.41560%0.598SS.*Hα-helixtrans-62.9-38.3177.8-68.2164.9000111.2I6 D8 K14I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 WeakPolarHBondContact O-CD1 3.44Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.83Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.22Å; I10-K14 HydrophobicContact CG2-CD 4.27Å; I10-K14 WeakPolarHBondContact O-CB 3.26Å; I10-K14 WeakPolarHBondContact O-CG 3.41Å; I10-K14 PolarHBondContact O-N 3.09Å
11S90.6Very high82.1Confident64 Ų64116 Ų11645%0.44860%0.601SS.*Hα-helixtrans-68.1-42.9179.6-60.80000112G7 D8 I9 K14 Q15G7-S11 WeakPolarHBondContact O-CB 3.48Å; G7-S11 PolarHBondContact O-N 2.92Å; G7-S11 PolarHBondContact O-OG 3.1Å; D8-S11 PolarHBondContact O-N 3.46Å; D8-S11 VanDerWaalsContact O-N 3.11Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.42Å; S11-K14 PolarHBondContact O-N 3.15Å; S11-Q15 PolarHBondContact O-N 2.85Å
12I92.1Very high82.4Confident100 Ų100110 Ų11051%0.51357%0.57SS.*Hα-helixtrans-61.2-50173.6-67.2163.4000110D8 I9 K14 Q15 C16D8-I12 VanDerWaalsContact O-CG1 3.3Å; D8-I12 WeakPolarHBondContact O-CG1 3.26Å; D8-I12 PolarHBondContact O-N 3.5Å; I9-I12 PolarHBondContact O-N 3.02Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 2.85Å; I12-Q15 PolarHBondContact O-N 3.05Å; I12-Q15 VanDerWaalsContact O-N 3.11Å; I12-C16 PolarHBondContact O-N 3.14Å; I12-C16 PolarHBondContact O-SG 3.17Å
13L93.2Very high82.6Confident113 Ų113112.9 Ų112.959%0.59257%0.568SS**Hα-helixtrans-59.5-39.3178.8-71.4171.3000112.6I9 C16 K17I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.78Å; L13-C16 PolarHBondContact O-N 3.3Å; L13-K17 PolarHBondContact O-N 3.22Å
14K91.5Very high82.2Confident152 Ų152110.2 Ų110.266%0.66156%0.563SS**Hα-helixtrans-63.5-44.4173.3-80.1178.3175.2179.50112.2I10 S11 I12 K17 K18I10-K14 HydrophobicContact CG2-CD 4.27Å; I10-K14 WeakPolarHBondContact O-CB 3.26Å; I10-K14 WeakPolarHBondContact O-CG 3.41Å; I10-K14 PolarHBondContact O-N 3.09Å; S11-K14 PolarHBondContact O-N 3.15Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 2.85Å; K14-K17 PolarHBondContact O-N 2.86Å; K14-K18 PolarHBondContact O-N 3.01Å
15Q89.2Confident81.3Confident133 Ų133112.1 Ų112.162%0.62157%0.574SS**Hα-helixtrans-63.1-45.5175.7-74.9-170.5-3.200111.7S11 I12 K17 K18 I19S11-Q15 PolarHBondContact O-N 2.85Å; I12-Q15 PolarHBondContact O-N 3.05Å; I12-Q15 VanDerWaalsContact O-N 3.11Å; Q15-K17 VanDerWaalsContact C-N 3.3Å; Q15-K17 PolarHBondContact O-N 3.17Å; Q15-K18 PolarHBondContact O-N 3.34Å; Q15-K18 VanDerWaalsContact O-N 3.14Å; Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.29Å
16C88.2Confident79.6Confident72 Ų72110 Ų11049%0.48657%0.568SS.*Hα-helixtrans-58.1-41.3175.6-66.10000112.1I12 L13 R20I12-C16 PolarHBondContact O-N 3.14Å; I12-C16 PolarHBondContact O-SG 3.17Å; L13-C16 PolarHBondContact O-N 3.3Å; C16-R20 WeakPolarHBondContact O-CB 3.31Å; C16-R20 PolarHBondContact O-N 2.91Å
17K88.3Confident77.9Confident169 Ų169110.3 Ų110.374%0.73558%0.577SS**Hα-helixtrans-64.7-40.3175.8-171.9173.7-179.7177.60112.2L13 K14 Q15 H21L13-K17 PolarHBondContact O-N 3.22Å; K14-K17 PolarHBondContact O-N 2.86Å; Q15-K17 VanDerWaalsContact C-N 3.3Å; Q15-K17 PolarHBondContact O-N 3.17Å; K17-H21 PolarHBondContact O-N 3.2Å
18K85.3Confident76.1Confident140 Ų140115 Ų11561%0.60960%0.601SS**Hα-helixtrans-63.7-52.3174.8-172.4176.8-179.2-178.90111.1K14 Q15 R20 H21 E22K14-K18 PolarHBondContact O-N 3.01Å; Q15-K18 PolarHBondContact O-N 3.34Å; Q15-K18 VanDerWaalsContact O-N 3.14Å; K18-R20 PolarHBondContact O-N 3.17Å; K18-H21 WeakPolarHBondContact O-CB 3.38Å; K18-H21 PolarHBondContact O-N 3.05Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.19Å; K18-E22 WeakPolarHBondContact O-CG 3.34Å; K18-E22 PolarHBondContact O-N 3.39Å
19I80.3Confident74.6Confident93 Ų93116.5 Ų116.548%0.47762%0.615SS.*Hα-helixtrans-56.9-38.5-179.5-66.4163000111.2Q15 H21 E22 L23Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.29Å; I19-H21 PolarHBondContact O-N 3.47Å; I19-E22 PolarHBondContact O-N 3.26Å; I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.16Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.3Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 3.04Å
20R69.1Low72.6Confident211 Ų211118.3 Ų118.380%0.79663%0.63SS**Hα-helixtrans-63.6-27.1176.8-158.6179.4-164.3-174.45.2113.4C16 K18C16-R20 WeakPolarHBondContact O-CB 3.31Å; C16-R20 PolarHBondContact O-N 2.91Å; K18-R20 PolarHBondContact O-N 3.17Å
21H63Low71Confident141 Ų141120 Ų12065%0.65364%0.644SS**Hα-helixtrans-86-40.5177.8-142.2-70.6000112K17 K18 I19 L23 S24K17-H21 PolarHBondContact O-N 3.2Å; K18-H21 WeakPolarHBondContact O-CB 3.38Å; K18-H21 PolarHBondContact O-N 3.05Å; I19-H21 PolarHBondContact O-N 3.47Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.05Å; H21-S24 WeakPolarHBondContact O-CB 3.22Å; H21-S24 PolarHBondContact O-N 3.46Å; H21-S24 VanDerWaalsContact O-N 3.07Å
22E59.8Low68.6Low116 Ų116122.1 Ų122.154%0.54266%0.655SS.*Hα-helixtrans-62.5-39.5174.8-56.6-71.8165.800111.4K18 I19 S24K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.19Å; K18-E22 WeakPolarHBondContact O-CG 3.34Å; K18-E22 PolarHBondContact O-N 3.39Å; I19-E22 PolarHBondContact O-N 3.26Å; E22-S24 PolarHBondContact O-N 2.95Å
23L57.9Low66.5Low133 Ų133121.8 Ų121.870%0.69666%0.661SS**THydrogen-bonded Turntrans-73.6-8.8174.6-68.2177.9000113.9I19 H21I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.16Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.3Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 3.04Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.05Å
24S57.3Low64.2Low93 Ų93122.4 Ų122.465%0.6567%0.67SS**THydrogen-bonded Turntrans-92.1-7.5179.7-168.30000113.5H21 E22H21-S24 WeakPolarHBondContact O-CB 3.22Å; H21-S24 PolarHBondContact O-N 3.46Å; H21-S24 VanDerWaalsContact O-N 3.07Å; E22-S24 PolarHBondContact O-N 2.95Å
25V60.5Low62.6Low118 Ų118121.4 Ų121.472%0.71568%0.677SS**SBendtrans-135.820.8-174-159.70000111.5
26A50.1Low60.7Low66 Ų66120.4 Ų120.455%0.54568%0.684SS.*PPolyproline II helixtrans-103.3137.8-178.200000112.3
27P52.8Low59Low123 Ų123125.7 Ų125.780%0.79970%0.699SS**PPolyproline II helixtrans-68.9149.3-176.7-16.130000112.8P29P27-P29 WeakPolarHBondContact O-CD 3.46Å
28T52.7Low57Low126 Ų126124.4 Ų124.477%0.77370%0.7SS**PPolyproline II helixtrans-57.2119.9173.446.60000111.5V30T28-V30 PolarHBondContact O-N 3.27Å
29P59.5Low55Low114 Ų114123.3 Ų123.374%0.7471%0.709SS**PPolyproline II helixtrans-70.5116.3171.228-32.1000109.5P27 V31P27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-V31 PolarHBondContact O-N 3.47Å
30V51.4Low53.1Low126 Ų126124 Ų12476%0.76472%0.721SS**  trans-68.3103.7171.4177.40000108.3T28 T32T28-V30 PolarHBondContact O-N 3.27Å; V30-T32 PolarHBondContact O-N 3.47Å; V30-T32 VanDerWaalsContact O-N 3.12Å
31V57.2Low52.2Low117 Ų117119.9 Ų119.971%0.70973%0.725SS**  trans-8287.9177.4-178.50000109.3P29 S33P29-V31 PolarHBondContact O-N 3.47Å; V31-S33 WeakPolarHBondContact CG1-OG 3.48Å; V31-S33 PolarHBondContact O-N 3Å; V31-S33 VanDerWaalsContact O-N 3.15Å
32T41.4Very low51.2Low109 Ų109121.3 Ų121.367%0.66973%0.732SS**  trans-80.185.3168-53.10000109.6V30 T34V30-T32 PolarHBondContact O-N 3.47Å; V30-T32 VanDerWaalsContact O-N 3.12Å; T32-T34 HydrophobicContact CG2-CG2 4.29Å; T32-T34 PolarHBondContact O-N 3.34Å; T32-T34 VanDerWaalsContact O-N 3.12Å
33S48.8Very low50.7Low93 Ų93123.8 Ų123.865%0.6575%0.749SS**  trans-77.989.2173.6-67.70000111V31 T35V31-S33 WeakPolarHBondContact CG1-OG 3.48Å; V31-S33 PolarHBondContact O-N 3Å; V31-S33 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact O-N 2.93Å
34T44.9Very low50.3Low126 Ų126126.3 Ų126.377%0.77375%0.754SS**  trans-76.799.6166.848.60000110.3T32T32-T34 HydrophobicContact CG2-CG2 4.29Å; T32-T34 PolarHBondContact O-N 3.34Å; T32-T34 VanDerWaalsContact O-N 3.12Å
35T56.1Low49.7Very low131 Ų131131.5 Ų131.580%0.80477%0.765SS**  trans-113.9106.9163.651.20000109.2S33S33-T35 PolarHBondContact O-N 2.93Å
