A0A5K4EF75_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EF75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 488 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
1M38Very low43Very low241 Ų241139.5 Ų139.5100%1.18776%0.757SS**  0111.50-72.9-165.1140.100108
2C40.2Very low43.8Very low132 Ų132140.3 Ų140.389%0.89276%0.755SS**  trans178.872.9163-93.70000107.1
3S35.1Very low44.2Very low124 Ų124140.5 Ų140.587%0.86775%0.749SS**  trans-138.266.6177.8-58.90000109.5
4S43.2Very low44.6Very low99 Ų99136.8 Ų136.869%0.69273%0.728SS**  trans-173.599.4170.946.30000107.7
5N43.6Very low45.2Very low129 Ų129134.1 Ų134.169%0.6971%0.714SS**  trans-16820.6158.2-99-2.5000113.7
6V46.7Very low45.6Very low133 Ų133135.9 Ų135.981%0.80671%0.714SS**SBendtrans-96.8-12.2178.1-170.40000112T9V6-T9 PolarHBondContact O-OG1 2.75Å
7S45.4Very low45.9Very low81 Ų81131.4 Ų131.457%0.56670%0.696SS**SBendtrans-87.9-19.3-177.6540000115W11S7-W11 VanDerWaalsContact O-CD1 3.26Å
8E43.8Very low46.1Very low136 Ų136129.7 Ų129.764%0.63669%0.687SS**Hα-helixtrans-77.9-29.4-176.4-77.3-171.4157.900113.7Y10 W11 M12E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 2.65Å; E8-W11 PolarHBondContact O-N 3.29Å; E8-M12 PolarHBondContact O-N 2.95Å
9T49.4Very low46.5Very low98 Ų98127.9 Ų127.960%0.60168%0.676SS**Hα-helixtrans-67.4-30.7179.831.90000112.8V6 M12 Q13V6-T9 PolarHBondContact O-OG1 2.75Å; T9-M12 PolarHBondContact O-N 2.92Å; T9-Q13 PolarHBondContact O-N 3.25Å
10Y42.2Very low46.7Very low173 Ų173124.2 Ų124.268%0.67867%0.665SS**Hα-helixtrans-70.7-34.7-178.8-151.7-96.6000112.4E8 Q13 L14E8-Y10 VanDerWaalsContact C-N 3.3Å; E8-Y10 PolarHBondContact O-N 2.65Å; Y10-Q13 PolarHBondContact O-N 3.06Å; Y10-L14 PolarHBondContact O-N 2.95Å
11W45Very low46.8Very low188 Ų188127.5 Ų127.571%0.71267%0.668SS**Hα-helixtrans-71.3-38.8176.5-67.3112.1000112.3S7 E8 Q13 L14 D15S7-W11 VanDerWaalsContact O-CD1 3.26Å; E8-W11 PolarHBondContact O-N 3.29Å; W11-Q13 VanDerWaalsContact C-N 3.25Å; W11-Q13 PolarHBondContact O-N 2.9Å; W11-L14 HydrophobicContact CE3-CD1 4.09Å; W11-L14 HydrophobicContact CZ3-CD1 4.15Å; W11-L14 PolarHBondContact O-N 3.07Å; W11-D15 PolarHBondContact O-N 3.43Å
12M52.5Low47.3Very low149 Ų149122.6 Ų122.673%0.73464%0.642SS**Hα-helixtrans-65-28.6176.4-74.9-149142.900113.4E8 T9 D15 K16E8-M12 PolarHBondContact O-N 2.95Å; T9-M12 PolarHBondContact O-N 2.92Å; M12-D15 PolarHBondContact O-N 2.89Å; M12-K16 PolarHBondContact O-N 3Å
13Q49.9Very low47.9Very low144 Ų144122.7 Ų122.767%0.67363%0.63SS**Hα-helixtrans-75.8-31.3-179.9-163.2152.9-100112.7T9 Y10 W11 D15T9-Q13 PolarHBondContact O-N 3.25Å; Y10-Q13 PolarHBondContact O-N 3.06Å; W11-Q13 VanDerWaalsContact C-N 3.25Å; W11-Q13 PolarHBondContact O-N 2.9Å; Q13-D15 VanDerWaalsContact C-N 3.32Å
14L49.6Very low48.6Very low88 Ų88121.4 Ų121.446%0.46162%0.616SS.*Hα-helixtrans-66.4-37171.3-75.3170.2000111.5Y10 W11 K16 S17 L18Y10-L14 PolarHBondContact O-N 2.95Å; W11-L14 HydrophobicContact CE3-CD1 4.09Å; W11-L14 HydrophobicContact CZ3-CD1 4.15Å; W11-L14 PolarHBondContact O-N 3.07Å; L14-K16 PolarHBondContact O-N 2.68Å; L14-S17 WeakPolarHBondContact O-CB 3.45Å; L14-S17 PolarHBondContact O-N 3.07Å; L14-S17 VanDerWaalsContact O-N 3.1Å; L14-S17 PolarHBondContact O-OG 2.99Å; L14-L18 PolarHBondContact O-N 3Å
15D54.2Low48.9Very low97 Ų97124.3 Ų124.352%0.51962%0.616SS.*Hα-helixtrans-66.8-38.3-176.5-139.24.1000112.3W11 M12 Q13 S17 L18 I19W11-D15 PolarHBondContact O-N 3.43Å; M12-D15 PolarHBondContact O-N 2.89Å; Q13-D15 VanDerWaalsContact C-N 3.32Å; D15-S17 VanDerWaalsContact C-N 3.25Å; D15-S17 PolarHBondContact O-N 3.14Å; D15-L18 WeakPolarHBondContact O-CB 3.25Å; D15-L18 PolarHBondContact O-N 2.84Å; D15-I19 WeakPolarHBondContact O-CG1 3.41Å; D15-I19 PolarHBondContact O-N 2.74Å
16K50.1Low49.2Very low162 Ų162121.5 Ų121.570%0.70461%0.607SS**Hα-helixtrans-60-35.3172.8-72-174.8177.9-178.80112.9M12 L14 L18 A20M12-K16 PolarHBondContact O-N 3Å; L14-K16 PolarHBondContact O-N 2.68Å; K16-L18 VanDerWaalsContact C-N 3.32Å; K16-A20 PolarHBondContact O-N 3.04Å; K16-A20 VanDerWaalsContact O-N 3.11Å
17S51.7Low49.2Very low59 Ų59118 Ų11841%0.41359%0.592SS.*Hα-helixtrans-71.8-28.8176.879.80000112.6L14 D15 R21L14-S17 WeakPolarHBondContact O-CB 3.45Å; L14-S17 PolarHBondContact O-N 3.07Å; L14-S17 VanDerWaalsContact O-N 3.1Å; L14-S17 PolarHBondContact O-OG 2.99Å; D15-S17 VanDerWaalsContact C-N 3.25Å; D15-S17 PolarHBondContact O-N 3.14Å; S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.42Å
18L49.3Very low49.4Very low102 Ų102118.8 Ų118.853%0.53459%0.593SS.*Hα-helixtrans-72.2-43175-157.187.3000111L14 D15 K16 A20 R21 Q22L14-L18 PolarHBondContact O-N 3Å; D15-L18 WeakPolarHBondContact O-CB 3.25Å; D15-L18 PolarHBondContact O-N 2.84Å; K16-L18 VanDerWaalsContact C-N 3.32Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 2.91Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-R21 VanDerWaalsContact O-N 3.11Å; L18-Q22 PolarHBondContact O-N 3.23Å; L18-Q22 VanDerWaalsContact O-N 3.11Å
19I53.2Low49.7Very low95 Ų95117 Ų11749%0.48759%0.591SS.*Hα-helixtrans-60.6-44.8176.1-62.7166.6000110.5D15 R21 Q22 E23D15-I19 WeakPolarHBondContact O-CG1 3.41Å; D15-I19 PolarHBondContact O-N 2.74Å; I19-R21 PolarHBondContact O-N 2.76Å; I19-Q22 PolarHBondContact O-N 2.82Å; I19-E23 PolarHBondContact O-N 3.08Å; I19-E23 VanDerWaalsContact O-N 3.14Å
20A50Low49.6Very low54 Ų54117.7 Ų117.745%0.44659%0.592SS.*Hα-helixtrans-59.9-32176.600000112.8K16 L18 V24K16-A20 PolarHBondContact O-N 3.04Å; K16-A20 VanDerWaalsContact O-N 3.11Å; L18-A20 VanDerWaalsContact C-N 3.35Å; L18-A20 PolarHBondContact O-N 2.91Å; A20-V24 WeakPolarHBondContact O-CG2 3.38Å
21R48.8Very low49.8Very low193 Ų193116.2 Ų116.273%0.72859%0.593SS**Hα-helixtrans-76.6-25175.4-74179.3172.3-172.7-0.4113.2S17 L18 I19 K25S17-R21 WeakPolarHBondContact O-CG 3.49Å; S17-R21 PolarHBondContact O-N 3.42Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-R21 VanDerWaalsContact O-N 3.11Å; I19-R21 PolarHBondContact O-N 2.76Å; R21-K25 PolarHBondContact O-N 2.86Å
22Q50.4Low49.9Very low139 Ų139114.6 Ų114.665%0.6559%0.591SS**Hα-helixtrans-78.8-35.7179-163.5139.213.200111.9L18 I19 V24 K25 S26L18-Q22 PolarHBondContact O-N 3.23Å; L18-Q22 VanDerWaalsContact O-N 3.11Å; I19-Q22 PolarHBondContact O-N 2.82Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 3Å; Q22-K25 PolarHBondContact O-N 3.04Å; Q22-S26 PolarHBondContact O-N 3.31Å; Q22-S26 VanDerWaalsContact O-N 3.15Å
23E50.9Low49.8Very low134 Ų134110.2 Ų110.263%0.62658%0.578SS**Hα-helixtrans-64.6-34.8173.2-70.1-173.7167.400112.6I19 K25 S26 A27I19-E23 PolarHBondContact O-N 3.08Å; I19-E23 VanDerWaalsContact O-N 3.14Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.06Å; E23-S26 PolarHBondContact O-N 2.86Å; E23-S26 PolarHBondContact O-OG 3.1Å; E23-A27 PolarHBondContact O-N 3.15Å
24V50.8Low49.5Very low97 Ų97109.7 Ų109.759%0.58858%0.575SS**Hα-helixtrans-68.8-33.1175.2179.10000111.4A20 Q22 V28A20-V24 WeakPolarHBondContact O-CG2 3.38Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 3Å; V24-V28 WeakPolarHBondContact O-CG2 3.45Å; V24-V28 PolarHBondContact O-N 3.16Å
25K50.1Low49.2Very low159 Ų159113.3 Ų113.369%0.69159%0.587SS**Hα-helixtrans-70.6-37.4176.8-82.4-177.4176.4179.50112.7R21 Q22 E23 V28 T29R21-K25 PolarHBondContact O-N 2.86Å; Q22-K25 PolarHBondContact O-N 3.04Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.06Å; K25-V28 PolarHBondContact O-N 2.9Å; K25-T29 PolarHBondContact O-N 3.13Å; K25-T29 PolarHBondContact O-OG1 2.99Å
26S49.3Very low48.9Very low71 Ų71113.8 Ų113.850%0.49759%0.59SS.*Hα-helixtrans-68.1-39.7178.465.30000111.9Q22 E23 V28 T29 D30Q22-S26 PolarHBondContact O-N 3.31Å; Q22-S26 VanDerWaalsContact O-N 3.15Å; E23-S26 PolarHBondContact O-N 2.86Å; E23-S26 PolarHBondContact O-OG 3.1Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 2.96Å; S26-T29 WeakPolarHBondContact CA-OG1 3.28Å; S26-T29 PolarHBondContact O-N 3.17Å; S26-T29 PolarHBondContact O-OG1 3.12Å; S26-D30 PolarHBondContact O-N 3.23Å; S26-D30 VanDerWaalsContact O-N 3.1Å