36S49.1Very low48.9Very low112 Ų112130 Ų13078%0.78377%0.765SS**  trans-73.1135.4171.542.70000111.1
37K52.9Low48.5Very low183 Ų183133.4 Ų133.480%0.79678%0.779SS**  trans172.1109.3132.8-93.5169.4-178.9-169.30111
38D46.2Very low48.2Very low141 Ų141132.3 Ų132.375%0.75477%0.774SS**  trans57.6139.9130.1-45-31000122.4
39C44.1Very low47.8Very low117 Ų117135.4 Ų135.479%0.79178%0.777SS**  trans85.591.5159.1-60.40000120.1
40S41.3Very low47.2Very low107 Ų107136.7 Ų136.775%0.74878%0.778SS**  49.8111.2124.864.40000120.7
41S48.3Very low46.7Very low125 Ų125138.2 Ų138.287%0.87479%0.787SS**  -173.6156.5105.3390000110.9
42E43.8Very low46.5Very low172 Ų172136.1 Ų136.180%0.80478%0.782SS**  trans-78.4141.4-172-53.1176.6115.100111.8
43N47.9Very low47.1Very low167 Ų167137.6 Ų137.689%0.89379%0.791SS**  trans-163.3139.6131.9-104.7-48.7000113.3
44K49.6Very low47.5Very low186 Ų186141.1 Ų141.181%0.80980%0.801SS**  trans-94.4131.9-173.7-60.9161.7-179.9165.20110.6
45K45Very low48.2Very low203 Ų203140.1 Ų140.188%0.88380%0.795SS**  172140119-100.1176.7174.1178.40115.6
46A44Very low48.6Very low86 Ų86139.7 Ų139.771%0.71179%0.794SS**  trans52.494.513900000120.7
47V42.2Very low49.5Very low137 Ų137140.1 Ų140.183%0.8379%0.792SS**  23.4114.1112.1-1740000117.2
48S45.9Very low50Low101 Ų101142.5 Ų142.571%0.70680%0.796SS**  -143.2137.8126.373.40000109.9
49K43.2Very low51.1Low191 Ų191147.7 Ų147.783%0.8381%0.805SS**  trans-93.4118.9175.5-64.7173.9-179.5176.40107.6
50N47.4Very low52.4Low141 Ų141152.6 Ų152.675%0.75481%0.807SS**  trans-137.5113.4164.5-85.5-53.2000109A52N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.44Å
51V41.5Very low53.9Low157 Ų157152.2 Ų152.295%0.95279%0.794SS**  trans-79.582.5179.1-179.40000108.2
52A53Low55Low74 Ų74151 Ų15161%0.61278%0.778SS**  trans-91.7135.3171.500000110N50 L54N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.44Å; A52-L54 PolarHBondContact O-N 3.27Å
53V53.4Low56.2Low140 Ų140147.7 Ų147.785%0.84877%0.772SS**  trans-62106.7-179.8177.30000110V55V53-V55 PolarHBondContact O-N 3.02Å
54L56.9Low57.3Low166 Ų166148.5 Ų148.587%0.86977%0.77SS**  trans-75.582.1-176.4-78.4159.9000111.6A52 P56A52-L54 PolarHBondContact O-N 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.26Å
55V60.8Low58.3Low105 Ų105144.7 Ų144.764%0.63676%0.762SS**  trans-55.8132.4159.9176.40000108.2V53 V57V53-V55 PolarHBondContact O-N 3.02Å; V55-V57 PolarHBondContact O-N 3.39Å
56P63Low59.4Low123 Ų123138.7 Ų138.780%0.79974%0.737SS**  trans-66.475.7174.3-23.435.6000112.5L54 R58L54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-R58 PolarHBondContact O-N 3.36Å
57V68.1Low61Low120 Ų120136.8 Ų136.873%0.72773%0.726SS**  trans-59.3110.4166.2176.70000106.4V55 R59V55-V57 PolarHBondContact O-N 3.39Å; V57-R59 PolarHBondContact O-N 3.24Å
58R64.3Low62.7Low234 Ų234139.9 Ų139.988%0.88373%0.728SS**  trans-52.5109.7169.3-78.9179.5169.6137.7-5.1107.1P56 R60P56-R58 PolarHBondContact O-N 3.36Å; R58-R60 PolarHBondContact O-N 3.33Å
59R68.2Low64.2Low249 Ų249143.1 Ų143.194%0.9473%0.726SS**  trans-59.991.7166.4-79.6-177.3161.7123.8-4.1107.2V57 M61V57-R59 PolarHBondContact O-N 3.24Å; R59-M61 PolarHBondContact O-N 2.81Å
60R72.2Confident66.1Low220 Ų220141.5 Ų141.583%0.8373%0.725SS**PPolyproline II helixtrans-63.8120.7159.7-73.3-178.6167.8171.4-4.4105R58 N62R58-R60 PolarHBondContact O-N 3.33Å; R60-N62 PolarHBondContact O-N 3.18Å
61M73Confident67.9Low99 Ų99140.8 Ų140.849%0.48873%0.725SS.*PPolyproline II helixtrans-64.8128.3172.8-168.9151.617500107.1R59 V65 E66R59-M61 PolarHBondContact O-N 2.81Å; M61-V65 HydrophobicContact CE-CB 3.88Å; M61-V65 HydrophobicContact CE-CG1 3.83Å; M61-V65 VanDerWaalsContact CE-O 3.22Å; M61-V65 WeakPolarHBondContact CE-O 3.3Å; M61-V65 HydrophobicContact CG-CB 4.33Å; M61-E66 WeakPolarHBondContact CB-OE1 3.45Å; M61-E66 HydrophobicContact CE-CB 3.97Å; M61-E66 HydrophobicContact CE-CG 3.81Å; M61-E66 HydrophobicContact CG-CB 4.22Å; M61-E66 HydrophobicContact CG-CG 4.1Å; M61-E66 HydrophobicContact SD-CB 4.45Å; M61-E66 HydrophobicContact SD-CG 3.89Å; M61-E66 VanDerWaalsContact SD-OE1 3.4Å
62N71.2Confident70.1Confident100 Ų100141.2 Ų141.254%0.53571%0.714SS.*PPolyproline II helixtrans-73.2138175.1-73.1-11.2000108R60 E64 V65R60-N62 PolarHBondContact O-N 3.18Å; N62-E64 PolarHBondContact O-N 2.91Å; N62-V65 HydrophobicContact CB-CG2 4.17Å; N62-V65 PolarHBondContact O-N 3.47Å
63P68.9Low71.6Confident103 Ų103144.7 Ų144.767%0.66972%0.72SS**Hα-helixtrans-54.5-28.6-177-28.435.4000114.5V65 E66 G67P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 2.99Å; P63-E66 PolarHBondContact O-N 3.3Å; P63-G67 PolarHBondContact O-N 2.92Å
64E72.1Confident72.9Confident183 Ų183143.5 Ų143.586%0.85572%0.715SS**Hα-helixtrans-61.9-33.2176.1-63.1172.2176.400113.4N62 E66N62-E64 PolarHBondContact O-N 2.91Å; E64-E66 VanDerWaalsContact C-N 3.32Å
65V69.1Low74Confident106 Ų106144 Ų14464%0.64271%0.71SS**Hα-helixtrans-82.7-17.6179-160.10000111.2M61 N62 P63M61-V65 HydrophobicContact CE-CB 3.88Å; M61-V65 HydrophobicContact CE-CG1 3.83Å; M61-V65 VanDerWaalsContact CE-O 3.22Å; M61-V65 WeakPolarHBondContact CE-O 3.3Å; M61-V65 HydrophobicContact CG-CB 4.33Å; N62-V65 HydrophobicContact CB-CG2 4.17Å; N62-V65 PolarHBondContact O-N 3.47Å; P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 2.99Å
66E69.2Low74.9Confident77 Ų77139.5 Ų139.536%0.3669%0.685SS.*Hα-helixtrans-97.2-20.4-169.8-140.7166.6-130.400112.6M61 P63 E64 Y69M61-E66 WeakPolarHBondContact CB-OE1 3.45Å; M61-E66 HydrophobicContact CE-CB 3.97Å; M61-E66 HydrophobicContact CE-CG 3.81Å; M61-E66 HydrophobicContact CG-CB 4.22Å; M61-E66 HydrophobicContact CG-CG 4.1Å; M61-E66 HydrophobicContact SD-CB 4.45Å; M61-E66 HydrophobicContact SD-CG 3.89Å; M61-E66 VanDerWaalsContact SD-OE1 3.4Å; P63-E66 PolarHBondContact O-N 3.3Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E66-Y69 HydrophobicContact CB-CE2 4.45Å; E66-Y69 VanDerWaalsContact CD-OH 3.32Å; E66-Y69 HydrophobicContact CG-CE2 3.68Å; E66-Y69 WeakPolarHBondContact CG-OH 3.27Å
67G76.3Confident75.8Confident46 Ų46139 Ų13947%0.47468%0.68SS.*  trans72.4170.5177.300000113.3P63 Y69P63-G67 PolarHBondContact O-N 2.92Å; G67-Y69 PolarHBondContact O-N 3.09Å; G67-Y69 VanDerWaalsContact O-N 3.1Å
68K78.4Confident76.7Confident202 Ų202137 Ų13788%0.87867%0.668SS**  trans-74.9102.2173-64.2-169.7-178-173.60109I70K68-I70 PolarHBondContact O-N 3.38Å
69Y78.3Confident77.8Confident170 Ų170132.2 Ų132.267%0.66766%0.659SS**  trans-58.2104.4174.5-74.7-72.9000111.9E66 G67 V71E66-Y69 HydrophobicContact CB-CE2 4.45Å; E66-Y69 VanDerWaalsContact CD-OH 3.32Å; E66-Y69 HydrophobicContact CG-CE2 3.68Å; E66-Y69 WeakPolarHBondContact CG-OH 3.27Å; G67-Y69 PolarHBondContact O-N 3.09Å; G67-Y69 VanDerWaalsContact O-N 3.1Å; Y69-V71 PolarHBondContact O-N 3.27Å
70I83.1Confident78.9Confident157 Ų157128 Ų12881%0.80565%0.648SS**  trans-87.697.3171.8-57.7175.9000108.9K68 K72K68-I70 PolarHBondContact O-N 3.38Å; I70-K72 PolarHBondContact O-N 3.09Å
71V84.9Confident79.8Confident126 Ų126119.9 Ų119.976%0.76462%0.622SS**  trans-7392175-177.20000109.7Y69 M73Y69-V71 PolarHBondContact O-N 3.27Å; V71-M73 PolarHBondContact O-N 3.19Å
72K87.4Confident80.5Confident165 Ų165120.1 Ų120.172%0.71762%0.622SS**  trans-77.8109.9177.7-170.1170.4-173.2168.70110.7I70I70-K72 PolarHBondContact O-N 3.09Å
73M84.9Confident81.4Confident147 Ų147123 Ų12372%0.72463%0.63SS**  trans-58140.5174.4-67.9-62.5-78.900111.2V71 K75V71-M73 PolarHBondContact O-N 3.19Å; M73-K75 PolarHBondContact O-N 2.98Å; M73-K75 VanDerWaalsContact O-N 3.13Å
74P81.6Confident82.4Confident116 Ų116122 Ų12275%0.75362%0.618SS**  trans-66.9114.8-178.626.4-33.6000110.2G76P74-G76 PolarHBondContact O-N 3.38Å
75K79.5Confident83.2Confident176 Ų176117.3 Ų117.377%0.76560%0.599SS**  trans-61.34.3-178.7-69.9-163.9172.2-1650115.7M73 T77M73-K75 PolarHBondContact O-N 2.98Å; M73-K75 VanDerWaalsContact O-N 3.13Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 HydrophobicContact CB-CG2 4.24Å; K75-T77 PolarHBondContact O-N 3.22Å
76G79Confident84.1Confident11 Ų11114.7 Ų114.711%0.11359%0.588CS.*  trans63.931.3175.500000115.1P74 T78 T81P74-G76 PolarHBondContact O-N 3.38Å; G76-T78 PolarHBondContact O-N 3.43Å; G76-T81 WeakPolarHBondContact O-CB 3.36Å
77T82.8Confident85Confident113 Ų113114 Ų11469%0.69359%0.592SS**  trans-69.3-10.7-176.552.70000114.6K75K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 HydrophobicContact CB-CG2 4.24Å; K75-T77 PolarHBondContact O-N 3.22Å
78T86.4Confident85.5Confident77 Ų77116.6 Ų116.647%0.47259%0.593SS.*SBendtrans-73.2144.4178.582.40000111.4G76 K80 T81 Q82G76-T78 PolarHBondContact O-N 3.43Å; T78-K80 PolarHBondContact O-N 3.38Å; T78-K80 VanDerWaalsContact O-N 3.07Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 PolarHBondContact OG1-N 3.34Å; T78-T81 VanDerWaalsContact OG1-N 3.13Å; T78-T81 PolarHBondContact OG1-OG1 3Å; T78-Q82 PolarHBondContact O-N 2.91Å
79L87.8Confident85.8Confident134 Ų134114.8 Ų114.870%0.70259%0.585SS**Hα-helixtrans-52.1-32.9174.8-68.1173.9000113K83L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 3.42Å; L79-K83 VanDerWaalsContact O-N 3.14Å
80K90Very high86Confident161 Ų161113.3 Ų113.370%0.758%0.584SS**Hα-helixtrans-68.1-46.1176-173.9179.4178.3-176.50111.1T78 K83 I84T78-K80 PolarHBondContact O-N 3.38Å; T78-K80 VanDerWaalsContact O-N 3.07Å; K80-K83 PolarHBondContact O-N 3.14Å; K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.4Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.25Å; K80-I84 PolarHBondContact O-N 3.45Å; K80-I84 VanDerWaalsContact O-N 3.14Å
81T90.9Very high85.8Confident48 Ų48113.1 Ų113.129%0.29458%0.577SS.*Hα-helixtrans-68.5-40.5178.7-46.40000111.7G76 T78 K83 I84 L85G76-T81 WeakPolarHBondContact O-CB 3.36Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 PolarHBondContact OG1-N 3.34Å; T78-T81 VanDerWaalsContact OG1-N 3.13Å; T78-T81 PolarHBondContact OG1-OG1 3Å; T81-K83 PolarHBondContact O-N 3.16Å; T81-I84 PolarHBondContact O-N 2.92Å; T81-I84 VanDerWaalsContact O-N 3.14Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.48Å; T81-L85 PolarHBondContact O-N 3.12Å
82Q88.2Confident85Confident104 Ų104112.2 Ų112.249%0.48657%0.568SS.*Hα-helixtrans-57.5-45.4174-71.2-178.9-11.200112.1T78 I84 L85 A86T78-Q82 PolarHBondContact O-N 2.91Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 2.85Å; Q82-L85 PolarHBondContact O-N 3.14Å; Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 3.36Å
83K91.6Very high83.8Confident161 Ų161107.8 Ų107.870%0.756%0.558SS**Hα-helixtrans-61.3-37.5175.1-76.1-179.4178.5-172.50113.1L79 K80 T81 S87L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 3.42Å; L79-K83 VanDerWaalsContact O-N 3.14Å; K80-K83 PolarHBondContact O-N 3.14Å; T81-K83 PolarHBondContact O-N 3.16Å; K83-S87 PolarHBondContact O-N 3.13Å; K83-S87 VanDerWaalsContact O-N 3.09Å; K83-S87 PolarHBondContact O-OG 2.82Å
84I89.2Confident82.6Confident81 Ų81104.5 Ų104.542%0.41555%0.554SS.*Hα-helixtrans-69.6-44.3176.5-67.2163.8000110.8K80 T81 Q82 A86 S87 M88K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.4Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.25Å; K80-I84 PolarHBondContact O-N 3.45Å; K80-I84 VanDerWaalsContact O-N 3.14Å; T81-I84 PolarHBondContact O-N 2.92Å; T81-I84 VanDerWaalsContact O-N 3.14Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 2.85Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 2.98Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-OG 3.33Å; I84-S87 VanDerWaalsContact O-OG 3.09Å; I84-M88 HydrophobicContact CG2-CG 4.41Å; I84-M88 HydrophobicContact CG2-SD 3.89Å; I84-M88 WeakPolarHBondContact O-CB 3.43Å; I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.37Å; I84-M88 PolarHBondContact O-N 3.14Å
85L89Confident81.5Confident86 Ų86107.8 Ų107.845%0.4556%0.557SS.*Hα-helixtrans-63.9-39.9177.5-69.7171.5000111.7T81 Q82 K89T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.48Å; T81-L85 PolarHBondContact O-N 3.12Å; Q82-L85 PolarHBondContact O-N 3.14Å; L85-K89 WeakPolarHBondContact O-CG 3.44Å; L85-K89 PolarHBondContact O-N 3.31Å
86A87.1Confident80.2Confident50 Ų50103.9 Ų103.941%0.41355%0.551SS.*Hα-helixtrans-64-45.5175.300000112.4Q82 I84 K89 Q90Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 3.36Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 2.98Å; A86-K89 PolarHBondContact O-N 3.31Å; A86-Q90 PolarHBondContact O-N 3.2Å
87S88.9Confident78.7Confident63 Ų63108.1 Ų108.144%0.44158%0.579SS.*Hα-helixtrans-69.7-32.4178.667.70000112.8K83 I84 K91K83-S87 PolarHBondContact O-N 3.13Å; K83-S87 VanDerWaalsContact O-N 3.09Å; K83-S87 PolarHBondContact O-OG 2.82Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-OG 3.33Å; I84-S87 VanDerWaalsContact O-OG 3.09Å; S87-K91 VanDerWaalsContact O-CB 3.26Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 3.42Å
88M87.2Confident77Confident101 Ų101111.4 Ų111.450%0.49859%0.587SS.*Hα-helixtrans-65.2-43.1170.8-73.2177.570.700111.9I84 K91 N92I84-M88 HydrophobicContact CG2-CG 4.41Å; I84-M88 HydrophobicContact CG2-SD 3.89Å; I84-M88 WeakPolarHBondContact O-CB 3.43Å; I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.37Å; I84-M88 PolarHBondContact O-N 3.14Å; M88-K91 PolarHBondContact O-N 2.93Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 VanDerWaalsContact O-CG 3.28Å; M88-N92 PolarHBondContact O-N 3.4Å; M88-N92 PolarHBondContact O-OD1 2.92Å
89K84.6Confident75.1Confident163 Ų163113.2 Ų113.271%0.70960%0.6SS**Hα-helixtrans-58.4-49.3174.4-76.4-177.8176.5-166.30111.6L85 A86 K91 N92 S93L85-K89 WeakPolarHBondContact O-CG 3.44Å; L85-K89 PolarHBondContact O-N 3.31Å; A86-K89 PolarHBondContact O-N 3.31Å; K89-K91 PolarHBondContact O-N 3.13Å; K89-N92 PolarHBondContact O-N 2.94Å; K89-S93 PolarHBondContact O-N 3.07Å; K89-S93 PolarHBondContact O-OG 3.04Å
90Q81.2Confident73.1Confident139 Ų139116.1 Ų116.165%0.6561%0.61SS**Hα-helixtrans-62.4-39.8177.5-71.8178.5-27.500113.1A86 N92 S93 A94A86-Q90 PolarHBondContact O-N 3.2Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; Q90-N92 PolarHBondContact O-N 3.21Å; Q90-S93 PolarHBondContact O-OG 3.11Å; Q90-S93 VanDerWaalsContact O-OG 3.09Å; Q90-A94 WeakPolarHBondContact O-CB 3.3Å; Q90-A94 PolarHBondContact O-N 3.29Å; Q90-A94 VanDerWaalsContact O-N 3.17Å
91K80Confident71.1Confident153 Ų153115 Ų11567%0.66562%0.616SS**Hα-helixtrans-68.9-29.7178.6-171.7176-179.7-177.50112.7S87 M88 K89S87-K91 VanDerWaalsContact O-CB 3.26Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 3.42Å; M88-K91 PolarHBondContact O-N 2.93Å; K89-K91 PolarHBondContact O-N 3.13Å
92N67.9Low69Low107 Ų107117.2 Ų117.257%0.57264%0.639SS**Hα-helixtrans-81.7-41.4177.4-69.80.9000111.6M88 K89 Q90 A94 K95M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 VanDerWaalsContact O-CG 3.28Å; M88-N92 PolarHBondContact O-N 3.4Å; M88-N92 PolarHBondContact O-OD1 2.92Å; K89-N92 PolarHBondContact O-N 2.94Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; Q90-N92 PolarHBondContact O-N 3.21Å; N92-A94 VanDerWaalsContact C-N 3.26Å; N92-A94 PolarHBondContact O-N 2.95Å; N92-K95 PolarHBondContact O-N 3.33Å
93S61.7Low67Low73 Ų73121.7 Ų121.751%0.5166%0.657SS.*Hα-helixtrans-63.5-31.8176.262.10000112.8K89 Q90 K95 S96K89-S93 PolarHBondContact O-N 3.07Å; K89-S93 PolarHBondContact O-OG 3.04Å; Q90-S93 PolarHBondContact O-OG 3.11Å; Q90-S93 VanDerWaalsContact O-OG 3.09Å; S93-K95 PolarHBondContact O-N 2.96Å; S93-K95 VanDerWaalsContact O-N 3.14Å; S93-S96 PolarHBondContact O-N 3.08Å
94A60.2Low64.5Low77 Ų77118.7 Ų118.764%0.63666%0.663SS**THydrogen-bonded Turntrans-69.9-0.2174.300000114.6Q90 N92Q90-A94 WeakPolarHBondContact O-CB 3.3Å; Q90-A94 PolarHBondContact O-N 3.29Å; Q90-A94 VanDerWaalsContact O-N 3.17Å; N92-A94 VanDerWaalsContact C-N 3.26Å; N92-A94 PolarHBondContact O-N 2.95Å