27A47.1Very low48.9Very low58 Ų58110.9 Ų110.948%0.47959%0.586SS.*Hα-helixtrans-61.8-36.5176.500000112.6E23 M31E23-A27 PolarHBondContact O-N 3.15Å; A27-M31 PolarHBondContact O-N 2.73Å
28V48.3Very low48.6Very low99 Ų99116.1 Ų116.160%0.660%0.601SS**Hα-helixtrans-72.5-34.1178.1175.30000112V24 K25 S26 K32V24-V28 WeakPolarHBondContact O-CG2 3.45Å; V24-V28 PolarHBondContact O-N 3.16Å; K25-V28 PolarHBondContact O-N 2.9Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 2.96Å; V28-K32 PolarHBondContact O-N 2.82Å
29T50.4Low48.3Very low97 Ų97115.9 Ų115.960%0.59561%0.608SS**Hα-helixtrans-70.4-34.5175.242.50000112.9K25 S26 K32 A33K25-T29 PolarHBondContact O-N 3.13Å; K25-T29 PolarHBondContact O-OG1 2.99Å; S26-T29 WeakPolarHBondContact CA-OG1 3.28Å; S26-T29 PolarHBondContact O-N 3.17Å; S26-T29 PolarHBondContact O-OG1 3.12Å; T29-K32 PolarHBondContact O-N 2.98Å; T29-A33 PolarHBondContact O-N 3.1Å; T29-A33 VanDerWaalsContact O-N 3.14Å
30D48.2Very low47.9Very low114 Ų114118.4 Ų118.461%0.6162%0.622SS**Hα-helixtrans-71.6-36.3-178.2-140.78.7000112S26 K32 A33 Q34S26-D30 PolarHBondContact O-N 3.23Å; S26-D30 VanDerWaalsContact O-N 3.1Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 2.84Å; D30-A33 PolarHBondContact O-N 2.8Å; D30-Q34 PolarHBondContact O-N 3.31Å; D30-Q34 VanDerWaalsContact O-N 3.12Å
31M46Very low47.6Very low142 Ų142122.6 Ų122.670%0.764%0.637SS**Hα-helixtrans-66-29.1172.7-74.7-163.171.100113.5A27 K35A27-M31 PolarHBondContact O-N 2.73Å; M31-K35 PolarHBondContact O-N 3.11Å
32K47.5Very low47.1Very low154 Ų154123.4 Ų123.467%0.6764%0.641SS**Hα-helixtrans-76.8-37.9177.9-163.2167.4-175.8177.20111.7V28 T29 D30 K35V28-K32 PolarHBondContact O-N 2.82Å; T29-K32 PolarHBondContact O-N 2.98Å; D30-K32 VanDerWaalsContact C-N 3.28Å; D30-K32 PolarHBondContact O-N 2.84Å; K32-K35 PolarHBondContact O-N 2.9Å
33A49.4Very low46.4Very low57 Ų57127.8 Ų127.847%0.47165%0.652SS.*Hα-helixtrans-65.5-38.4174.800000112.2T29 D30 K35 D36 V37T29-A33 PolarHBondContact O-N 3.1Å; T29-A33 VanDerWaalsContact O-N 3.14Å; D30-A33 PolarHBondContact O-N 2.8Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 2.87Å; A33-D36 PolarHBondContact O-N 2.92Å; A33-V37 PolarHBondContact O-N 3.49Å
34Q43.8Very low45.9Very low132 Ų132126.1 Ų126.162%0.61765%0.653SS**Hα-helixtrans-65.1-31.9175.4-89.7-167.8-6.400113.4D30 D36 V37 F38D30-Q34 PolarHBondContact O-N 3.31Å; D30-Q34 VanDerWaalsContact O-N 3.12Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; Q34-D36 PolarHBondContact O-N 3.11Å; Q34-V37 PolarHBondContact O-N 3.4Å; Q34-F38 WeakPolarHBondContact O-CD2 3.39Å
35K44.7Very low45.2Very low164 Ų164127.4 Ų127.471%0.71366%0.661SS**Hα-helixtrans-67.9-31.6177.7-104.9179.2175.2176.40113.4M31 K32 A33 S39M31-K35 PolarHBondContact O-N 3.11Å; K32-K35 PolarHBondContact O-N 2.9Å; A33-K35 VanDerWaalsContact C-N 3.31Å; A33-K35 PolarHBondContact O-N 2.87Å; K35-S39 PolarHBondContact O-OG 2.95Å
36D47.9Very low44.8Very low107 Ų107125 Ų12557%0.57266%0.664SS**Hα-helixtrans-78.3-24.5179.7-79-16000113.1A33 Q34 F38 S39A33-D36 PolarHBondContact O-N 2.92Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; Q34-D36 PolarHBondContact O-N 3.11Å; D36-F38 PolarHBondContact O-N 3.04Å; D36-S39 PolarHBondContact O-N 3.47Å
37V48.3Very low44.2Very low101 Ų101129.3 Ų129.361%0.61267%0.674SS**Hα-helixtrans-68.8-34.8175.5179.10000111.9A33 Q34 S39A33-V37 PolarHBondContact O-N 3.49Å; Q34-V37 PolarHBondContact O-N 3.4Å; V37-S39 PolarHBondContact O-N 3.35Å
38F46.4Very low43.6Very low170 Ų170132.8 Ų132.875%0.74669%0.689SS**THydrogen-bonded Turntrans-73.6-13.2179.2-73.7-71.9000114Q34 D36Q34-F38 WeakPolarHBondContact O-CD2 3.39Å; D36-F38 PolarHBondContact O-N 3.04Å
39S43Very low43Very low97 Ų97136.4 Ų136.468%0.67870%0.697SS**THydrogen-bonded Turntrans-90-10.1-176.9-610000114.3K35 D36 V37K35-S39 PolarHBondContact O-OG 2.95Å; D36-S39 PolarHBondContact O-N 3.47Å; V37-S39 PolarHBondContact O-N 3.35Å
40L45.1Very low42.3Very low147 Ų147141 Ų14177%0.7771%0.709SS**SBendtrans-103.8-5.2-168.8-91.4162.3000117.3
41N42.5Very low41.8Very low142 Ų142141.6 Ų141.676%0.75972%0.717SS**  trans-123.69.3-171.3-75.7-42.7000117.3R43N41-R43 PolarHBondContact O-N 3.03Å
42Y39.4Very low41.3Very low211 Ų211141.9 Ų141.983%0.82772%0.721SS**  trans-82.185173.7-160.9-97.9000111.2P44Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CG 4.3Å; Y42-P44 WeakPolarHBondContact O-CD 3.49Å
43R35.8Very low40.5Very low230 Ų230139.5 Ų139.587%0.86872%0.724SS**  trans-89.9112.5166.9-128.2-177.2-170.5-1793.5108.4N41 T45N41-R43 PolarHBondContact O-N 3.03Å; R43-T45 PolarHBondContact O-N 3.18Å; R43-T45 VanDerWaalsContact O-N 3.13Å
44P40.8Very low40Very low99 Ų99141.3 Ų141.364%0.64373%0.731SS**  trans-63.6117178.6-16.429000109.3Y42 S46Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CG 4.3Å; Y42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-S46 PolarHBondContact O-N 3.5Å; P44-S46 VanDerWaalsContact O-N 3.16Å
45T36.2Very low39.6Very low124 Ų124146.8 Ų146.876%0.76175%0.746SS**  trans-74.2106.2171.820000107.7R43 K47R43-T45 PolarHBondContact O-N 3.18Å; R43-T45 VanDerWaalsContact O-N 3.13Å; T45-K47 VanDerWaalsContact C-N 3.26Å; T45-K47 PolarHBondContact O-N 3.39Å
46S40.3Very low39Very low108 Ų108149 Ų14976%0.75575%0.751SS**  trans-66.286.6168.655.40000109P44 T48P44-S46 PolarHBondContact O-N 3.5Å; P44-S46 VanDerWaalsContact O-N 3.16Å; S46-T48 PolarHBondContact O-N 3.36Å; S46-T48 VanDerWaalsContact O-N 3.13Å
47K37.3Very low38.4Very low163 Ų163149 Ų14971%0.70976%0.76SS**  trans-73.8101.1169.5-77.8-175.8178177.20108.1T45 F49T45-K47 VanDerWaalsContact C-N 3.26Å; T45-K47 PolarHBondContact O-N 3.39Å; K47-F49 HydrophobicContact CB-CE2 4.36Å; K47-F49 WeakPolarHBondContact O-CD2 3.43Å; K47-F49 PolarHBondContact O-N 3.24Å
48T34.5Very low37.9Very low131 Ų131155.8 Ų155.880%0.80478%0.775SS**  trans-64.398172.2-34.80000108.8S46 K50S46-T48 PolarHBondContact O-N 3.36Å; S46-T48 VanDerWaalsContact O-N 3.13Å; T48-K50 PolarHBondContact O-N 3.07Å
49F36.3Very low37.5Very low174 Ų174156.6 Ų156.676%0.76378%0.778SS**  trans-71.5110169.1-76.6-84.6000108.5K47 T51K47-F49 HydrophobicContact CB-CE2 4.36Å; K47-F49 WeakPolarHBondContact O-CD2 3.43Å; K47-F49 PolarHBondContact O-N 3.24Å; F49-T51 VanDerWaalsContact C-N 3.28Å; F49-T51 PolarHBondContact O-N 2.92Å
50K35.3Very low37.2Very low195 Ų195157.4 Ų157.485%0.84878%0.783SS**  trans-68.488.1165.5-73.1-178.7178178.60108T48 N52T48-K50 PolarHBondContact O-N 3.07Å; K50-N52 PolarHBondContact O-N 3.08Å; K50-N52 VanDerWaalsContact O-N 3.11Å
51T37.6Very low36.6Very low125 Ų125158.3 Ų158.377%0.76779%0.788SS**  trans-74.298.2167.346.90000108F49 S53F49-T51 VanDerWaalsContact C-N 3.28Å; F49-T51 PolarHBondContact O-N 2.92Å; T51-S53 PolarHBondContact O-N 2.69Å; T51-S53 VanDerWaalsContact O-N 3.14Å
52N35Very low36.3Very low149 Ų149160.2 Ų160.280%0.79779%0.79SS**  trans-55.4117.2165.5-72.6-30000107.8K50 P54K50-N52 PolarHBondContact O-N 3.08Å; K50-N52 VanDerWaalsContact O-N 3.11Å; N52-P54 WeakPolarHBondContact O-CD 3.47Å
53S31.8Very low36Very low104 Ų104156 Ų15673%0.72779%0.786SS**  trans-82.4103.8178169.90000109.3T51 R55T51-S53 PolarHBondContact O-N 2.69Å; T51-S53 VanDerWaalsContact O-N 3.14Å; S53-R55 PolarHBondContact O-N 3.03Å
54P38.4Very low35.8Very low95 Ų95154.6 Ų154.662%0.61778%0.782SS**  trans-70.2116.1167.830-31.7000107.8N52 Y56N52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-Y56 VanDerWaalsContact C-N 3.29Å; P54-Y56 HydrophobicContact CB-CD2 4.45Å; P54-Y56 PolarHBondContact O-N 3.14Å
55R34.1Very low35.3Very low246 Ų246155.4 Ų155.493%0.92879%0.789SS**  trans-59.587.4173.2-65.2176.6-168.4152.22109.6S53 S57S53-R55 PolarHBondContact O-N 3.03Å; R55-S57 PolarHBondContact O-N 3.33Å
56Y32.4Very low35.2Very low210 Ų210156.5 Ų156.582%0.82479%0.79SS**  trans-83.1104.5166.2-99.7-86.7000109.1P54 R58P54-Y56 VanDerWaalsContact C-N 3.29Å; P54-Y56 HydrophobicContact CB-CD2 4.45Å; P54-Y56 PolarHBondContact O-N 3.14Å; Y56-R58 PolarHBondContact O-N 2.76Å