95K57.6Low62.3Low186 Ų186119.8 Ų119.881%0.80968%0.684SS**THydrogen-bonded Turntrans-114.5-0.5174.2-73.4-166.9169.6-162.40114.2N92 S93N92-K95 PolarHBondContact O-N 3.33Å; S93-K95 PolarHBondContact O-N 2.96Å; S93-K95 VanDerWaalsContact O-N 3.14Å
96S52.2Low60.2Low93 Ų93125.5 Ų125.565%0.6571%0.705SS**  trans-122.748.2177.666.50000111.4S93 Q98S93-S96 PolarHBondContact O-N 3.08Å; S96-Q98 PolarHBondContact O-N 3Å
97S47.9Very low58.2Low100 Ų100129.7 Ų129.770%0.69973%0.726SS**  trans-90.576.1173.360.30000111
98Q48.2Very low56.1Low183 Ų183133.1 Ų133.186%0.85574%0.739SS**  trans-101.2109.5150.7-86.4-72-19.200106.2S96S96-Q98 PolarHBondContact O-N 3Å
99P45.9Very low54.3Low114 Ų114136.1 Ų136.174%0.7475%0.752SS**  trans-92.3101.8-178.933.4-28.7000110.2
100E45.4Very low52.8Low196 Ų196133.8 Ų133.892%0.91675%0.753SS**  trans-94.2149.8166.6-162.5167.6-171.600111.4
101V47.4Very low51.5Low137 Ų137132.6 Ų132.683%0.8376%0.757SS**  trans-100.9117.3-158.4175.20000111.7
102A46.9Very low50Low94 Ų94132.4 Ų132.478%0.77777%0.769SS**  trans-151.2111.716000000114.3
103K46.6Very low49Very low198 Ų198132.5 Ų132.586%0.86178%0.778SS**  trans-3.9122.1149.7-60.9165.9-178.1175.80115.7
104A39.4Very low48.4Very low99 Ų99134.3 Ų134.382%0.81879%0.79SS**  69.598.167.100000115.2
105A42.6Very low47.9Very low104 Ų104135.9 Ų135.986%0.8679%0.793SS**  trans-160.8133.7142.300000109.6
106K44.4Very low47.5Very low205 Ų205135.7 Ų135.789%0.89179%0.792SS**  trans-99.9134.8165.7-72.8175.1175.4176.80108
107T45.4Very low47.9Very low139 Ų139138 Ų13885%0.85379%0.793SS**  trans-144.8141.7154.2-21.80000108.9
108N45.9Very low48.3Very low134 Ų134140 Ų14072%0.71780%0.795SS**  trans-87.3-175.8-176.5-68.1-26.4000112.2
109E48.7Very low48.5Very low165 Ų165135.6 Ų135.677%0.77179%0.785SS**  trans94.5113.7164.3-47.7-43.5135.800117.7
110P52.9Low49.1Very low113 Ų113137.6 Ų137.673%0.73479%0.789SS**  trans-107.2-167.4174.142.6-33.3000111.5
111P54.4Low49.8Very low114 Ų114132.2 Ų132.274%0.7478%0.778SS**  -124.8152.3-63.636.3-22.7000111.4
112V48.3Very low50.3Low150 Ų150132.2 Ų132.291%0.90977%0.774SS**  trans-131.4148.5161.9-79.10000111.6
113S48.1Very low51.1Low109 Ų109135.2 Ų135.276%0.76278%0.776SS**  trans-72.1157.6-168.950.90000115.1
114S48.6Very low51.4Low110 Ų110130.5 Ų130.577%0.76977%0.767SS**  trans123.1157.313874.60000116.2
115T50Low52.5Low111 Ų111130.3 Ų130.368%0.68175%0.753SS**  trans74.494.2172.8-40.10000115.9E117T115-E117 HydrophobicContact CG2-CG 4.07Å; T115-E117 PolarHBondContact O-N 3.1Å
116F48.7Very low53.6Low181 Ų181132.9 Ų132.979%0.79475%0.752SS**  trans-84.692.1162.5-166.1-82.6000107.3D118F116-D118 HydrophobicContact CD1-CB 4.08Å; F116-D118 HydrophobicContact CE1-CB 4.09Å; F116-D118 PolarHBondContact O-N 3.02Å
117E61.3Low54.6Low143 Ų143131.6 Ų131.667%0.66874%0.743SS**  trans-72.298.9168.8-84.8-67.8135.500108.7T115 S119T115-E117 HydrophobicContact CG2-CG 4.07Å; T115-E117 PolarHBondContact O-N 3.1Å; E117-S119 PolarHBondContact O-N 3.17Å; E117-S119 PolarHBondContact OE2-OG 3.22Å
118D54.8Low55.9Low141 Ų141134.7 Ų134.775%0.75474%0.739SS**  trans-81.865.5172.1-149.420000108.6F116 D120F116-D118 HydrophobicContact CD1-CB 4.08Å; F116-D118 HydrophobicContact CE1-CB 4.09Å; F116-D118 PolarHBondContact O-N 3.02Å; D118-D120 PolarHBondContact O-N 3.41Å
119S53.8Low57.1Low90 Ų90134 Ų13463%0.62974%0.739SS**  trans-83.396.8179-87.20000110.7E117E117-S119 PolarHBondContact O-N 3.17Å; E117-S119 PolarHBondContact OE2-OG 3.22Å
120D57.2Low58Low157 Ų157131.4 Ų131.484%0.8473%0.73SS**  trans-51.3126.2164.9-156.67.6000110.5D118D118-D120 PolarHBondContact O-N 3.41Å
121A61.5Low58.9Low83 Ų83133.1 Ų133.169%0.68673%0.731SS**  trans-147120.1177.400000110.3D123A121-D123 PolarHBondContact O-N 3.41Å
122D57.6Low59.5Low137 Ų137132.2 Ų132.273%0.73373%0.727SS**  trans-70.990-167.1-56.2-96.1000114.8C124D122-C124 PolarHBondContact O-N 3.43Å
123D62.5Low60.2Low156 Ų156134.7 Ų134.783%0.83473%0.726SS**  trans-86.670.9153.6-101.7-24.8000109.7A121 D125A121-D123 PolarHBondContact O-N 3.41Å; D123-D125 PolarHBondContact O-N 2.99Å
124C54.4Low61Low99 Ų99133.6 Ų133.667%0.66972%0.718SS**  trans-7362.1169-78.30000110.6D122 N126D122-C124 PolarHBondContact O-N 3.43Å; C124-N126 VanDerWaalsContact C-N 3.27Å; C124-N126 PolarHBondContact O-N 3.16Å
125D61.8Low61.2Low96 Ų96134.7 Ų134.751%0.51372%0.715SS.*  trans-7386.3-178.2-135.4-4000108.7D123 Y127D123-D125 PolarHBondContact O-N 2.99Å; D125-Y127 HydrophobicContact CB-CD2 4.01Å; D125-Y127 HydrophobicContact CB-CE2 3.58Å; D125-Y127 WeakPolarHBondContact O-CD2 3.41Å; D125-Y127 PolarHBondContact O-N 3.34Å; D125-Y127 PolarHBondContact OD1-OH 3.22Å; D125-Y127 WeakPolarHBondContact OD2-CE2 3.43Å; D125-Y127 PolarHBondContact OD2-OH 2.92Å
126N64.9Low61.5Low158 Ų158134.8 Ų134.885%0.84572%0.716SS**  trans-7852.7-163-133.822.7000111.5C124 R128C124-N126 VanDerWaalsContact C-N 3.27Å; C124-N126 PolarHBondContact O-N 3.16Å; N126-R128 VanDerWaalsContact C-N 3.28Å; N126-R128 PolarHBondContact O-N 3.38Å
127Y66.9Low61.6Low177 Ų177133.8 Ų133.869%0.69471%0.713SS**  trans-66.783178.3-64.2-64.5000111.3D125 V129D125-Y127 HydrophobicContact CB-CD2 4.01Å; D125-Y127 HydrophobicContact CB-CE2 3.58Å; D125-Y127 WeakPolarHBondContact O-CD2 3.41Å; D125-Y127 PolarHBondContact O-N 3.34Å; D125-Y127 PolarHBondContact OD1-OH 3.22Å; D125-Y127 WeakPolarHBondContact OD2-CE2 3.43Å; D125-Y127 PolarHBondContact OD2-OH 2.92Å; Y127-V129 PolarHBondContact O-N 3.1Å
128R71Confident61.1Low204 Ų204130.6 Ų130.677%0.7772%0.719SS**  trans-70.798167.1-165.6173.2-168.7-108.63.9108.7N126 I130N126-R128 VanDerWaalsContact C-N 3.28Å; N126-R128 PolarHBondContact O-N 3.38Å; R128-I130 VanDerWaalsContact C-N 3.31Å; R128-I130 HydrophobicContact CG-CG1 4.18Å; R128-I130 PolarHBondContact O-N 3.19Å
129V72.2Confident61.1Low121 Ų121129.3 Ų129.373%0.73372%0.721SS**  trans-65.791.7170.9-178.40000108.9Y127 I131Y127-V129 PolarHBondContact O-N 3.1Å; V129-I131 HydrophobicContact CG1-CG1 4.13Å; V129-I131 PolarHBondContact O-N 2.92Å
130I67.5Low61.1Low110 Ų110131.8 Ų131.856%0.56473%0.732SS**  trans-78.9101.5172-56.9179.6000107.3R128 S132R128-I130 VanDerWaalsContact C-N 3.31Å; R128-I130 HydrophobicContact CG-CG1 4.18Å; R128-I130 PolarHBondContact O-N 3.19Å; I130-S132 WeakPolarHBondContact CG2-OG 3.5Å; I130-S132 PolarHBondContact O-N 2.81Å
131I72Confident60.9Low149 Ų149128.3 Ų128.376%0.76472%0.721SS**  trans-74.275.6167.9-51.8178.7000108V129 K133V129-I131 HydrophobicContact CG1-CG1 4.13Å; V129-I131 PolarHBondContact O-N 2.92Å; I131-K133 PolarHBondContact O-N 3.37Å
132S66.4Low61Low94 Ų94129 Ų12966%0.65772%0.721SS**  trans-62.2114.2167.5-68.10000108I130 S134I130-S132 WeakPolarHBondContact CG2-OG 3.5Å; I130-S132 PolarHBondContact O-N 2.81Å; S132-S134 VanDerWaalsContact C-N 3.33Å; S132-S134 PolarHBondContact O-N 3.01Å
133K63.7Low61.7Low202 Ų202128.2 Ų128.288%0.87872%0.716SS**  trans-66.496167.7-71.8-177.7178.4178.90107.9I131 N135I131-K133 PolarHBondContact O-N 3.37Å; K133-N135 PolarHBondContact O-N 3.08Å; K133-N135 VanDerWaalsContact O-N 3.1Å
134S64Low62.2Low86 Ų86123.2 Ų123.260%0.60169%0.693SS**  trans-62.6111.716554.70000107.7S132 T136S132-S134 VanDerWaalsContact C-N 3.33Å; S132-S134 PolarHBondContact O-N 3.01Å; S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact O-OG1 2.95Å
135N53.6Low63.4Low134 Ų134123.2 Ų123.272%0.71769%0.69SS**  trans-75.458.4171.6-168.242.9000110K133 H137K133-N135 PolarHBondContact O-N 3.08Å; K133-N135 VanDerWaalsContact O-N 3.1Å; N135-H137 PolarHBondContact ND2-CD2 2.9Å; N135-H137 PolarHBondContact ND2-NE2 3Å; N135-H137 PolarHBondContact O-N 2.77Å; N135-H137 VanDerWaalsContact O-N 3.14Å
136T55.1Low64.1Low112 Ų112126.9 Ų126.969%0.68770%0.702SS**  trans-80.988.8175.641.40000108.7S134S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact O-OG1 2.95Å
137H52.4Low64.3Low160 Ų160123.1 Ų123.174%0.74169%0.688SS**  trans-56.1143.3155.6-68.6-110.1000108.9N135N135-H137 PolarHBondContact ND2-CD2 2.9Å; N135-H137 PolarHBondContact ND2-NE2 3Å; N135-H137 PolarHBondContact O-N 2.77Å; N135-H137 VanDerWaalsContact O-N 3.14Å
138G50.5Low64.6Low76 Ų76122.9 Ų122.978%0.78469%0.686SS**  trans82.771.7163.300000117.2
139S55.1Low64.9Low115 Ų115120.1 Ų120.180%0.80469%0.685SS**  trans-15286.4136.6-162.80000110S141S139-S141 PolarHBondContact O-N 2.99Å
140T51.8Low64.5Low141 Ų141116.7 Ų116.787%0.86568%0.675SS**  trans-77.968.7179.6510000110.7S142T140-S142 PolarHBondContact O-N 3.4Å
141S53.4Low64Low85 Ų85118.9 Ų118.959%0.59469%0.688SS**  trans-68.7103166.6-164.10000108.4S139 D143S139-S141 PolarHBondContact O-N 2.99Å; S141-D143 PolarHBondContact O-N 3.41Å
142S65Low63.1Low98 Ų98116.1 Ų116.169%0.68569%0.687SS**THydrogen-bonded Turntrans-67.4-1.3-168.747.50000115.1T140T140-S142 PolarHBondContact O-N 3.4Å
143D70.7Confident62.8Low120 Ų120117 Ų11764%0.64269%0.689SS**THydrogen-bonded Turntrans-100.6-0.3-173.5-117.60.6000115.2S141 V145 R148S141-D143 PolarHBondContact O-N 3.41Å; D143-V145 PolarHBondContact O-N 3.43Å; D143-R148 IonicContact OD1-CZ 3.97Å; D143-R148 IonicContact OD1-NH2 2.81Å; D143-R148 PolarHBondContact OD1-NH2 3.11Å
144S74.7Confident62.2Low50 Ų50114.2 Ų114.235%0.3568%0.683SS.*  trans-72.6123.3171.8179.70000111.6F146 S147 R148S144-F146 PolarHBondContact O-N 2.75Å; S144-F146 VanDerWaalsContact O-N 3.16Å; S144-F146 PolarHBondContact OG-N 3.23Å; S144-S147 WeakPolarHBondContact O-CB 3.3Å; S144-S147 PolarHBondContact O-N 2.98Å; S144-R148 PolarHBondContact O-N 3.24Å
145V78.4Confident61.6Low99 Ų99120.6 Ų120.660%0.669%0.694SS**THydrogen-bonded Turntrans-56.1-31.5175.2-178.40000111.8D143 R148 L149D143-V145 PolarHBondContact O-N 3.43Å; V145-R148 PolarHBondContact O-N 2.83Å; V145-L149 HydrophobicContact CG1-CD1 4.32Å; V145-L149 PolarHBondContact O-N 3.33Å
146F76.1Confident61.5Low173 Ų173122.7 Ų122.776%0.75970%0.699SS**THydrogen-bonded Turntrans-69.9-35.6176.8-63.7-78.4000112.5S144 R148 L149 G150S144-F146 PolarHBondContact O-N 2.75Å; S144-F146 VanDerWaalsContact O-N 3.16Å; S144-F146 PolarHBondContact OG-N 3.23Å; F146-R148 PolarHBondContact O-N 2.99Å; F146-L149 PolarHBondContact O-N 3.27Å; F146-G150 PolarHBondContact O-N 3.26Å
147S70.9Confident61Low80 Ų80124.2 Ų124.256%0.55970%0.704SS**THydrogen-bonded Turntrans-65.3-29.6173.8-53.50000112.1S144 L149S144-S147 WeakPolarHBondContact O-CB 3.3Å; S144-S147 PolarHBondContact O-N 2.98Å; S147-L149 VanDerWaalsContact C-N 3.32Å
148R73Confident60.4Low172 Ų172122.1 Ų122.165%0.64971%0.707SS**THydrogen-bonded Turntrans-77.8-13.9177.3-59.5-175.7-176.2-165.96.1113.9D143 S144 V145 F146D143-R148 IonicContact OD1-CZ 3.97Å; D143-R148 IonicContact OD1-NH2 2.81Å; D143-R148 PolarHBondContact OD1-NH2 3.11Å; S144-R148 PolarHBondContact O-N 3.24Å; V145-R148 PolarHBondContact O-N 2.83Å; F146-R148 PolarHBondContact O-N 2.99Å
149L76.4Confident60.1Low145 Ų145124.3 Ų124.376%0.75971%0.707SS**THydrogen-bonded Turntrans-115.4-8.2-179.2-64.3175.3000113.3V145 F146 S147V145-L149 HydrophobicContact CG1-CD1 4.32Å; V145-L149 PolarHBondContact O-N 3.33Å; F146-L149 PolarHBondContact O-N 3.27Å; S147-L149 VanDerWaalsContact C-N 3.32Å
150G63.1Low59.5Low50 Ų50125.3 Ų125.352%0.51571%0.709SS.*SBendtrans-84.7117179.400000112.1F146 A152F146-G150 PolarHBondContact O-N 3.26Å; G150-A152 PolarHBondContact O-N 3.34Å; G150-A152 VanDerWaalsContact O-N 3.12Å
151N57.5Low59.1Low155 Ų155123 Ų12383%0.82970%0.698SS**  trans-52.7117.5165.2-97.811.9000109.9V153N151-V153 VanDerWaalsContact C-N 3.31Å; N151-V153 PolarHBondContact O-N 2.71Å
152A54.2Low58.3Low91 Ų91125.2 Ų125.275%0.75271%0.708SS**  trans-69.389.1166.900000109.5G150 N154G150-A152 PolarHBondContact O-N 3.34Å; G150-A152 VanDerWaalsContact O-N 3.12Å; A152-N154 PolarHBondContact O-N 3Å
153V59.4Low57Low114 Ų114128.3 Ų128.369%0.69172%0.716SS**  trans-82.894.2164.9-86.50000108.6N151 R155N151-V153 VanDerWaalsContact C-N 3.31Å; N151-V153 PolarHBondContact O-N 2.71Å; V153-R155 PolarHBondContact O-N 3.22Å
154N51.8Low55.5Low142 Ų142130 Ų13076%0.75972%0.723SS**  trans-55124.2167.8-63.6-23.3000108.7A152A152-N154 PolarHBondContact O-N 3Å
155R50.3Low54.1Low220 Ų220137 Ų13783%0.8375%0.748SS**  trans-118.6100.2167.1-72.2-171.2177.6-155.3-0.5106.8V153V153-R155 PolarHBondContact O-N 3.22Å
156E52.8Low52.6Low178 Ų178141 Ų14183%0.83276%0.757SS**  trans-78.6143.3154.4-104.979.1-161.800108.9
157D43.5Very low51Low145 Ų145138.1 Ų138.178%0.77575%0.753SS**  trans-88.3154-171.2-59.5-74.1000113.8
158S41Very low49.9Very low115 Ų115141.3 Ų141.380%0.80476%0.763SS**  173130.5123.4-790000112.4
159P43Very low48.5Very low122 Ų122140 Ų14079%0.79277%0.768SS**  trans-116122-179.537.3-26.2000114.7
160T43.5Very low46.9Very low137 Ų137138.9 Ų138.984%0.8477%0.77SS**  trans-166.3147.7162.711.70000109.3
161S42.7Very low46.3Very low91 Ų91142.6 Ų142.664%0.63679%0.788SS**  cis171.2136.7-34.161.20000105.9
162V37.4Very low45.8Very low132 Ų132139 Ų13980%0.878%0.779SS**  trans66.2124.2159.5-167.50000116.3
163L37Very low45.1Very low164 Ų164140 Ų14086%0.85979%0.788SS**  -168.6155.174.7-170.363.6000112
164I39.4Very low44.3Very low155 Ų155142.3 Ų142.380%0.79579%0.793SS**  trans-117.9134.2-173.7-61.8165.9000111.8
165K45.8Very low44.2Very low198 Ų198144.6 Ų144.686%0.86180%0.799SS**  trans-160.2109.3155.2-140.1169.8177.2177.80107.5
166K46.4Very low43.8Very low183 Ų183145.1 Ų145.180%0.79680%0.801SS**  53.2125.771.2-119.2177179.4177.60110.9
167T41Very low43.5Very low111 Ų111146.7 Ų146.768%0.68181%0.806SS**  cis-161177.630.8-41.70000110.4
168I47.6Very low43.6Very low148 Ų148147.7 Ų147.776%0.75981%0.809SS**  trans77.3129.6163.6-56.7149.3000114.5
169D44.4Very low43.8Very low144 Ų144153.7 Ų153.777%0.7781%0.814SS**  cis-146.3160.6-8.4-117.2-13.2000111.3
170P43.3Very low43.8Very low122 Ų122159.2 Ų159.279%0.79282%0.82SS**  trans-103.3102.9-168.136.7-30.4000114.8
171S49.4Very low43.6Very low127 Ų127158.6 Ų158.689%0.88881%0.811SS**  trans-134.85.8174.2-161.10000115.6
172A47.7Very low43.6Very low79 Ų79162 Ų16265%0.65382%0.821SS**  trans-135.480.3-179.600000112M174A172-M174 VanDerWaalsContact C-N 3.25Å; A172-M174 PolarHBondContact O-N 3.36Å
173A39.7Very low43.7Very low113 Ų113162 Ų16293%0.93482%0.817SS**  trans-849.8178.600000114.2
174M42.7Very low44.1Very low163 Ų163160.9 Ų160.980%0.80381%0.812SS**SBendtrans-126.4154.4171.7-66.4-175.9-72.100109.2A172A172-M174 VanDerWaalsContact C-N 3.25Å; A172-M174 PolarHBondContact O-N 3.36Å
175Q49.9Very low44.1Very low190 Ų190160.8 Ų160.889%0.88881%0.813SS**  trans84.723.3178.8-46.1-174.922.200119.1F177Q175-F177 PolarHBondContact O-N 3.35Å
176R41.3Very low43.7Very low230 Ų230156.2 Ų156.287%0.86881%0.806SS**THydrogen-bonded Turntrans-9565165.1-66.1-165.1-170.9-149.43113.5
177F46.6Very low43.5Very low211 Ų211155.8 Ų155.893%0.92581%0.811SS**THydrogen-bonded Turntrans-141.7-1166-94.6-72.2000115.1Q175Q175-F177 PolarHBondContact O-N 3.35Å
178I46.6Very low43.3Very low166 Ų166154.4 Ų154.485%0.85182%0.819SS**SBendtrans-137.973.6-178.1-49.1177.8000110.2
179R43.6Very low43.1Very low241 Ų241152.7 Ų152.791%0.90982%0.82SS**  trans-167.982.3160.8-166.2163.7165.2-164.4-6.2111.9
180W44.8Very low43.3Very low238 Ų238150.6 Ų150.690%0.90282%0.815SS**SBendtrans-119100.2152.4-152.8-68.8000107.7
181N38.8Very low43.2Very low125 Ų125153.5 Ų153.567%0.66882%0.815SS**  trans39.189.4167-58.5-24.1000118.6
182L42.1Very low43.1Very low162 Ų162157.8 Ų157.885%0.84881%0.812SS**  -77.2163.1127.7-83.2147.4000108.9
183N40.5Very low43.1Very low132 Ų132158.6 Ų158.671%0.70681%0.81SS**  trans72.1134.2-174.2-72.564.1000114.1
184D43.8Very low43.3Very low141 Ų141159 Ų15975%0.75480%0.803SS**  cis-130159.18.4-83.5-58.6000114.3
185N40.2Very low44.2Very low153 Ų153157.3 Ų157.382%0.81881%0.805SS**  trans-73.8175.3171.2-67.6-55000112
186S36.8Very low43.9Very low101 Ų101153.1 Ų153.171%0.70680%0.797SS**  trans99.8117144.4-102.60000120.3
187L42.7Very low44Very low174 Ų174148.7 Ų148.791%0.91179%0.794SS**  trans78134.7140.4-57159.5000118.7