57S36.2Very low34.9Very low108 Ų108160.6 Ų160.676%0.75579%0.794SS**  trans-62.697.9171.3175.90000109.5R55 K59R55-S57 PolarHBondContact O-N 3.33Å; S57-K59 PolarHBondContact O-N 3.33Å
58R37.1Very low34.8Very low244 Ų244162 Ų16292%0.92180%0.801SS**  trans-83.397.1176.3-151.2178.1-154.2177.66.1108.1Y56 S60Y56-R58 PolarHBondContact O-N 2.76Å; R58-S60 PolarHBondContact O-N 3.4Å
59K37.7Very low34.6Very low187 Ų187164.4 Ų164.481%0.81380%0.802SS**  trans-53.9120.3169.6-67.6178.2179.8178.50108.6S57 L61S57-K59 PolarHBondContact O-N 3.33Å; K59-L61 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact O-N 3.17Å
60S37Very low34.4Very low114 Ų114161.6 Ų161.680%0.79780%0.804SS**  trans-71102.1-178.845.50000110.4R58 K62R58-S60 PolarHBondContact O-N 3.4Å; S60-K62 PolarHBondContact O-N 3.15Å; S60-K62 VanDerWaalsContact O-N 3.12Å
61L33.6Very low34.2Very low166 Ų166158 Ų15887%0.86980%0.798SS**  trans-75.198.2165-106.5134.4000108K59 T63K59-L61 PolarHBondContact O-N 2.92Å; K59-L61 VanDerWaalsContact O-N 3.17Å; L61-T63 PolarHBondContact O-N 3.11Å; L61-T63 PolarHBondContact O-OG1 3.43Å
62K34.8Very low33.8Very low181 Ų181161.7 Ų161.779%0.78780%0.8SS**  trans-60.795.8169.6-108174.5173.9176.90108.9S60S60-K62 PolarHBondContact O-N 3.15Å; S60-K62 VanDerWaalsContact O-N 3.12Å
63T32.9Very low33.7Very low124 Ų124163.7 Ų163.776%0.76180%0.801SS**  trans-88.7107.9167.1-13.10000108.3L61 C65L61-T63 PolarHBondContact O-N 3.11Å; L61-T63 PolarHBondContact O-OG1 3.43Å; T63-C65 PolarHBondContact O-N 3.35Å; T63-C65 VanDerWaalsContact O-N 3.08Å
64Y32.7Very low33.7Very low200 Ų200167.1 Ų167.178%0.78481%0.806SS**  trans-63.3101.8172.1-90.8-97.3000109.5
65C31Very low33.3Very low115 Ų115167.1 Ų167.178%0.77781%0.808SS**  trans-89.7104.5165.8-74.10000108.7T63 K67T63-C65 PolarHBondContact O-N 3.35Å; T63-C65 VanDerWaalsContact O-N 3.08Å; C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 3.23Å
66N32.2Very low33.1Very low147 Ų147164.2 Ų164.279%0.78681%0.805SS**  trans-64.586170.4-79.6-37.2000110.1K68N66-K68 PolarHBondContact O-N 2.9Å
67K35Very low33Very low194 Ų194161.1 Ų161.184%0.84380%0.803SS**  trans-86.191.2173-158.9162.9-174.8173.50108.7C65 H69C65-K67 VanDerWaalsContact C-N 3.31Å; C65-K67 PolarHBondContact O-N 3.23Å; K67-H69 PolarHBondContact O-N 2.78Å
68K36.1Very low32.5Very low194 Ų194162 Ų16284%0.84380%0.804SS**  trans-59.4130.7173-71.5-172.9177.6179.30109.8N66N66-K68 PolarHBondContact O-N 2.9Å
69H30.1Very low32.3Very low181 Ų181156.4 Ų156.484%0.83880%0.797SS**  trans-57.5128.2177-62.2-92.4000111.4K67K67-H69 PolarHBondContact O-N 2.78Å
70S31.3Very low31.7Very low114 Ų114154.9 Ų154.980%0.79780%0.798SS**  trans-12691.9157.8166.90000106.9Y72S70-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact O-N 3.12Å
71T31.3Very low31.4Very low120 Ų120154.5 Ų154.574%0.73680%0.795SS**  trans-71.394.2175.8-440000108.3K73T71-K73 PolarHBondContact O-N 3.08Å
72Y29.4Very low31.1Very low203 Ų203153.7 Ų153.780%0.79679%0.792SS**  trans-84.9109.8169.3-168.6-101.6000108.4S70 Q74S70-Y72 PolarHBondContact O-N 3.07Å; S70-Y72 VanDerWaalsContact O-N 3.12Å; Y72-Q74 PolarHBondContact O-N 2.9Å
73K32.4Very low30.7Very low190 Ų190153 Ų15383%0.82680%0.797SS**  trans-69.7107.7173.7-71.3-160.3174.6-170.30108.7T71T71-K73 PolarHBondContact O-N 3.08Å
74Q31.3Very low30.4Very low176 Ų176152.2 Ų152.282%0.82280%0.796SS**  trans-87.7113.2169.2-161.3169.85.600107.6Y72Y72-Q74 PolarHBondContact O-N 2.9Å
75S30.3Very low30.3Very low96 Ų96151.1 Ų151.167%0.67180%0.803SS**  trans-64.6126.9175.450.40000110.5N77S75-N77 PolarHBondContact O-N 2.87Å; S75-N77 VanDerWaalsContact O-N 3.13Å
76E29.7Very low30.1Very low184 Ų184150.7 Ų150.786%0.8680%0.801SS**  trans-58.8106165.6-76.7171.2136.100109.4
77N31.6Very low29.9Very low145 Ų145148.8 Ų148.878%0.77580%0.799SS**  trans-11496.7157.5-82.8-9.8000107.2S75 T79S75-N77 PolarHBondContact O-N 2.87Å; S75-N77 VanDerWaalsContact O-N 3.13Å; N77-T79 PolarHBondContact O-N 3.29Å
78T25.9Very low29.5Very low126 Ų126145.6 Ų145.677%0.77380%0.796SS**  trans-68.1105.4167.8-16.10000107.8
79T31.7Very low29.3Very low127 Ų127142.7 Ų142.778%0.77979%0.789SS**  trans-150.4107.1157.7-29.90000108.8N77 S81N77-T79 PolarHBondContact O-N 3.29Å; T79-S81 PolarHBondContact O-N 2.83Å
80D25.8Very low29.3Very low156 Ų156137.6 Ų137.683%0.83479%0.785SS**  trans-60.9119.9169.3-64-56000110.3
81S30.2Very low29.5Very low105 Ų105137.7 Ų137.773%0.73478%0.775SS**  trans-174.2105.1142.758.80000111.5T79T79-S81 PolarHBondContact O-N 2.83Å
82N27.6Very low29.6Very low149 Ų149136.7 Ų136.780%0.79777%0.774SS**  trans36112.2136.9-62.4-29.6000119.8
83N25.5Very low30.1Very low167 Ų167131.9 Ų131.989%0.89376%0.762SS**  trans46.584.3134.7-70.2-15.1000117.4
84S28Very low30.3Very low107 Ų107129.8 Ų129.875%0.74876%0.759SS**  trans-133.6125139.374.30000109.9S86S84-S86 PolarHBondContact O-N 3.34Å
85L29.3Very low31.1Very low177 Ų177131.8 Ų131.893%0.92777%0.765SS**  trans-62.891.3-178.4-69.1147.2000109.7
86S26.6Very low31.8Very low107 Ų107128.9 Ų128.975%0.74875%0.745SS**  trans-99.372164.1-740000109S84 T88S84-S86 PolarHBondContact O-N 3.34Å; S86-T88 PolarHBondContact O-N 3.31Å
87S29.1Very low32.4Very low106 Ų106122.5 Ų122.574%0.74173%0.728SS**  trans-85.588.9169.567.10000109.6I89S87-I89 PolarHBondContact O-N 3.05Å
88T26.6Very low33.2Very low127 Ų127123.6 Ų123.678%0.77973%0.728SS**  trans-51115.9158.7-60.70000110.9S86S86-T88 PolarHBondContact O-N 3.31Å
89I32.2Very low34.5Very low134 Ų134123.4 Ų123.469%0.68773%0.727SS**  trans-136.776.7150.3-60.5-176.5000107.3S87 I91S87-I89 PolarHBondContact O-N 3.05Å; I89-I91 HydrophobicContact CG2-CB 4.49Å; I89-I91 HydrophobicContact CG2-CD1 3.3Å; I89-I91 HydrophobicContact CG2-CG1 3.44Å; I89-I91 VanDerWaalsContact CG2-CG1 3.44Å; I89-I91 PolarHBondContact O-N 3.19Å
90G28.4Very low35.7Very low74 Ų74120.5 Ų120.576%0.76371%0.709SS**  trans-77.690.9161.400000108.5
91I35.5Very low37.1Very low115 Ų115118.6 Ų118.659%0.5970%0.695SS**  trans-89.1105.4170.1-70.6163000108I89 N93I89-I91 HydrophobicContact CG2-CB 4.49Å; I89-I91 HydrophobicContact CG2-CD1 3.3Å; I89-I91 HydrophobicContact CG2-CG1 3.44Å; I89-I91 VanDerWaalsContact CG2-CG1 3.44Å; I89-I91 PolarHBondContact O-N 3.19Å; I91-N93 HydrophobicContact CG2-CB 4.47Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.05Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.42Å; I91-N93 PolarHBondContact O-N 3.09Å
92S34.7Very low38.4Very low100 Ų100119 Ų11970%0.69969%0.689SS**  trans-7284.7170.558.60000110.5N94S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3Å
93N39.5Very low39.8Very low102 Ų102114.2 Ų114.255%0.54567%0.669SS.*  trans-90.970.8173.4-74.8-14.5000110.9I91 K95I91-N93 HydrophobicContact CG2-CB 4.47Å; I91-N93 WeakPolarHBondContact CG2-ND2 3.05Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.42Å; I91-N93 PolarHBondContact O-N 3.09Å; N93-K95 PolarHBondContact O-N 2.89Å
94N37.4Very low41.1Very low145 Ų145109.9 Ų109.978%0.77565%0.647SS**THydrogen-bonded Turntrans-68.8120159.2-68.1-32.1000107.5S92S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3Å
95K46.3Very low42.6Very low218 Ų218113.6 Ų113.695%0.94864%0.644SS**THydrogen-bonded Turntrans91.331.5180-54.6174.7172178.70117.7N93N93-K95 PolarHBondContact O-N 2.89Å
96S45.6Very low43.8Very low36 Ų36108.7 Ų108.725%0.25262%0.621SS.*  trans-88.5121.9162.380.90000109.4T100S96-T100 WeakPolarHBondContact CB-OG1 3.34Å
97G42.8Very low45.2Very low49 Ų49109.4 Ų109.451%0.50561%0.613SS.*  trans-57.5160.4-178.300000111.7V99 T100 Q101G97-V99 PolarHBondContact O-N 3.46Å; G97-T100 PolarHBondContact N-OG1 3.27Å; G97-T100 PolarHBondContact O-N 3.32Å; G97-T100 PolarHBondContact O-OG1 3Å; G97-T100 VanDerWaalsContact O-OG1 3.04Å; G97-Q101 PolarHBondContact O-N 3.47Å
98H48.2Very low46.4Very low168 Ų168111 Ų11178%0.77861%0.608SS**Hα-helixtrans-41.1-34.4-176.4-103.3-80.3000115.3L102H98-L102 PolarHBondContact O-N 3.12Å