188G36.8Very low43.9Very low82 Ų82145.4 Ų145.485%0.84579%0.792SS**  trans156.718.9169.100000120.9
189S43.6Very low43.6Very low112 Ų112146.5 Ų146.578%0.78379%0.794SS**  trans-56168.5167.3173.90000113.9
190P49Very low43.5Very low101 Ų101141.2 Ų141.266%0.65679%0.788SS**  cis-135.2-167.3-34.437.7-19.6000113.2
191F41.3Very low43.2Very low182 Ų182138.2 Ų138.280%0.79879%0.786SS**  trans156.9108.7135.7-102.3-100000109.8
192R45.9Very low43.4Very low218 Ų218140.7 Ų140.782%0.82380%0.796SS**  99.9164.985.2-131.9-154.5168.2-154.1-0.9111.8
193P47.9Very low43.2Very low95 Ų95139.4 Ų139.462%0.61780%0.795SS**  -120.7175.7-102.441.6-26.1000115.3
194P45.1Very low43.6Very low122 Ų122138.3 Ų138.379%0.79280%0.798SS**PPolyproline II helixtrans-95.9157.9-178.337.5-34.7000114.5
195P60.2Low44Very low127 Ų127136.7 Ų136.783%0.82580%0.797SS**PPolyproline II helixtrans-96.9151.3171.136.1-31.8000114.8
196S44.2Very low44.2Very low103 Ų103137.7 Ų137.772%0.7280%0.797SS**PPolyproline II helixtrans-61.4150.6-179.546.40000118.7
197V43.9Very low44.6Very low136 Ų136140.9 Ų140.982%0.82481%0.806SS**  trans0.4136.7148-760000120.8
198T44Very low44.7Very low143 Ų143137 Ų13788%0.87779%0.794SS**  trans-150.2133.4138.2-4.90000111
199E40.1Very low45.5Very low189 Ų189140 Ų14088%0.88379%0.789SS**  trans-82.8139.2171.1-58.3174.5137.600110
200T41.7Very low45.8Very low129 Ų129141.2 Ų141.279%0.79179%0.787SS**  trans-147.3123.7156.1-65.30000109.3
201M38.5Very low45.9Very low175 Ų175144.6 Ų144.686%0.86279%0.792SS**  trans-72.3134.5170.2-65.5-177.2164.700110.6
202M43.6Very low46.4Very low177 Ų177145 Ų14587%0.87279%0.794SS**  trans-142.1125.7149.2-86.9-57.4159.400110.5
203T38.5Very low46.6Very low136 Ų136141.3 Ų141.383%0.83480%0.795SS**  trans-95.4128.3175.548.60000110.6
204S48.9Very low46.9Very low108 Ų108142.6 Ų142.676%0.75580%0.801SS**  trans-143.9113.8155.345.20000106.6
205S50.4Low47.6Very low107 Ų107145.3 Ų145.375%0.74880%0.8SS**  6392.583.2-62.10000110.6
206E45.6Very low46.9Very low175 Ų175147.4 Ų147.482%0.81880%0.799SS**  9894.188.7-79.1-97139.400109.1
207D44.9Very low47.2Very low168 Ų168147.8 Ų147.890%0.89880%0.797SS**  trans-149.4102.3157.4-122.2-24.6000110.8
208S44.2Very low47.2Very low92 Ų92146.5 Ų146.564%0.64379%0.794SS**  trans-93.8104.5-174.5-87.50000112.1N210S208-N210 PolarHBondContact O-N 3.14Å
209L53.3Low47.3Very low144 Ų144144.4 Ų144.475%0.75479%0.785SS**  trans-100.172.9166.9-79.8168.6000112.1F211L209-F211 HydrophobicContact CB-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CZ 4.01Å; L209-F211 PolarHBondContact O-N 2.98Å
210N50.2Low47.5Very low139 Ų139142.9 Ų142.974%0.74378%0.782SS**  trans-81.587.5176.3-81.2-62.8000112.5S208 K212S208-N210 PolarHBondContact O-N 3.14Å; N210-K212 PolarHBondContact O-N 3.03Å; N210-K212 VanDerWaalsContact O-N 3.15Å
211F51.7Low47.6Very low171 Ų171142.5 Ų142.575%0.7578%0.779SS**  trans-80.290.9171-66.9-74.5000112.2L209 V213L209-F211 HydrophobicContact CB-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CZ 4.01Å; L209-F211 PolarHBondContact O-N 2.98Å; F211-V213 PolarHBondContact O-N 3.49Å
212K52.2Low48.4Very low192 Ų192143.2 Ų143.284%0.83578%0.778SS**  trans-74101.5168.3-86.9-170.8174.4-178.70111.4N210 V214N210-K212 PolarHBondContact O-N 3.03Å; N210-K212 VanDerWaalsContact O-N 3.15Å; K212-V214 PolarHBondContact O-N 2.86Å; K212-V214 VanDerWaalsContact O-N 3.17Å
213V50.3Low48.3Very low139 Ų139142.2 Ų142.284%0.84278%0.776SS**  trans-78.394.3165.4-179.10000109.6F211 K215F211-V213 PolarHBondContact O-N 3.49Å; V213-K215 PolarHBondContact O-N 2.99Å
214V53.3Low48.9Very low123 Ų123142.5 Ų142.575%0.74578%0.777SS**  trans-79.6108.2171.9176.30000109.4K212 Q216K212-V214 PolarHBondContact O-N 2.86Å; K212-V214 VanDerWaalsContact O-N 3.17Å; V214-Q216 PolarHBondContact O-N 3.11Å
215K59.5Low48.7Very low178 Ų178144.1 Ų144.177%0.77478%0.777SS**  trans-81.7100.8171.8-176176.9178.9177.40110V213 V217V213-K215 PolarHBondContact O-N 2.99Å; K215-V217 HydrophobicContact CG-CG2 4.38Å; K215-V217 PolarHBondContact O-N 3.33Å
216Q47Very low48.9Very low172 Ų172147.3 Ų147.380%0.80478%0.78SS**  trans-67.9115.6174.2-160.1172.82.900110V214V214-Q216 PolarHBondContact O-N 3.11Å
217V50.3Low48.8Very low111 Ų111145 Ų14567%0.67378%0.781SS**  trans-105.698.5175.3177.80000108.5K215 S219K215-V217 HydrophobicContact CG-CG2 4.38Å; K215-V217 PolarHBondContact O-N 3.33Å; V217-S219 PolarHBondContact O-N 3.41Å
218S43.2Very low49.3Very low109 Ų109143.6 Ų143.676%0.76277%0.772SS**  trans-78.994171.3-620000110.3
219S45.2Very low49.3Very low99 Ų99149.2 Ų149.269%0.69279%0.785SS**  trans-90.592.8166.355.70000110V217 T221V217-S219 PolarHBondContact O-N 3.41Å; S219-T221 PolarHBondContact O-N 2.86Å
220L44.5Very low49.3Very low156 Ų156149.4 Ų149.482%0.81779%0.786SS**  trans-83.5105.2171.8-172.966.3000109.9
221T44.1Very low49.2Very low121 Ų121155 Ų15574%0.74280%0.796SS**  trans-78.8122.1174.749.90000111.4S219S219-T221 PolarHBondContact O-N 2.86Å
222K54.6Low49.5Very low190 Ų190153 Ų15383%0.82680%0.798SS**  trans-140.5117.8154.3-69.6-164.8177.7-173.30109.7
223N41.6Very low49.4Very low157 Ų157149.3 Ų149.384%0.8479%0.794SS**  trans-74.9139171.3-64.3-63.3000109.7
224V51.2Low49.7Very low141 Ų141149.5 Ų149.586%0.85579%0.79SS**  trans-144.5136.2151178.70000107.5
225D46.2Very low49.9Very low142 Ų142152.6 Ų152.676%0.75979%0.793SS**  trans-73.8147-172.5-51.7-85.4000114.3
226Q54.1Low49.8Very low174 Ų174154.2 Ų154.281%0.81379%0.794SS**  176.6142.9121.5-97.5179.849.200112.3
227P42.6Very low50.4Low128 Ų128154 Ų15483%0.83179%0.793SS**  trans-98.6105.8-178.135.6-30.5000113
228I55Low50.9Low138 Ų138153.2 Ų153.271%0.70880%0.798SS**  trans-119.3119.3167.7-59.2-178000110.4L230I228-L230 PolarHBondContact O-N 3.4Å; I228-L230 VanDerWaalsContact O-N 3.1Å
229K45.2Very low51.9Low210 Ų210152.1 Ų152.191%0.91379%0.791SS**  trans-69.797.8-177.1-68.7170.7177.3169.90111.5
230L52.7Low52.6Low148 Ų148154 Ų15478%0.77579%0.793SS**  trans-129.2125.9166.8-72.5174.7000111.8I228 T232I228-L230 PolarHBondContact O-N 3.4Å; I228-L230 VanDerWaalsContact O-N 3.1Å; L230-T232 PolarHBondContact O-N 3.22Å
231R49.6Very low53.4Low256 Ų256150.1 Ų150.197%0.96678%0.776SS**  trans-55.4114.5179.6-91.2174.2158.7161.5-6.4111.2
232T57.1Low54.3Low129 Ų129149.5 Ų149.579%0.79177%0.772SS**  trans-83.9138.4170.147.30000111.1L230L230-T232 PolarHBondContact O-N 3.22Å
233P50.7Low54.7Low114 Ų114147.8 Ų147.874%0.7476%0.764SS**  trans-71.8140.9173.529.4-33.6000110.7K235P233-K235 PolarHBondContact O-N 3.11Å
234L55Low55.7Low144 Ų144143.5 Ų143.575%0.75475%0.747SS**  trans-65.884.7-177.2-172.472.1000112R236L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 HydrophobicContact CD2-CG 4.3Å; L234-R236 HydrophobicContact CG-CG 4.22Å; L234-R236 PolarHBondContact O-N 3.05Å
235K58.3Low56.2Low188 Ų188146 Ų14682%0.81774%0.741SS**  trans-65.189.6168.2-88.3-178.9171.8176.10109.9P233 H237P233-K235 PolarHBondContact O-N 3.11Å; K235-H237 PolarHBondContact O-N 2.97Å
236R57.7Low57.1Low212 Ų212145.9 Ų145.980%0.874%0.739SS**  trans-69.9122.9164.9-57.3-175.3-162.6137.44.1108.2L234 A238L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 HydrophobicContact CD2-CG 4.3Å; L234-R236 HydrophobicContact CG-CG 4.22Å; L234-R236 PolarHBondContact O-N 3.05Å; R236-A238 PolarHBondContact O-N 3Å
237H59.4Low57.4Low166 Ų166142 Ų14277%0.76973%0.732SS**  trans-66126.9171.9-82.1-107.5000109.4K235 S239K235-H237 PolarHBondContact O-N 2.97Å; H237-S239 PolarHBondContact O-N 3.33Å; H237-S239 VanDerWaalsContact O-N 3.16Å
238A60Low58.3Low96 Ų96140.8 Ų140.879%0.79372%0.722SS**THydrogen-bonded Turntrans-85.431.9-176.700000113.2R236R236-A238 PolarHBondContact O-N 3Å
239S65.2Low58.3Low86 Ų86139.6 Ų139.660%0.60172%0.723SS**THydrogen-bonded Turntrans-81.6-19.1-176.944.30000114H237 T241H237-S239 PolarHBondContact O-N 3.33Å; H237-S239 VanDerWaalsContact O-N 3.16Å; S239-T241 PolarHBondContact O-N 2.88Å