99V53.6Low47.7Very low122 Ų122110 Ų11074%0.73960%0.597SS**Hα-helixtrans-66.7-40.6178.9-175.10000112.5G97 L102 A103G97-V99 PolarHBondContact O-N 3.46Å; V99-L102 PolarHBondContact O-N 3.07Å; V99-A103 PolarHBondContact O-N 3.47Å
100T56.7Low48.8Very low66 Ų66109.2 Ų109.241%0.40559%0.594SS.*Hα-helixtrans-72.3-32.8-179.8-7.90000111.5S96 G97 L102 A103 N104S96-T100 WeakPolarHBondContact CB-OG1 3.34Å; G97-T100 PolarHBondContact N-OG1 3.27Å; G97-T100 PolarHBondContact O-N 3.32Å; G97-T100 PolarHBondContact O-OG1 3Å; G97-T100 VanDerWaalsContact O-OG1 3.04Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-A103 PolarHBondContact O-N 3.04Å; T100-N104 PolarHBondContact O-N 2.82Å; T100-N104 VanDerWaalsContact O-N 3.13Å
101Q54.4Low49.9Very low117 Ų117110 Ų11055%0.54758%0.58SS.*Hα-helixtrans-65.4-37.8172.9-126.2179.719.900111.9G97 R105G97-Q101 PolarHBondContact O-N 3.47Å; Q101-R105 WeakPolarHBondContact O-CG 3.48Å; Q101-R105 PolarHBondContact O-N 3.19Å; Q101-R105 VanDerWaalsContact O-N 3.17Å
102L58.2Low50.7Low113 Ų113110.5 Ų110.559%0.59258%0.58SS**Hα-helixtrans-68.7-44.3175.8-173.466.3000111.6H98 V99 T100 N104 R105 V106H98-L102 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.07Å; T100-L102 VanDerWaalsContact C-N 3.33Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.81Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.13Å; L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 2.88Å
103A57.7Low51.2Low48 Ų48111.2 Ų111.240%0.39758%0.576SS.*Hα-helixtrans-57.1-46.9177.400000111.7V99 T100 R105 V106 E107V99-A103 PolarHBondContact O-N 3.47Å; T100-A103 PolarHBondContact O-N 3.04Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 3.43Å; A103-V106 PolarHBondContact O-N 3.49Å; A103-E107 PolarHBondContact O-N 3.03Å
104N52.8Low51.6Low77 Ų77109.3 Ų109.341%0.41257%0.571SS.*Hα-helixtrans-63.3-36.3176.7-73.3-3.5000112.6T100 L102 H108T100-N104 PolarHBondContact O-N 2.82Å; T100-N104 VanDerWaalsContact O-N 3.13Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.81Å; N104-H108 PolarHBondContact O-CD2 3.04Å; N104-H108 PolarHBondContact O-N 3.12Å; N104-H108 VanDerWaalsContact O-N 3.14Å
105R58.5Low52.1Low185 Ų185107.3 Ų107.370%0.69856%0.559SS**Hα-helixtrans-68.2-37.3175.5-76.4178.597.31635.4112.4Q101 L102 A103 H108 L109Q101-R105 WeakPolarHBondContact O-CG 3.48Å; Q101-R105 PolarHBondContact O-N 3.19Å; Q101-R105 VanDerWaalsContact O-N 3.17Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.13Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-R105 PolarHBondContact O-N 3.43Å; R105-H108 PolarHBondContact O-N 2.75Å; R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 3.5Å; R105-L109 VanDerWaalsContact O-N 3.13Å
106V56Low51.9Low73 Ų73102 Ų10244%0.44254%0.541SS..Hα-helixtrans-68.6-41.1177.9174.40000111L102 A103 H108 L109 L110L102-V106 HydrophobicContact CG-CG2 4.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.24Å; L102-V106 PolarHBondContact O-N 2.88Å; A103-V106 PolarHBondContact O-N 3.49Å; V106-H108 VanDerWaalsContact C-N 3.33Å; V106-H108 PolarHBondContact O-N 3.48Å; V106-L109 PolarHBondContact O-N 3.17Å; V106-L110 HydrophobicContact CG1-CD1 4.14Å; V106-L110 PolarHBondContact O-N 3Å; V106-L110 VanDerWaalsContact O-N 3.08Å
107E55.3Low51.8Low123 Ų123104.6 Ų104.658%0.57556%0.555SS**Hα-helixtrans-61.4-41.1174.2-75.2-175.5175.200111.9A103 L109 L110 I111A103-E107 PolarHBondContact O-N 3.03Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 2.72Å; E107-L110 PolarHBondContact O-N 3.05Å; E107-I111 WeakPolarHBondContact O-CG1 3.39Å; E107-I111 PolarHBondContact O-N 2.84Å; E107-I111 VanDerWaalsContact O-N 3.13Å
108H53.9Low51.7Low138 Ų138108.2 Ų108.264%0.63956%0.562SS**Hα-helixtrans-64.7-34.4176.1-92.8-76.7000113.9N104 R105 V106 Q112N104-H108 PolarHBondContact O-CD2 3.04Å; N104-H108 PolarHBondContact O-N 3.12Å; N104-H108 VanDerWaalsContact O-N 3.14Å; R105-H108 PolarHBondContact O-N 2.75Å; V106-H108 VanDerWaalsContact C-N 3.33Å; V106-H108 PolarHBondContact O-N 3.48Å; H108-Q112 PolarHBondContact O-N 3.39Å
109L53.9Low51.2Low106 Ų106104.4 Ų104.456%0.55556%0.555SS**Hα-helixtrans-70.2-40.8176.1-74168.7000111.8R105 V106 E107 I111 Q112 D113R105-L109 WeakPolarHBondContact O-CG 3.45Å; R105-L109 PolarHBondContact O-N 3.5Å; R105-L109 VanDerWaalsContact O-N 3.13Å; V106-L109 PolarHBondContact O-N 3.17Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-L109 PolarHBondContact O-N 2.72Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.26Å; L109-Q112 PolarHBondContact O-N 2.76Å; L109-D113 PolarHBondContact O-N 2.97Å
110L55.1Low50.4Low118 Ų118106.6 Ų106.662%0.61856%0.557SS**Hα-helixtrans-63.4-36.2176.6-85.5157.1000112.6V106 E107 S114V106-L110 HydrophobicContact CG1-CD1 4.14Å; V106-L110 PolarHBondContact O-N 3Å; V106-L110 VanDerWaalsContact O-N 3.08Å; E107-L110 PolarHBondContact O-N 3.05Å; L110-S114 PolarHBondContact O-N 3.17Å
111I52.6Low49.4Very low92 Ų92109.9 Ų109.947%0.47257%0.572SS.*Hα-helixtrans-68.4-39.3177.5-64164.1000110.8E107 L109 D113 S114 I115E107-I111 WeakPolarHBondContact O-CG1 3.39Å; E107-I111 PolarHBondContact O-N 2.84Å; E107-I111 VanDerWaalsContact O-N 3.13Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.26Å; I111-D113 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-N 3.03Å; I111-S114 PolarHBondContact O-OG 3.47Å; I111-I115 HydrophobicContact CG2-CD1 3.86Å; I111-I115 HydrophobicContact CG2-CG1 4.45Å; I111-I115 WeakPolarHBondContact O-CG1 3.23Å; I111-I115 PolarHBondContact O-N 3.33Å
112Q51.5Low48.3Very low124 Ų124115 Ų11558%0.57959%0.586SS**Hα-helixtrans-63.6-38.5178.2-80.6-170.9-31.300113.3H108 L109 S114 I115 N116H108-Q112 PolarHBondContact O-N 3.39Å; L109-Q112 PolarHBondContact O-N 2.76Å; Q112-S114 VanDerWaalsContact C-N 3.3Å; Q112-S114 PolarHBondContact O-N 3.2Å; Q112-I115 PolarHBondContact O-N 2.89Å; Q112-N116 PolarHBondContact O-N 2.88Å
113D46.3Very low47.1Very low115 Ų115118.2 Ų118.262%0.61560%0.598SS**Hα-helixtrans-67.6-31.5177.9-75.8-15.2000112.4L109 I111 T117L109-D113 PolarHBondContact O-N 2.97Å; I111-D113 PolarHBondContact O-N 3.49Å; D113-T117 WeakPolarHBondContact O-CG2 3.5Å; D113-T117 PolarHBondContact O-N 3.22Å; D113-T117 PolarHBondContact O-OG1 3.26Å
114S46.2Very low46Very low63 Ų63123.8 Ų123.844%0.44162%0.621SS.*Hα-helixtrans-72.3-33.4176.272.90000113.5L110 I111 Q112 T117 L118L110-S114 PolarHBondContact O-N 3.17Å; I111-S114 PolarHBondContact O-N 3.03Å; I111-S114 PolarHBondContact O-OG 3.47Å; Q112-S114 VanDerWaalsContact C-N 3.3Å; Q112-S114 PolarHBondContact O-N 3.2Å; S114-T117 PolarHBondContact O-OG1 2.83Å; S114-T117 VanDerWaalsContact O-OG1 3.1Å; S114-L118 PolarHBondContact O-N 2.93Å
115I48.2Very low44.9Very low103 Ų103128.8 Ų128.853%0.52864%0.641SS.*Hα-helixtrans-76.2-37.3-179.7-58.5166.5000110.3I111 Q112 T117 L118 S119I111-I115 HydrophobicContact CG2-CD1 3.86Å; I111-I115 HydrophobicContact CG2-CG1 4.45Å; I111-I115 WeakPolarHBondContact O-CG1 3.23Å; I111-I115 PolarHBondContact O-N 3.33Å; Q112-I115 PolarHBondContact O-N 2.89Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 2.77Å; I115-L118 PolarHBondContact O-N 3.19Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 VanDerWaalsContact O-N 3.13Å
116N43.2Very low43.5Very low107 Ų107126.4 Ų126.457%0.57264%0.642SS**Hα-helixtrans-70.3-26.4177.8-77.9-18.4000113.3Q112Q112-N116 PolarHBondContact O-N 2.88Å
117T42.5Very low42.3Very low89 Ų89127.8 Ų127.855%0.54665%0.65SS.*Hα-helixtrans-80.7-26.6173.547.90000113D113 S114 I115 N121D113-T117 WeakPolarHBondContact O-CG2 3.5Å; D113-T117 PolarHBondContact O-N 3.22Å; D113-T117 PolarHBondContact O-OG1 3.26Å; S114-T117 PolarHBondContact O-OG1 2.83Å; S114-T117 VanDerWaalsContact O-OG1 3.1Å; I115-T117 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 2.77Å; T117-N121 PolarHBondContact O-ND2 2.87Å
118L40.3Very low41Very low125 Ų125131.5 Ų131.565%0.65466%0.66SS**Hα-helixtrans-80.3-31.5177.6-158.572.5000112.9S114 I115 Q120 N121S114-L118 PolarHBondContact O-N 2.93Å; I115-L118 PolarHBondContact O-N 3.19Å; L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.25Å; L118-N121 PolarHBondContact O-N 2.86Å
119S38.3Very low39.9Very low89 Ų89132.3 Ų132.362%0.62266%0.664SS**Hα-helixtrans-71.5-27.6179.795.20000113.2I115 N121I115-S119 PolarHBondContact O-N 3Å; I115-S119 VanDerWaalsContact O-N 3.13Å; S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.04Å
120Q37.8Very low38.6Very low168 Ų168134 Ų13479%0.78568%0.679SS**THydrogen-bonded Turntrans-78.4-11.8177.3-81.5-172.2-11.200114.3L118L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.25Å
121N34.1Very low37.6Very low135 Ų135136.8 Ų136.872%0.72269%0.689SS**THydrogen-bonded Turntrans-97.23.8-176.5-82.1-59.8000114.9T117 L118 S119T117-N121 PolarHBondContact O-ND2 2.87Å; L118-N121 PolarHBondContact O-N 2.86Å; S119-N121 VanDerWaalsContact C-N 3.32Å; S119-N121 PolarHBondContact O-N 3.04Å
122R32.6Very low36.4Very low224 Ų224141.1 Ų141.185%0.84570%0.704SS**SBendtrans-100.72.5-177.1-98.2-167.1-179174.62.4117.3
123E33.3Very low35.3Very low181 Ų181140.6 Ų140.685%0.84671%0.711SS**SBendtrans-117.811.9-172.6-129.2173.2-172.500116.7
124L33.9Very low34.6Very low165 Ų165141.6 Ų141.686%0.86472%0.717SS**  trans-121.238174.9-64175.8000113.4L126L124-L126 PolarHBondContact O-N 3.09Å
125Q29.6Very low33.6Very low182 Ų182147.1 Ų147.185%0.8573%0.733SS**  trans-7384155.4-82.5-172.7-7.300108.2V127Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 2.82Å
126L28.8Very low32.8Very low135 Ų135150 Ų15071%0.70775%0.749SS**  trans-62.792.8168.7-163.875.7000107.7L124 Y128L124-L126 PolarHBondContact O-N 3.09Å; L126-Y128 WeakPolarHBondContact O-CD2 3.09Å; L126-Y128 PolarHBondContact O-N 3.13Å; L126-Y128 VanDerWaalsContact O-N 3.15Å
127V30.8Very low31.9Very low102 Ų102153.2 Ų153.262%0.61876%0.76SS**  trans-68.8108174.3176.40000107.5Q125 H129Q125-V127 VanDerWaalsContact C-N 3.31Å; Q125-V127 PolarHBondContact O-N 2.82Å; V127-H129 PolarHBondContact O-N 2.93Å
128Y29.1Very low31.3Very low201 Ų201155.5 Ų155.579%0.78877%0.769SS**  trans-64.396172.3-71.6-94000109.3L126 T130L126-Y128 WeakPolarHBondContact O-CD2 3.09Å; L126-Y128 PolarHBondContact O-N 3.13Å; L126-Y128 VanDerWaalsContact O-N 3.15Å; Y128-T130 PolarHBondContact O-N 3.31Å
129H30.6Very low30.4Very low155 Ų155156.9 Ų156.972%0.71877%0.772SS**  trans-79.393.1163.3-77.9-76.8000108.6V127 E131V127-H129 PolarHBondContact O-N 2.93Å; H129-E131 PolarHBondContact O-N 3.05Å; H129-E131 VanDerWaalsContact O-N 3.11Å
130T26.3Very low29.8Very low141 Ų141159.3 Ų159.387%0.86578%0.777SS**  trans-67.890.4162.6300000109.1Y128Y128-T130 PolarHBondContact O-N 3.31Å
131E33Very low29.4Very low176 Ų176159 Ų15982%0.82278%0.78SS**  trans-104.9133.9165.2-73.7-169.8169.800110.6H129H129-E131 PolarHBondContact O-N 3.05Å; H129-E131 VanDerWaalsContact O-N 3.11Å
132K27.1Very low28.9Very low183 Ų183158.2 Ų158.280%0.79679%0.785SS**  trans-66.8146.7-171.4-124.6174174.4-175.60111.5
133P29.6Very low28.6Very low113 Ų113152.5 Ų152.573%0.73478%0.78SS**  trans-93.6103.8179.434.1-26.3000110.5
134D30.9Very low28.3Very low136 Ų136150.3 Ų150.373%0.72778%0.779SS**  trans-120.898.4169.7-76.8-41.2000110.5
135F26.5Very low28.1Very low180 Ų180151.9 Ų151.979%0.78978%0.779SS**  trans19.8101.8145-69.2-92.9000118.8
136L31.6Very low28.2Very low162 Ų162152.1 Ų152.185%0.84878%0.777SS**  trans-145.278143.6-80.2-176.6000109.6N138L136-N138 PolarHBondContact O-N 3.18Å
137E24.2Very low28.1Very low176 Ų176152.1 Ų152.182%0.82278%0.778SS**  trans-80.283.7168.3-170.4173.8-168.700108.6
138N28.5Very low28.2Very low136 Ų136152.4 Ų152.473%0.72778%0.781SS**  trans-111.397.1167.8-83.3-23.2000109.3L136L136-N138 PolarHBondContact O-N 3.18Å
139H22.8Very low28.2Very low155 Ų155149 Ų14972%0.71878%0.777SS**  trans41.9119.3133.1-88-87.9000119.7
140L24.4Very low28.2Very low140 Ų140147 Ų14773%0.73378%0.78SS**  56.194.2128.8-63.9172000117
141L29.2Very low28.5Very low160 Ų160149.6 Ų149.684%0.83878%0.78SS**  -179.3113.3110.9-115.167.3000110
142S25Very low28.5Very low119 Ų119148.4 Ų148.483%0.83278%0.778SS**  trans48.182.6150.4-55.50000118.2
143S24.6Very low28.7Very low105 Ų105144.7 Ų144.773%0.73477%0.772SS**  trans-18.5141.1155.861.70000119.7
144T28.5Very low28.8Very low134 Ų134144.2 Ų144.282%0.82277%0.772SS**  trans77.958.313952.60000118.5K146T144-K146 PolarHBondContact O-N 2.82Å
145K29.2Very low29.3Very low199 Ų199143.2 Ų143.287%0.86577%0.772SS**  trans-44.3116.7144.3-156.7174.4-172.1176.90111.2
146K31.2Very low29.7Very low186 Ų186140.1 Ų140.181%0.80977%0.768SS**  trans31.2103.9148.6-62.9-179.1178.3-177.80116.2T144 P148T144-K146 PolarHBondContact O-N 2.82Å; K146-P148 WeakPolarHBondContact O-CD 3.33Å; K146-P148 VanDerWaalsContact O-N 3.16Å
147N27.4Very low30.2Very low136 Ų136138.3 Ų138.373%0.72776%0.764SS**  trans-55.2111.8166.4-163.8-18.1000110.1N149N147-N149 PolarHBondContact O-N 2.91Å; N147-N149 PolarHBondContact OD1-N 3.09Å
148P33.5Very low31.3Very low107 Ų107134.8 Ų134.870%0.69576%0.755SS**THydrogen-bonded Turntrans-79.91.4-177.7-9.827.6000113.9K146K146-P148 WeakPolarHBondContact O-CD 3.33Å; K146-P148 VanDerWaalsContact O-N 3.16Å
149N27.9Very low32.1Very low131 Ų131134.7 Ų134.770%0.70176%0.759SS**THydrogen-bonded Turntrans-98.518-168.6-73.7-11.2000115.7N147 F151N147-N149 PolarHBondContact O-N 2.91Å; N147-N149 PolarHBondContact OD1-N 3.09Å; N149-F151 PolarHBondContact O-N 3.23Å
150S30.4Very low33.4Very low112 Ų112134.2 Ų134.278%0.78376%0.761SS**  trans-90.546.8170-179.40000112.1
151F32.7Very low34.8Very low195 Ų195132.5 Ų132.586%0.85576%0.761SS**  trans-116.856.6161.5-78-78000108.4N149 P153N149-F151 PolarHBondContact O-N 3.23Å; F151-P153 VanDerWaalsContact O-CD 3.25Å; F151-P153 WeakPolarHBondContact O-CD 3.06Å
152I32.9Very low36.5Very low152 Ų152128 Ų12878%0.77974%0.743SS**  trans-85.3107.3157.5-59.1179.2000104.7S154I152-S154 PolarHBondContact O-N 3.27Å
153P32Very low38.2Very low104 Ų104125 Ų12568%0.67572%0.72SS**  trans-56.4129.9178.723.1-31.3000108.1F151F151-P153 VanDerWaalsContact O-CD 3.25Å; F151-P153 WeakPolarHBondContact O-CD 3.06Å
154S31.5Very low40Very low104 Ų104129.4 Ų129.473%0.72772%0.721SS**  trans-42.8128.7171-161.70000108.1I152 V156I152-S154 PolarHBondContact O-N 3.27Å; S154-V156 PolarHBondContact O-N 3.28Å
155P41.1Very low41.9Very low114 Ų114129 Ų12974%0.7471%0.706SS**  trans-52.4114.4-174.220.9-31.6000107T157P155-T157 PolarHBondContact O-N 3.35Å
156V35.5Very low43.6Very low116 Ų116127.8 Ų127.870%0.70370%0.695SS**  trans-45.5111.7173.9175.10000104.9S154 T158S154-V156 PolarHBondContact O-N 3.28Å; V156-T158 HydrophobicContact CG1-CG2 4.32Å; V156-T158 PolarHBondContact O-N 3.01Å
157T41.6Very low45.3Very low124 Ų124125.9 Ų125.976%0.76169%0.689SS**  trans-5884.216935.20000105.5P155 T159P155-T157 PolarHBondContact O-N 3.35Å; T157-T159 VanDerWaalsContact C-N 3.26Å; T157-T159 PolarHBondContact O-N 3.2Å
158T46.9Very low47.1Very low101 Ų101123.4 Ų123.462%0.6268%0.682SS**  trans-65.7103.6167.642.40000103.5V156 L160V156-T158 HydrophobicContact CG1-CG2 4.32Å; V156-T158 PolarHBondContact O-N 3.01Å; T158-L160 PolarHBondContact O-N 2.95Å
159T46.8Very low48.6Very low135 Ų135127.9 Ų127.983%0.82868%0.684SS**  trans-61.629171.939.10000112.2T157 S161T157-T159 VanDerWaalsContact C-N 3.26Å; T157-T159 PolarHBondContact O-N 3.2Å; T159-S161 PolarHBondContact O-N 3.44Å
160L50Low50.5Low145 Ų145127.4 Ų127.476%0.75969%0.689SS**  trans-69.885.5163.4-65.8174.5000105.3T158 S162T158-L160 PolarHBondContact O-N 2.95Å; L160-S162 PolarHBondContact O-N 3.13Å
161S54.2Low52.6Low103 Ų103131.9 Ų131.972%0.7269%0.694SS**  trans-43.7115.7176.569.50000106.8T159T159-S161 PolarHBondContact O-N 3.44Å
162S63.1Low54.5Low66 Ų66126.7 Ų126.746%0.46269%0.687SS.*  trans-50134.5173.3-83.70000107.1L160 W164L160-S162 PolarHBondContact O-N 3.13Å; S162-W164 PolarHBondContact O-N 3.42Å; S162-W164 VanDerWaalsContact O-N 3.09Å