240D59.2Low58.6Low139 Ų139135.2 Ų135.274%0.74372%0.719SS**  trans-78.168.1171.9-81.1-14.8000111.2
241T61.4Low58.3Low74 Ų74134.3 Ų134.345%0.45472%0.72SS.*  trans-78.9135.9168-530000108.8S239 F243 S244S239-T241 PolarHBondContact O-N 2.88Å; T241-F243 HydrophobicContact CG2-CD2 3.61Å; T241-F243 HydrophobicContact CG2-CE2 4.31Å; T241-F243 PolarHBondContact O-N 2.93Å; T241-S244 WeakPolarHBondContact O-CB 3.39Å; T241-S244 PolarHBondContact O-N 3.07Å; T241-S244 PolarHBondContact O-OG 2.97Å
242V63.6Low58.4Low108 Ų108127.5 Ų127.566%0.65571%0.707SS**G310 helixtrans-53.7-29.6-174.1-173.50000113S244 R245V242-S244 VanDerWaalsContact C-N 3.29Å; V242-S244 PolarHBondContact O-N 3.48Å; V242-R245 PolarHBondContact O-N 3.02Å
243F63.8Low57.8Low153 Ų153129.5 Ų129.567%0.67171%0.711SS**G310 helixtrans-61.7-29176.9-60.2-65.2000114.4T241 R245 L246T241-F243 HydrophobicContact CG2-CD2 3.61Å; T241-F243 HydrophobicContact CG2-CE2 4.31Å; T241-F243 PolarHBondContact O-N 2.93Å; F243-R245 PolarHBondContact O-N 3.34Å; F243-R245 VanDerWaalsContact O-N 3.11Å; F243-L246 HydrophobicContact CD1-CD1 4.24Å; F243-L246 PolarHBondContact O-N 3.43Å
244S61.7Low57.9Low68 Ų68132.8 Ų132.848%0.47672%0.716SS.*G310 helixtrans-63.2-17.9177.4-49.90000113.3T241 V242T241-S244 WeakPolarHBondContact O-CB 3.39Å; T241-S244 PolarHBondContact O-N 3.07Å; T241-S244 PolarHBondContact O-OG 2.97Å; V242-S244 VanDerWaalsContact C-N 3.29Å; V242-S244 PolarHBondContact O-N 3.48Å
245R61.9Low57.4Low194 Ų194130.7 Ų130.773%0.73271%0.714SS**G310 helixtrans-89.6-5.5177.4-60-176.3178.7-170.5-2113.7V242 F243V242-R245 PolarHBondContact O-N 3.02Å; F243-R245 PolarHBondContact O-N 3.34Å; F243-R245 VanDerWaalsContact O-N 3.11Å
246L65.4Low56.7Low138 Ų138129.2 Ų129.272%0.72372%0.715SS**SBendtrans-103.1-7.9-175.7-63.1175.6000113.3F243F243-L246 HydrophobicContact CD1-CD1 4.24Å; F243-L246 PolarHBondContact O-N 3.43Å
247S59.9Low56.4Low93 Ų93126.6 Ų126.665%0.6572%0.716SS**SBendtrans-104.55.9-173.857.60000114.9
248T61.5Low55.7Low103 Ų103127.8 Ų127.863%0.63272%0.722SS**  trans-93.1115.8177.851.10000111S250T248-S250 PolarHBondContact O-N 3.06Å
249P55.7Low55.7Low113 Ų113129.5 Ų129.573%0.73472%0.718SS**  trans-69.4119.4173.428.8-32.7000109.7T251P249-T251 PolarHBondContact O-N 3.48Å
250S50.2Low55.1Low118 Ų118130.3 Ų130.383%0.82572%0.723SS**  trans-78.980.5-175.8-174.50000111.8T248 T252T248-S250 PolarHBondContact O-N 3.06Å; S250-T252 PolarHBondContact O-N 3.29Å; S250-T252 VanDerWaalsContact O-N 3.08Å
251T47Very low55Low128 Ų128132.6 Ų132.679%0.78572%0.723SS**  trans-77.383.2172.951.60000111.8P249P249-T251 PolarHBondContact O-N 3.48Å
252T51.8Low54.6Low113 Ų113138.1 Ų138.169%0.69374%0.744SS**  trans-141.990.3160.2-400000110.4S250 Q254S250-T252 PolarHBondContact O-N 3.29Å; S250-T252 VanDerWaalsContact O-N 3.08Å; T252-Q254 HydrophobicContact CG2-CG 4.5Å
253I44.7Very low54.3Low172 Ų172135.9 Ų135.988%0.88274%0.742SS**  trans-78.2116.1163.2-63.1166.6000106.4
254Q51.9Low54Low183 Ų183135.5 Ų135.586%0.85575%0.746SS**  trans-135.8156.2159.3-80.6-156.9-10.600111T252T252-Q254 HydrophobicContact CG2-CG 4.5Å
255S46.2Very low53.7Low100 Ų100140.7 Ų140.770%0.69977%0.767SS**  trans-94.5153.9-147.949.30000114.8
256N43.2Very low53.5Low156 Ų156140.7 Ų140.783%0.83477%0.773SS**  trans44.195.9143.1-59.7-18.7000117.3
257D50.2Low53.2Low157 Ų157143.7 Ų143.784%0.8478%0.78SS**  trans-138.9109.9141.9-133-15.8000110.2L259D257-L259 PolarHBondContact O-N 2.92Å
258Q46Very low52.8Low191 Ų191144.5 Ų144.589%0.89379%0.785SS**  trans-92.880.6-164.4-173.1-17910.800111S260Q258-S260 PolarHBondContact O-N 3.26Å
259L59.7Low52.6Low132 Ų132150.6 Ų150.669%0.69180%0.797SS**  trans-80.4109.2176.1-67.3174.9000111.6D257 Y261D257-L259 PolarHBondContact O-N 2.92Å; L259-Y261 HydrophobicContact CB-CE2 4.47Å; L259-Y261 WeakPolarHBondContact O-CD2 3.11Å; L259-Y261 PolarHBondContact O-N 2.89Å
260S53.1Low52.3Low103 Ų103151.3 Ų151.372%0.7280%0.799SS**  trans-76.2103.7-179.349.70000112.4Q258 Q262Q258-S260 PolarHBondContact O-N 3.26Å; S260-Q262 PolarHBondContact O-N 3.29Å
261Y55.3Low52.6Low188 Ų188153 Ų15374%0.73779%0.794SS**  trans-7855.9175.9-80-80.8000113.4L259 I264L259-Y261 HydrophobicContact CB-CE2 4.47Å; L259-Y261 WeakPolarHBondContact O-CD2 3.11Å; L259-Y261 PolarHBondContact O-N 2.89Å; Y261-I264 HydrophobicContact CD1-CD1 3.91Å; Y261-I264 HydrophobicContact CE1-CD1 4.25Å
262Q54.4Low53.2Low190 Ų190152 Ų15289%0.88879%0.789SS**  trans-103.282-178.4-159150.7900110.9S260S260-Q262 PolarHBondContact O-N 3.29Å
263G57.6Low53.4Low61 Ų61151.6 Ų151.663%0.62979%0.789SS**SBendtrans170-17.8171.800000119.9L265G263-L265 PolarHBondContact O-N 3.04Å
264I56.9Low53.7Low145 Ų145152.3 Ų152.374%0.74479%0.786SS**  trans-86.70.1-162.2-35.4-176.2000114.1Y261 K266Y261-I264 HydrophobicContact CD1-CD1 3.91Å; Y261-I264 HydrophobicContact CE1-CD1 4.25Å; I264-K266 PolarHBondContact O-N 3.48Å
265L54.7Low53.8Low177 Ų177152.4 Ų152.493%0.92778%0.784SS**  trans-98.379.8176.4-85.8136.6000112.2G263G263-L265 PolarHBondContact O-N 3.04Å
266K59Low54.2Low194 Ų194154.7 Ų154.784%0.84379%0.788SS**  trans-12793.2165.2-77.2-167.1176.2178.70113.4I264I264-K266 PolarHBondContact O-N 3.48Å
267K57.8Low54.2Low201 Ų201154.9 Ų154.987%0.87479%0.789SS**  trans54.2103.9148-54-165.7179-170.70118.4R269K267-R269 PolarHBondContact O-N 3.15Å; K267-R269 VanDerWaalsContact O-N 3.08Å
268S51.7Low54Low109 Ų109156.1 Ų156.176%0.76279%0.79SS**  trans-67.597.4157.252.10000110.8T270S268-T270 PolarHBondContact O-N 3.24Å
269R58.3Low54Low231 Ų231151.6 Ų151.687%0.87278%0.78SS**  trans-77.882.9173.5-174.7176.5179.8163.3-0.2110.4K267 Q271K267-R269 PolarHBondContact O-N 3.15Å; K267-R269 VanDerWaalsContact O-N 3.08Å; R269-Q271 PolarHBondContact O-N 3.12Å
270T47.9Very low53.4Low129 Ų129153.9 Ų153.979%0.79179%0.789SS**  trans-86.896.2170.950.80000110.4S268S268-T270 PolarHBondContact O-N 3.24Å
271Q58Low53.1Low153 Ų153153.7 Ų153.772%0.71579%0.788SS**  trans-130.8131.1156.7-121.1-165.5-3.900108.5R269R269-Q271 PolarHBondContact O-N 3.12Å
272P59Low52.6Low106 Ų106150.4 Ų150.469%0.68879%0.789SS**PPolyproline II helixtrans-70.6145.917131-33.6000109.6K274P272-K274 PolarHBondContact O-N 3Å
273P55.8Low52.1Low106 Ų106147.6 Ų147.669%0.68879%0.789SS**PPolyproline II helixtrans-65122.2170.828-32.4000109F275P273-F275 HydrophobicContact CG-CE2 4.35Å; P273-F275 PolarHBondContact O-N 3.12Å
274K50.1Low51.4Low186 Ų186149.8 Ų149.881%0.80980%0.795SS**PPolyproline II helixtrans-73.5116.7161.8-68.7-175.5176-172.70106.9P272P272-K274 PolarHBondContact O-N 3Å
275F55.6Low51Low185 Ų185149.9 Ų149.981%0.81180%0.796SS**PPolyproline II helixtrans-76.5125.8161.2-77.8-89.1000107.3P273P273-F275 HydrophobicContact CG-CE2 4.35Å; P273-F275 PolarHBondContact O-N 3.12Å
276N54.9Low50.3Low148 Ų148148.2 Ų148.279%0.79179%0.788SS**PPolyproline II helixtrans-87.6123.6167.9-69.2-13.4000107.1E278N276-E278 PolarHBondContact O-N 3.06Å
277D42.5Very low49.5Very low161 Ų161143.3 Ų143.386%0.86178%0.778SS**  trans-71.9103.9165.2-66.6-60.5000108.9
278E45.6Very low49Very low182 Ų182142.9 Ų142.985%0.8578%0.777SS**  trans-167.4145.8149.1-116.2-174.6147.600114N276N276-E278 PolarHBondContact O-N 3.06Å
279S46.9Very low48.5Very low97 Ų97146 Ų14668%0.67878%0.784SS**  trans77.2115.6159.178.20000120.5
280M47.5Very low48.3Very low179 Ų179140.1 Ų140.188%0.88278%0.778SS**  trans65.1142147.1-51-56.7124.500118.4
281S45.6Very low48.5Very low100 Ų100139.4 Ų139.470%0.69978%0.776SS**  cis-156.4148.96.7178.40000109.5
282P45.2Very low47.5Very low119 Ų119143.3 Ų143.377%0.77379%0.786SS**  trans-94.3122.6178.834.6-29.6000112.9
283C43.4Very low47.3Very low130 Ų130144.4 Ų144.488%0.87879%0.79SS**  trans-140.9114.8165.5-99.20000113
284S42.9Very low46.9Very low108 Ų108148.4 Ų148.476%0.75580%0.8SS**  trans-40.2146.8171.3-46.50000117.1
285L48.4Very low46.6Very low146 Ų146143 Ų14376%0.76480%0.797SS**  168.7135.1103.4-85.8167.1000112.5