163P61.2Low56.4Low56 Ų56124.9 Ų124.936%0.36469%0.685SS.*  trans-49.1126.5-174.5-27.932.8000109.7Y165 R166P163-Y165 HydrophobicContact CB-CD1 3.42Å; P163-Y165 VanDerWaalsContact CB-CD1 3.42Å; P163-Y165 HydrophobicContact CB-CE1 3.08Å; P163-Y165 HydrophobicContact CB-CE2 4.45Å; P163-Y165 HydrophobicContact CB-CG 4.26Å; P163-Y165 HydrophobicContact CG-CE1 3.88Å; P163-Y165 PolarHBondContact O-N 3.14Å; P163-R166 WeakPolarHBondContact O-CB 3.5Å; P163-R166 PolarHBondContact O-N 3.46Å
164W62.5Low58.3Low198 Ų198125 Ų12575%0.7569%0.686SS**G310 helixtrans-49-30.8-172.259-91.7000112.9S162 R166 H167 C168S162-W164 PolarHBondContact O-N 3.42Å; S162-W164 VanDerWaalsContact O-N 3.09Å; W164-R166 PolarHBondContact O-N 3.38Å; W164-H167 PolarHBondContact O-N 3.13Å; W164-C168 PolarHBondContact O-N 3.06Å; W164-C168 PolarHBondContact O-SG 2.81Å
165Y68.7Low59.8Low126 Ų126125.8 Ų125.849%0.49469%0.688SS.*G310 helixtrans-62.6-20.5176.971.8-105.5000114.6P163 H167P163-Y165 HydrophobicContact CB-CD1 3.42Å; P163-Y165 VanDerWaalsContact CB-CD1 3.42Å; P163-Y165 HydrophobicContact CB-CE1 3.08Å; P163-Y165 HydrophobicContact CB-CE2 4.45Å; P163-Y165 HydrophobicContact CB-CG 4.26Å; P163-Y165 HydrophobicContact CG-CE1 3.88Å; P163-Y165 PolarHBondContact O-N 3.14Å; Y165-H167 VanDerWaalsContact C-N 3.34Å
166R64.4Low60.7Low172 Ų172128.2 Ų128.265%0.64969%0.694SS**G310 helixtrans-72-30.7173.7-74.5-161173.3-1510.9112.2P163 W164P163-R166 WeakPolarHBondContact O-CB 3.5Å; P163-R166 PolarHBondContact O-N 3.46Å; W164-R166 PolarHBondContact O-N 3.38Å
167H66.2Low61.8Low147 Ų147128 Ų12868%0.68169%0.692SS**THydrogen-bonded Turntrans-84.5-19.8178.4-57.8-63.7000112.3W164 Y165W164-H167 PolarHBondContact O-N 3.13Å; Y165-H167 VanDerWaalsContact C-N 3.34Å
168C65.6Low62Low84 Ų84125.8 Ų125.857%0.56869%0.687SS**THydrogen-bonded Turntrans-96.415-179-60.20000114.6W164 P170W164-C168 PolarHBondContact O-N 3.06Å; W164-C168 PolarHBondContact O-SG 2.81Å; C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.42Å
169R65.4Low61.8Low200 Ų200130.1 Ų130.176%0.75570%0.697SS**PPolyproline II helixtrans-69.5119.8173.8-79.9-168.1177.1-172.8-0.8109.3K171R169-K171 PolarHBondContact O-N 3.44Å
170P68.7Low61.6Low122 Ų122129.1 Ų129.179%0.79270%0.696SS**PPolyproline II helixtrans-54.7131.1170.6-20.131.5000108.7C168 A172C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-A172 PolarHBondContact O-N 2.67Å
171K74.5Confident61Low206 Ų206128.4 Ų128.490%0.89670%0.698SS**PPolyproline II helixtrans-57.2128.8170.6-121.3169.2179.4175.20107.2R169R169-K171 PolarHBondContact O-N 3.44Å
172A70.9Confident60Low85 Ų85132.3 Ų132.370%0.70270%0.704SS**PPolyproline II helixtrans-56.2141.6176.300000109.4P170P170-A172 PolarHBondContact O-N 2.67Å
173P74.2Confident58.7Low114 Ų114136.1 Ų136.174%0.7472%0.72SS**PPolyproline II helixtrans-56.2142.2174.4-2030.4000110.1
174P71.3Confident57.2Low108 Ų108139.3 Ų139.370%0.70174%0.743SS**PPolyproline II helixtrans-54.4142.3169.9-2131.1000110.1I176P174-I176 PolarHBondContact O-N 2.89Å; P174-I176 VanDerWaalsContact O-N 3.15Å
175P63.7Low55.9Low119 Ų119134.3 Ų134.377%0.77374%0.744SS**PPolyproline II helixtrans-58.2122.9173.324.7-32.1000108.9V177P175-V177 PolarHBondContact O-N 3.06Å
176I58.8Low54Low166 Ų166137.8 Ų137.885%0.85176%0.762SS**  trans-71.5103.5173.1-56.6170.4000105.9P174 A178P174-I176 PolarHBondContact O-N 2.89Å; P174-I176 VanDerWaalsContact O-N 3.15Å; I176-A178 PolarHBondContact O-N 2.97Å
177V58.8Low52.1Low111 Ų111135.5 Ų135.567%0.67377%0.771SS**  trans-69.6112163.5-173.80000105.2P175 F179P175-V177 PolarHBondContact O-N 3.06Å; V177-F179 PolarHBondContact O-N 2.81Å
178A45.1Very low50.4Low78 Ų78133.9 Ų133.965%0.64578%0.775SS**  trans-60.1105.5173.100000107.3I176 S180I176-A178 PolarHBondContact O-N 2.97Å; A178-S180 PolarHBondContact O-N 3.34Å
179F43.5Very low48.6Very low192 Ų192138.7 Ų138.784%0.84279%0.789SS**  trans-56.8109.3163.6-70.7-82000105.6V177 T181V177-F179 PolarHBondContact O-N 2.81Å; F179-T181 PolarHBondContact O-N 3.48Å
180S43.2Very low47Very low114 Ų114136.2 Ų136.280%0.79779%0.79SS**  trans-59.8105173.6-57.30000106.4A178 E182A178-S180 PolarHBondContact O-N 3.34Å; S180-E182 PolarHBondContact O-N 2.81Å; S180-E182 VanDerWaalsContact O-N 3.13Å
181T36.1Very low45.2Very low130 Ų130138.9 Ų138.980%0.79879%0.793SS**  trans-53.6121.8-179.8-39.80000108F179 N183F179-T181 PolarHBondContact O-N 3.48Å; T181-N183 PolarHBondContact O-N 2.89Å
182E33.9Very low43Very low184 Ų184134.2 Ų134.286%0.8679%0.786SS**  trans-54.290.3-175.5-63.2161.7144.800110.6S180 S184S180-E182 PolarHBondContact O-N 2.81Å; S180-E182 VanDerWaalsContact O-N 3.13Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 2.77Å
183N36.4Very low41.1Very low147 Ų147141.5 Ų141.579%0.78680%0.795SS**  trans-84.591.5158.1-82.4-3000107.1T181 A185T181-N183 PolarHBondContact O-N 2.89Å; N183-A185 PolarHBondContact O-N 3.1Å
184S28.9Very low39Very low122 Ų122143 Ų14385%0.85380%0.797SS**  trans-16.288.4159.661.50000114.5E182E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 2.77Å
185A35.6Very low37.1Very low93 Ų93147.7 Ų147.777%0.76981%0.807SS**  trans-112.499161.700000106.8N183 C187N183-A185 PolarHBondContact O-N 3.1Å; A185-C187 PolarHBondContact O-N 3.08Å
186K27.8Very low35.5Very low200 Ų200150.9 Ų150.987%0.8781%0.811SS**  trans-10.2117168.4-86.3167.2166.91750114.5C188K186-C188 PolarHBondContact O-N 2.91Å
187C25.7Very low33.9Very low124 Ų124150.2 Ų150.284%0.83881%0.809SS**  trans-56.4106.8162-53.80000108.6A185 E189A185-C187 PolarHBondContact O-N 3.08Å; C187-E189 PolarHBondContact O-N 2.84Å
188C30.6Very low32.5Very low113 Ų113151.3 Ų151.376%0.76482%0.819SS**  trans-76.3104.6160.4-67.90000106.5K186 N190K186-C188 PolarHBondContact O-N 2.91Å; C188-N190 VanDerWaalsContact C-N 3.27Å; C188-N190 PolarHBondContact O-N 2.77Å
189E28.1Very low31.6Very low185 Ų185156.3 Ų156.386%0.86483%0.83SS**  trans-60.787.3164.5-68.8178.1145.600109C187C187-E189 PolarHBondContact O-N 2.84Å
190N31.2Very low30.8Very low147 Ų147150.7 Ų150.779%0.78683%0.826SS**  trans-112.786165-88.129.5000108.1C188C188-N190 VanDerWaalsContact C-N 3.27Å; C188-N190 PolarHBondContact O-N 2.77Å
191E31.5Very low30.1Very low179 Ų179150.1 Ų150.184%0.83682%0.822SS**  40.4107.2128.8-141.2168.9-164.300116.5R193E191-R193 PolarHBondContact O-N 2.67Å
192S27.9Very low29.8Very low108 Ų108151.9 Ų151.976%0.75583%0.826SS**  trans-33.8108.1161.4-62.40000111.8
193R30.5Very low29.8Very low237 Ų237153.7 Ų153.789%0.89483%0.825SS**  trans-95.5107.9160-75.6-166.3-179.1-175.10.9108E191E191-R193 PolarHBondContact O-N 2.67Å
194D29.9Very low29.4Very low145 Ų145152.4 Ų152.478%0.77583%0.828SS**  trans-51.8138.4177.2-60.6-52.6000111.4E196D194-E196 PolarHBondContact O-N 2.92Å; D194-E196 VanDerWaalsContact O-N 3.09Å
195F31.4Very low29.3Very low207 Ų207149.9 Ų149.991%0.90882%0.821SS**  trans-67.3102.3174.3-73.5-97.7000108.7L197F195-L197 PolarHBondContact O-N 3.3Å; F195-L197 VanDerWaalsContact O-N 3.17Å
196E30.8Very low28.9Very low187 Ų187152.9 Ų152.987%0.87482%0.824SS**  trans-72.6108173-133.9171.3-171.400108.8D194 C198D194-E196 PolarHBondContact O-N 2.92Å; D194-E196 VanDerWaalsContact O-N 3.09Å; E196-C198 PolarHBondContact O-N 3.33Å; E196-C198 VanDerWaalsContact O-N 3.16Å
197L25.7Very low29Very low152 Ų152150.7 Ų150.780%0.79682%0.822SS**  trans-68.7100.6176.6-143.792.8000107.8F195 E199F195-L197 PolarHBondContact O-N 3.3Å; F195-L197 VanDerWaalsContact O-N 3.17Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.28Å
198C28.4Very low29.2Very low133 Ų133153.8 Ų153.890%0.89982%0.824SS**  trans-7291.7171.6-77.80000109.7E196E196-C198 PolarHBondContact O-N 3.33Å; E196-C198 VanDerWaalsContact O-N 3.16Å
199E26.8Very low29.1Very low184 Ų184156.4 Ų156.486%0.8682%0.824SS**  trans-80.7130.3167.3-148.3176.2-16500109L197L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.28Å
200G27.3Very low29Very low74 Ų74155.3 Ų155.376%0.76382%0.819SS**  trans117.9139.1171.100000113.4
201S28.5Very low29Very low101 Ų101157.4 Ų157.471%0.70682%0.822SS**  cis-161.4131.815.1169.90000107.2R203S201-R203 PolarHBondContact O-N 3.31Å
202D29.3Very low28.8Very low168 Ų168157.2 Ų157.290%0.89882%0.821SS**  trans-55.4102169.1-70.8-51.5000111.1
203R33Very low28.7Very low222 Ų222157.4 Ų157.484%0.83882%0.821SS**  trans-144.1102.3159.9-74.9-163.1177.5-139-1.7111S201S201-R203 PolarHBondContact O-N 3.31Å
204S27.9Very low28.7Very low120 Ų120154 Ų15484%0.83982%0.815SS**  trans34.1120.7136.870.20000118.6
205G28.2Very low28.7Very low68 Ų68153.8 Ų153.870%0.70181%0.814SS**  trans110.398148.600000112.6D207G205-D207 PolarHBondContact O-N 3.41Å
206N26.2Very low28.7Very low157 Ų157151.7 Ų151.784%0.8481%0.811SS**  trans18.490.3138.6-58.9-15000114.5
207D31.3Very low28.7Very low154 Ų154149.9 Ų149.982%0.82481%0.807SS**  -165142.8118-85.1-31000106.7G205 Q209G205-D207 PolarHBondContact O-N 3.41Å; D207-Q209 PolarHBondContact O-N 3.13Å
208H29.5Very low28.8Very low189 Ų189151.5 Ų151.588%0.87581%0.808SS**  trans-60.986.5171.8-72.6-71.2000108.3E210H208-E210 PolarHBondContact O-N 3.36Å
209Q28.4Very low28.8Very low167 Ų167150.7 Ų150.778%0.7880%0.801SS**  trans-7085.1160.9-166.6111.252.800105D207 F211D207-Q209 PolarHBondContact O-N 3.13Å; Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.08Å
210E26.1Very low28.8Very low163 Ų163148.5 Ų148.576%0.76280%0.795SS**  trans-51110.2157-69.4-177.5169.800105.4H208 E212H208-E210 PolarHBondContact O-N 3.36Å; E210-E212 PolarHBondContact O-N 3.29Å
211F29.8Very low28.9Very low190 Ų190150.1 Ų150.183%0.83379%0.792SS**  trans-6286.5160.6-79.8-94.6000105.3Q209 C213Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-F211 PolarHBondContact O-N 3.08Å; F211-C213 PolarHBondContact O-N 3.26Å
212E27.3Very low28.8Very low175 Ų175151 Ų15182%0.81880%0.797SS**  trans-53.9101.5153.9-89.7-169.9142.900104.4E210 E214E210-E212 PolarHBondContact O-N 3.29Å; E212-E214 PolarHBondContact O-N 3.13Å
213C26.3Very low28.7Very low112 Ų112150.1 Ų150.176%0.75779%0.791SS**  trans-58.396.5162.9-69.60000104.6F211 N215F211-C213 PolarHBondContact O-N 3.26Å; C213-N215 PolarHBondContact O-N 2.92Å
214E30.2Very low28.6Very low167 Ų167148.3 Ų148.378%0.7879%0.79SS**  trans-46.3111.1167.7-84.3-175.4137.700105.5E212 L216E212-E214 PolarHBondContact O-N 3.13Å; E214-L216 PolarHBondContact O-N 3.43Å
215N29.9Very low28.5Very low139 Ų139148.8 Ų148.874%0.74379%0.793SS**  trans-57.895.5175.6-90.3-68000106.8C213 L217C213-N215 PolarHBondContact O-N 2.92Å; N215-L217 PolarHBondContact O-N 3.15Å
216L31.6Very low28.4Very low163 Ų163149.3 Ų149.385%0.85379%0.786SS**  trans-64.11.4171.4-104.189.4000112.5E214 K218E214-L216 PolarHBondContact O-N 3.43Å; L216-K218 PolarHBondContact O-N 3.2Å; L216-K218 VanDerWaalsContact O-N 3.1Å
217L30.9Very low28.4Very low149 Ų149147.8 Ų147.878%0.7878%0.782SS**  trans-85.466.4166.7-69.6158.8000109.2N215 P219N215-L217 PolarHBondContact O-N 3.15Å; L217-P219 WeakPolarHBondContact O-CD 3.19Å
218K27.4Very low28.1Very low187 Ų187144.7 Ų144.781%0.81377%0.771SS**  trans-62.3114156.1-132.8174.2-172.51730105.5L216 D220L216-K218 PolarHBondContact O-N 3.2Å; L216-K218 VanDerWaalsContact O-N 3.1Å; K218-D220 PolarHBondContact O-N 3.05Å
219P28.1Very low27.9Very low116 Ų116140.8 Ų140.875%0.75377%0.765SS**  trans-68.7107.7172.927.5-29.6000106.5L217L217-P219 WeakPolarHBondContact O-CD 3.19Å
220D27.2Very low28Very low138 Ų138143.2 Ų143.274%0.73877%0.769SS**  trans-55.2125.8169.7-94.4-27.4000108.1K218 C222K218-D220 PolarHBondContact O-N 3.05Å; D220-C222 PolarHBondContact O-N 3.23Å
221P29.1Very low28.2Very low108 Ų108139.7 Ų139.770%0.70176%0.762SS**  trans-69.296.1-176.227-31.8000108.2L223P221-L223 PolarHBondContact O-N 3.13Å
222C27Very low28.5Very low119 Ų119135.3 Ų135.380%0.80476%0.761SS**  trans-68.289.4169.8-68.20000108.3D220 F224D220-C222 PolarHBondContact O-N 3.23Å; C222-F224 PolarHBondContact O-N 2.9Å
223L28.2Very low28.5Very low149 Ų149137.4 Ų137.478%0.7876%0.762SS**  trans-62.371.9164.6-74.7167.9000110P221P221-L223 PolarHBondContact O-N 3.13Å
224F29.8Very low28.7Very low184 Ų184137.4 Ų137.481%0.80776%0.761SS**  trans-138.985.9159.1-74.4-71000109.6C222 S226C222-F224 PolarHBondContact O-N 2.9Å; F224-S226 PolarHBondContact O-N 2.76Å
225S25.2Very low28.8Very low130 Ų130135 Ų13591%0.90976%0.76SS**  trans-65.663.9151.9-1680000108.8
226S27.1Very low28.9Very low79 Ų79133 Ų13355%0.55276%0.757SS**  trans-106.4100.3152.863.70000104.5F224 C228F224-S226 PolarHBondContact O-N 2.76Å; S226-C228 PolarHBondContact O-N 2.86Å
227V26.8Very low29.1Very low125 Ų125132.2 Ų132.276%0.75875%0.752SS**  trans-47.196.8162177.70000106.1S229V227-S229 PolarHBondContact O-N 2.72Å
228C25.1Very low29.4Very low89 Ų89133.1 Ų133.160%0.60175%0.752SS**  trans-58.7101.4164.6-89.70000104S226 Y230S226-C228 PolarHBondContact O-N 2.86Å; C228-Y230 HydrophobicContact CB-CE2 4.44Å; C228-Y230 VanDerWaalsContact O-CD2 3.3Å; C228-Y230 WeakPolarHBondContact O-CD2 3.47Å; C228-Y230 PolarHBondContact O-N 2.8Å
229S25.4Very low30.1Very low107 Ų107129.5 Ų129.575%0.74875%0.746SS**  trans-61.993167.9-66.20000104.6V227 S231V227-S229 PolarHBondContact O-N 2.72Å; S229-S231 PolarHBondContact O-N 3.1Å
230Y28.9Very low30.6Very low219 Ų219132 Ų13286%0.85975%0.752SS**  trans-58.597.5166.8-74.2-86.6000105.3C228 A232C228-Y230 HydrophobicContact CB-CE2 4.44Å; C228-Y230 VanDerWaalsContact O-CD2 3.3Å; C228-Y230 WeakPolarHBondContact O-CD2 3.47Å; C228-Y230 PolarHBondContact O-N 2.8Å; Y230-A232 PolarHBondContact O-N 2.79Å
231S30Very low31.1Very low89 Ų89133.2 Ų133.262%0.62275%0.753SS**  trans-57.2114164.6-175.20000104.6S229 R233S229-S231 PolarHBondContact O-N 3.1Å; S231-R233 PolarHBondContact O-N 2.93Å
232A36.4Very low31.8Very low97 Ų97131.9 Ų131.980%0.80275%0.751SS**  trans-67.640.517400000111.5Y230 C234Y230-A232 PolarHBondContact O-N 2.79Å; A232-C234 PolarHBondContact O-N 2.96Å
233R28.6Very low32.4Very low220 Ų220132.7 Ų132.783%0.8375%0.748SS**  trans-69.678.6156.8-81-172.9173.9-172.4-0.8106.2S231 P235S231-R233 PolarHBondContact O-N 2.93Å; R233-P235 VanDerWaalsContact O-N 3.14Å
234C29.8Very low33.2Very low111 Ų111133.5 Ų133.575%0.7575%0.751SS**  trans-43.2123157.7-81.50000106.9A232 S236A232-C234 PolarHBondContact O-N 2.96Å; C234-S236 PolarHBondContact O-N 3.2Å
235P33.4Very low33.7Very low117 Ų117128.1 Ų128.176%0.7674%0.737SS**  trans-54.2122.8171.221-29.3000106.3R233 I237R233-P235 VanDerWaalsContact O-N 3.14Å; P235-I237 PolarHBondContact O-N 2.77Å
236S31.5Very low34.4Very low96 Ų96130.9 Ų130.967%0.67174%0.736SS**  trans-56.2104.6178.4590000106.8C234 Q238C234-S236 PolarHBondContact O-N 3.2Å; S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact O-N 2.66Å
237I34.4Very low35.3Very low147 Ų147134.6 Ų134.675%0.75474%0.744SS**  trans-60.7106.5163.3-63.5168.9000102.7P235 V239P235-I237 PolarHBondContact O-N 2.77Å; I237-V239 PolarHBondContact O-N 2.87Å
238Q38.3Very low35.9Very low168 Ų168135.7 Ų135.779%0.78575%0.746SS**  trans-61.693.5167.4-65.1-179.87.100104S236 L240S236-Q238 VanDerWaalsContact C-N 3.27Å; S236-Q238 PolarHBondContact O-N 2.66Å; Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 2.77Å
239V40.9Very low36.8Very low111 Ų111137.3 Ų137.367%0.67375%0.747SS**  trans-59.4105.7168.8175.70000103I237 E241I237-V239 PolarHBondContact O-N 2.87Å; V239-E241 HydrophobicContact CG1-CG 4.49Å; V239-E241 PolarHBondContact O-N 3.2Å
240L39Very low37.7Very low168 Ų168138.1 Ų138.188%0.8874%0.743SS**  trans-5690.3163.2-87139.3000105Q238 A242Q238-L240 VanDerWaalsContact C-N 3.28Å; Q238-L240 PolarHBondContact O-N 2.77Å; L240-A242 PolarHBondContact O-N 3.41Å
241E38.1Very low38.3Very low165 Ų165137.5 Ų137.577%0.77174%0.739SS**  trans-60.999.2165.5-69.9-169.5164.900104.3V239 D243V239-E241 HydrophobicContact CG1-CG 4.49Å; V239-E241 PolarHBondContact O-N 3.2Å; E241-D243 PolarHBondContact O-N 3.34Å
242A43.5Very low39Very low79 Ų79138 Ų13865%0.65374%0.735SS**  trans-59115.1166.600000105.4L240 L244L240-A242 PolarHBondContact O-N 3.41Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 2.98Å