286N40.9Very low46.2Very low142 Ų142141 Ų14176%0.75980%0.8SS**  trans28.5129.7138.5-52.4-6.8000118
287S41.7Very low46Very low91 Ų91142.2 Ų142.264%0.63681%0.805SS**  cis-178.6173.618.947.50000107.3
288F46.8Very low46.4Very low193 Ų193137.5 Ų137.585%0.84679%0.794SS**  cis-129.3165.67.2-84.2-96000110.7
289L41.3Very low46.5Very low173 Ų173138.3 Ų138.391%0.90680%0.798SS**  trans-100.3135.5154.9-110.765.6000108.6
290S55.1Low46.7Very low109 Ų109138.4 Ų138.476%0.76280%0.799SS**  trans-124.6138.315955.20000109.1
291P50.9Low47.1Very low114 Ų114141.4 Ų141.474%0.7480%0.8SS**  trans-80.3152.6-167.831.8-35.6000112.6T293P291-T293 PolarHBondContact O-N 3.23Å
292Y38.4Very low47.5Very low235 Ų235144.5 Ų144.592%0.92281%0.806SS**  trans-46.8118.1164.1-122.7-110.2000111
293T54.6Low48.2Very low128 Ų128147.1 Ų147.179%0.78581%0.808SS**  trans-135.3135.5161.753.20000109.5P291P291-T293 PolarHBondContact O-N 3.23Å
294E47.6Very low49Very low191 Ų191151 Ų15189%0.89381%0.81SS**  trans-77.8134.2-175.1-62.6-178.912700111.5
295G43.5Very low49.9Very low73 Ų73151.2 Ų151.275%0.75381%0.806SS**  trans7367.1144.700000119.8
296V46.6Very low50.7Low141 Ų141147.6 Ų147.686%0.85579%0.793SS**  trans-139.2110140.9178.70000109.5G298V296-G298 PolarHBondContact O-N 2.88Å
297L51.3Low51.6Low175 Ų175146.1 Ų146.192%0.91679%0.789SS**  trans-82.9104.3173.6-159.480000109.5
298G50.5Low52.4Low61 Ų61150 Ų15063%0.62979%0.794SS**  trans-57.5136.2-18000000112.9V296 S300V296-G298 PolarHBondContact O-N 2.88Å; G298-S300 PolarHBondContact O-N 3.39Å
299Q46.8Very low53Low200 Ų200146.9 Ų146.994%0.93579%0.786SS**  trans-69.886.7-179.6-69.2-169.5-4.100111.9R301Q299-R301 PolarHBondContact O-N 3.47Å
300S52.1Low53.9Low98 Ų98149.1 Ų149.169%0.68578%0.783SS**  trans-70.9120.5166.3-1740000110.2G298 M302G298-S300 PolarHBondContact O-N 3.39Å; S300-M302 VanDerWaalsContact C-N 3.26Å; S300-M302 PolarHBondContact O-N 2.85Å
301R54.8Low54.1Low243 Ų243150.9 Ų150.992%0.91778%0.783SS**  trans-70.870.2-173.2-169.8-172.7-174.5-163.14.7112.1Q299 Q303Q299-R301 PolarHBondContact O-N 3.47Å; R301-Q303 PolarHBondContact O-N 3.17Å
302M54.5Low54.4Low164 Ų164148.3 Ų148.381%0.80878%0.777SS**  trans-66.2113.6176.6-74.6-65.3-157.300111.2S300 K304S300-M302 VanDerWaalsContact C-N 3.26Å; S300-M302 PolarHBondContact O-N 2.85Å; M302-K304 PolarHBondContact O-N 3.13Å
303Q61Low55.3Low174 Ų174144.4 Ų144.481%0.81377%0.772SS**  trans-61.5133.5172.4-69.7177.1-18.200110.2R301 V305R301-Q303 PolarHBondContact O-N 3.17Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 3.38Å
304K59.8Low55.3Low213 Ų213150.2 Ų150.293%0.92678%0.78SS**  trans-7184.5178.8-68.7-178.9179.5177.50110.8M302 S306M302-K304 PolarHBondContact O-N 3.13Å; K304-S306 PolarHBondContact O-N 3.41Å
305V61Low55.7Low111 Ų111149.3 Ų149.367%0.67378%0.776SS**  trans-70.1111172.5-168.60000108.9Q303 V307Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 3.38Å; V305-V307 PolarHBondContact O-N 3.08Å
306S64.6Low55.9Low70 Ų70149.5 Ų149.549%0.4978%0.778SS.*  trans-57.5133.5179.1-179.60000111.3K304 K308 N309K304-S306 PolarHBondContact O-N 3.41Å; S306-K308 PolarHBondContact O-N 3.48Å; S306-K308 PolarHBondContact OG-N 3Å; S306-N309 PolarHBondContact O-N 3.42Å
307V60.1Low56.3Low111 Ų111152.7 Ų152.767%0.67378%0.78SS**G310 helixtrans-54.3-27.1178-173.10000111.6V305 N309 R310V305-V307 PolarHBondContact O-N 3.08Å; V307-N309 PolarHBondContact O-N 3.08Å; V307-N309 VanDerWaalsContact O-N 3.15Å; V307-R310 PolarHBondContact O-N 3.15Å; V307-R310 VanDerWaalsContact O-N 3.08Å
308K58.9Low56.5Low174 Ų174149.6 Ų149.676%0.75777%0.773SS**G310 helixtrans-61.9-18.9177.9-153.7160.2-175.5174.80113.8S306S306-K308 PolarHBondContact O-N 3.48Å; S306-K308 PolarHBondContact OG-N 3Å
309N59.2Low56.4Low127 Ų127154.5 Ų154.568%0.67979%0.785SS**G310 helixtrans-92.6-7.4177.2-66.215.8000113.7S306 V307S306-N309 PolarHBondContact O-N 3.42Å; V307-N309 PolarHBondContact O-N 3.08Å; V307-N309 VanDerWaalsContact O-N 3.15Å
310R60Low56.8Low220 Ų220149 Ų14983%0.8377%0.773SS**THydrogen-bonded Turntrans-83.3-17.5175.7-68.3-177.577.5-171.36.4113.4V307 G312V307-R310 PolarHBondContact O-N 3.15Å; V307-R310 VanDerWaalsContact O-N 3.08Å; R310-G312 PolarHBondContact O-N 3.41Å
311L60.5Low56.8Low145 Ų145149.6 Ų149.676%0.75978%0.775SS**SBendtrans-91.986.5172.9-79.5154.1000108.6N313L311-N313 PolarHBondContact O-N 2.96Å
312G56.4Low56.9Low61 Ų61144.8 Ų144.863%0.62977%0.772SS**  trans-52.9136.5-176.100000113R310 R314R310-G312 PolarHBondContact O-N 3.41Å; G312-R314 PolarHBondContact O-N 3.26Å
313N57.3Low57Low153 Ų153144.8 Ų144.882%0.81877%0.77SS**  trans-56.899.6-178.6-70.9-13.9000111.2L311 Q315L311-N313 PolarHBondContact O-N 2.96Å; N313-Q315 PolarHBondContact O-N 3.17Å
314R54.7Low56.3Low249 Ų249141.2 Ų141.294%0.9476%0.764SS**  trans-72.273.4164.2-76.7-171.9165.6-136.3-2.8109.3G312 G316G312-R314 PolarHBondContact O-N 3.26Å; R314-G316 PolarHBondContact O-N 2.87Å; R314-G316 VanDerWaalsContact O-N 3.13Å
315Q56.9Low56Low173 Ų173142.8 Ų142.881%0.80876%0.764SS**  trans-56.8117.5163.7-81.2-171.3-21.400108.1N313 K317N313-Q315 PolarHBondContact O-N 3.17Å; Q315-K317 PolarHBondContact O-N 3.48Å; Q315-K317 VanDerWaalsContact O-N 3.17Å
316G46Very low55.5Low77 Ų77145.1 Ų145.179%0.79477%0.772SS**  trans-64.2115175.800000109.2R314 S318R314-G316 PolarHBondContact O-N 2.87Å; R314-G316 VanDerWaalsContact O-N 3.13Å; G316-S318 PolarHBondContact O-N 2.81Å
317K55.8Low54.9Low208 Ų208145.2 Ų145.290%0.90478%0.784SS**PPolyproline II helixtrans-68126.3169.3-68.3-172.1176.7-174.60108Q315Q315-K317 PolarHBondContact O-N 3.48Å; Q315-K317 VanDerWaalsContact O-N 3.17Å
318S56.7Low54.5Low110 Ų110151.3 Ų151.377%0.76980%0.795SS**PPolyproline II helixtrans-59.2150.2-170.137.60000113.4G316 A320G316-S318 PolarHBondContact O-N 2.81Å; S318-A320 PolarHBondContact O-N 3.19Å
319N47.2Very low54Low164 Ų164147.5 Ų147.588%0.87780%0.796SS**PPolyproline II helixtrans-60.8119.9167.5-56.4-68.1000109.3
320A55.7Low54.2Low84 Ų84146.7 Ų146.769%0.69480%0.8SS**PPolyproline II helixtrans-90.9124166.400000109S318 V322S318-A320 PolarHBondContact O-N 3.19Å; A320-V322 PolarHBondContact O-N 3.24Å
321P50.8Low53.6Low110 Ų110144.1 Ų144.171%0.71480%0.803SS**  trans-78.210917630.6-31.4000109.6H323P321-H323 PolarHBondContact O-N 3.32Å; P321-H323 VanDerWaalsContact O-N 3.11Å
322V58.6Low53.9Low143 Ų143142.4 Ų142.487%0.86780%0.801SS**  trans-73.3104.2168.3-179.30000107.7A320 S324A320-V322 PolarHBondContact O-N 3.24Å; V322-S324 PolarHBondContact O-N 3.36Å
323H55.9Low53.7Low163 Ų163151.4 Ų151.476%0.75583%0.833SS**  trans-57.1119.7175.7-95.4-101.9000110.9P321 R325P321-H323 PolarHBondContact O-N 3.32Å; P321-H323 VanDerWaalsContact O-N 3.11Å; H323-R325 PolarHBondContact O-N 2.87Å
324S45.6Very low53.6Low99 Ų99151.4 Ų151.469%0.69283%0.834SS**  trans-64.5100.7161.241.50000109.3V322 L326V322-S324 PolarHBondContact O-N 3.36Å; S324-L326 PolarHBondContact O-N 3.24Å
325R54.3Low53.5Low247 Ų247146.2 Ų146.293%0.93283%0.828SS**  trans-69.796.5167.9-89-172.7168.9-173.1-3.1109.4H323H323-R325 PolarHBondContact O-N 2.87Å
326L50Low53.3Low160 Ų160144.7 Ų144.784%0.83883%0.829SS**  trans-66.5128.2155.1-81.290.9000109.3S324S324-L326 PolarHBondContact O-N 3.24Å
327G52.7Low53.7Low72 Ų72148.7 Ų148.774%0.74283%0.831SS**  trans-15189.7156.500000105.2
328R51.9Low53.6Low239 Ų239145 Ų14590%0.90283%0.827SS**  62.579.271.2-159.4-179.1-170-158.11.3112.5
329A48.6Very low53.4Low94 Ų94147.3 Ų147.378%0.77783%0.831SS**  trans42.9116.8134.500000120
330S62.7Low53.9Low109 Ų109146.1 Ų146.176%0.76283%0.827SS**  -164.2107.5129.955.50000111.2
331N47.4Very low53.7Low167 Ų167150.9 Ų150.989%0.89384%0.838SS**  trans-88.5145.6145.4-82.54.4000106.8
332P65.8Low54Low109 Ų109154.3 Ų154.371%0.70885%0.848SS**  -141148.1119.736.1-23.6000114.1
333L54.1Low53.5Low250 Ų250155.4 Ų155.4100%1.30985%0.846SS**  trans56.10170.5-80.480.9000117.4

Retrieved 333 of 333 residues in 144.6 ms (Link to these results)