243D40.9Very low39.5Very low137 Ų137138.8 Ų138.873%0.73374%0.735SS**  trans-51.496.1173.5-104.2-32.8000108.6E241 S245E241-D243 PolarHBondContact O-N 3.34Å; D243-S245 PolarHBondContact O-N 3.22Å
244L43.7Very low40.2Very low165 Ų165134.1 Ų134.186%0.86473%0.726SS**  trans-84.316.3173.6-73.8172.2000111.1A242 Q246A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 2.98Å; L244-Q246 PolarHBondContact O-N 3.41Å
245S40.3Very low40.8Very low72 Ų72138.5 Ų138.550%0.50373%0.729SS.*  trans-75.453.5164.867.50000110.8D243 E247D243-S245 PolarHBondContact O-N 3.22Å; S245-E247 PolarHBondContact O-N 3.3Å; S245-E247 VanDerWaalsContact O-N 3.07Å
246Q41.2Very low41.3Very low188 Ų188138 Ų13888%0.87973%0.725SS**  trans-79.665.9145.1-73.3-1733.300106.3L244 N248L244-Q246 PolarHBondContact O-N 3.41Å; Q246-N248 PolarHBondContact O-N 3.38Å; Q246-N248 VanDerWaalsContact O-N 3.11Å
247E45.8Very low41.9Very low156 Ų156138.8 Ų138.873%0.72973%0.728SS**  trans-55.7116.6164.656-164.9177.900106.9S245 I249S245-E247 PolarHBondContact O-N 3.3Å; S245-E247 VanDerWaalsContact O-N 3.07Å; E247-I249 PolarHBondContact O-N 3.26Å
248N39.4Very low42.2Very low149 Ų149137.1 Ų137.180%0.79773%0.727SS**  trans-10.288.5164-168.330.3000112.1Q246 N250Q246-N248 PolarHBondContact O-N 3.38Å; Q246-N248 VanDerWaalsContact O-N 3.11Å; N248-N250 PolarHBondContact O-N 3.44Å
249I44.2Very low42.4Very low122 Ų122135 Ų13563%0.62673%0.727SS**  trans-62.895.2169.1-61.2174000103.6E247 W251E247-I249 PolarHBondContact O-N 3.26Å; I249-W251 HydrophobicContact CG2-CD2 4.47Å; I249-W251 VanDerWaalsContact O-CD1 3.25Å; I249-W251 PolarHBondContact O-N 2.77Å
250N42.7Very low42.2Very low124 Ų124135.3 Ų135.366%0.66373%0.734SS**  trans-60.799.6168.1-176.922.5000104.1N248 D252N248-N250 PolarHBondContact O-N 3.44Å; N250-D252 PolarHBondContact O-N 2.89Å
251W43.2Very low42.2Very low207 Ų207135 Ų13578%0.78473%0.733SS**  trans-62.194.2171.2-66.493.6000105.4I249 S253I249-W251 HydrophobicContact CG2-CD2 4.47Å; I249-W251 VanDerWaalsContact O-CD1 3.25Å; I249-W251 PolarHBondContact O-N 2.77Å; W251-S253 VanDerWaalsContact C-N 3.35Å; W251-S253 PolarHBondContact O-N 2.84Å; W251-S253 PolarHBondContact O-OG 2.94Å
252D43.4Very low42.2Very low98 Ų98131 Ų13152%0.52473%0.728SS.*  trans-56.6106.3-178.8-158.822.3000105.7N250 N254N250-D252 PolarHBondContact O-N 2.89Å; D252-N254 PolarHBondContact O-N 2.73Å; D252-N254 PolarHBondContact OD1-ND2 2.78Å; D252-N254 PolarHBondContact OD2-ND2 3Å
253S47.7Very low41.7Very low115 Ų115132.7 Ų132.780%0.80473%0.732SS**THydrogen-bonded Turntrans-73.521.3-172.5-65.80000111.5W251 Y255W251-S253 VanDerWaalsContact C-N 3.35Å; W251-S253 PolarHBondContact O-N 2.84Å; W251-S253 PolarHBondContact O-OG 2.94Å; S253-Y255 VanDerWaalsContact C-N 3.28Å
254N43.9Very low41.5Very low121 Ų121132.2 Ų132.265%0.64774%0.737SS**THydrogen-bonded Turntrans-87.312177.4-67.9-34000112.7D252 P256D252-N254 PolarHBondContact O-N 2.73Å; D252-N254 PolarHBondContact OD1-ND2 2.78Å; D252-N254 PolarHBondContact OD2-ND2 3Å; N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.25Å
255Y41.1Very low41Very low204 Ų204129.2 Ų129.280%0.873%0.73SS**SBendtrans-65.2117.5162.8-87.3-83.3000108S253S253-Y255 VanDerWaalsContact C-N 3.28Å
256P44.8Very low40.5Very low106 Ų106129.6 Ų129.669%0.68874%0.744SS**PPolyproline II helixtrans-57.1133.1176.823.2-31.3000107.7N254N254-P256 VanDerWaalsContact O-CD 3.25Å; N254-P256 WeakPolarHBondContact O-CD 3.25Å
257P44.5Very low40.1Very low112 Ų112126.9 Ų126.973%0.72774%0.74SS**PPolyproline II helixtrans-53.1140.1176.121-30.7000108.5
258P39.5Very low39.4Very low113 Ų113124.4 Ų124.473%0.73474%0.74SS**PPolyproline II helixtrans-52141179.821.7-31.9000108.9S260P258-S260 PolarHBondContact O-N 3.11Å
259P42.1Very low39Very low123 Ų123126 Ų12680%0.79975%0.748SS**PPolyproline II helixtrans-50.3117.2-175.317.4-29.5000108.7L261P259-L261 PolarHBondContact O-N 3.14Å
260S37.6Very low38.5Very low117 Ų117125 Ų12582%0.81875%0.748SS**  trans-52.7108.8175.9-178.20000106.9P258 A262P258-S260 PolarHBondContact O-N 3.11Å; S260-A262 PolarHBondContact O-N 2.87Å
261L38.5Very low37.9Very low163 Ų163126.8 Ų126.885%0.85376%0.757SS**PPolyproline II helixtrans-53.4119.1173.8-85155.7000106.5P259P259-L261 PolarHBondContact O-N 3.14Å
262A37.4Very low37.4Very low81 Ų81124.1 Ų124.167%0.66975%0.754SS**PPolyproline II helixtrans-49.2132.8178.500000108.6S260 P264S260-A262 PolarHBondContact O-N 2.87Å; A262-P264 VanDerWaalsContact O-N 3.15Å
263P33.8Very low36.7Very low114 Ų114124 Ų12474%0.7476%0.761SS**PPolyproline II helixtrans-53.3126.3-177.719.4-30.4000108.3S265P263-S265 PolarHBondContact O-N 3.46Å
264P35.9Very low35.9Very low127 Ų127128.8 Ų128.883%0.82576%0.762SS**  trans-56.6115.7-175.719.4-29.8000108.5A262 G266A262-P264 VanDerWaalsContact O-N 3.15Å; P264-G266 PolarHBondContact O-N 2.74Å
265S33.9Very low35.4Very low102 Ų102127.8 Ų127.871%0.71376%0.764SS**  trans-59.1100.8178.5530000109.2P263 V267P263-S265 PolarHBondContact O-N 3.46Å; S265-V267 PolarHBondContact O-N 3.14Å
266G29.7Very low35.1Very low79 Ų79128 Ų12881%0.81477%0.765SS**SBendtrans49.820.8139.600000119.9P264P264-G266 PolarHBondContact O-N 2.74Å
267V32.3Very low34.4Very low131 Ų131128.4 Ų128.479%0.79477%0.771SS**  trans-98.7105.4173.2-77.70000109.5S265S265-V267 PolarHBondContact O-N 3.14Å
268S32.2Very low33.8Very low104 Ų104130.2 Ų130.273%0.72777%0.773SS**  trans-33.9133.7175.4-61.40000112.9T270S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-OG1 3.26Å
269L31.5Very low33.5Very low184 Ų184130.4 Ų130.496%0.96377%0.774SS**  trans-51.574.1166.2-72.7156.9000110.6L271L269-L271 PolarHBondContact O-N 2.77Å
270T32.2Very low32.9Very low101 Ų101129.6 Ų129.662%0.6277%0.772SS**  trans-86.798.9162.2-28.20000103.3S268 M272S268-T270 PolarHBondContact O-N 2.84Å; S268-T270 PolarHBondContact O-OG1 3.26Å; T270-M272 HydrophobicContact CG2-CG 3.97Å; T270-M272 HydrophobicContact CG2-SD 3.94Å; T270-M272 PolarHBondContact O-N 3.47Å
271L31.5Very low32.9Very low161 Ų161130 Ų13084%0.84377%0.771SS**  trans-60.564.3167.6-145.1158000107.3L269 S273L269-L271 PolarHBondContact O-N 2.77Å; L271-S273 PolarHBondContact O-N 3.48Å
272M31.6Very low32.5Very low150 Ų150129.2 Ų129.274%0.73977%0.768SS**  trans-78.989.1173-85.2156.772.300104.6T270 R274T270-M272 HydrophobicContact CG2-CG 3.97Å; T270-M272 HydrophobicContact CG2-SD 3.94Å; T270-M272 PolarHBondContact O-N 3.47Å; M272-R274 VanDerWaalsContact C-N 3.25Å; M272-R274 PolarHBondContact O-N 3.24Å
273S30Very low32.1Very low95 Ų95131.2 Ų131.266%0.66477%0.767SS**  trans-23.589.5153.5-52.40000110.1L271 S275L271-S273 PolarHBondContact O-N 3.48Å; S273-S275 PolarHBondContact O-N 3.13Å; S273-S275 PolarHBondContact O-OG 3.29Å
274R30.6Very low32.2Very low216 Ų216131.5 Ų131.582%0.81576%0.762SS**  trans-74.686.2164.5-85.4-171.2175.9-159.5-0.2105M272 Y276M272-R274 VanDerWaalsContact C-N 3.25Å; M272-R274 PolarHBondContact O-N 3.24Å; R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 WeakPolarHBondContact O-CD2 3.29Å; R274-Y276 PolarHBondContact O-N 3.1Å
275S32.4Very low31.8Very low101 Ų101132.2 Ų132.271%0.70676%0.759SS**  trans-52.598.2162.2-400000106.5S273 S277S273-S275 PolarHBondContact O-N 3.13Å; S273-S275 PolarHBondContact O-OG 3.29Å; S275-S277 PolarHBondContact O-N 2.98Å
276Y34.7Very low31.8Very low208 Ų208133.2 Ų133.282%0.81676%0.761SS**  trans-64.2108.8164.9-70.9-83.8000105.9R274 L278R274-Y276 VanDerWaalsContact C-N 3.29Å; R274-Y276 WeakPolarHBondContact O-CD2 3.29Å; R274-Y276 PolarHBondContact O-N 3.1Å; Y276-L278 PolarHBondContact O-N 3.43Å
277S31.2Very low31.9Very low115 Ų115136.4 Ų136.480%0.80476%0.76SS**  trans-63.1103.2171.4-57.40000107.7S275S275-S277 PolarHBondContact O-N 2.98Å
278L31.1Very low32.1Very low150 Ų150139.3 Ų139.379%0.78577%0.765SS**PPolyproline II helixtrans-59.3137.1168.2-137.476.7000107.7Y276 S280Y276-L278 PolarHBondContact O-N 3.43Å; L278-S280 PolarHBondContact O-N 3.04Å; L278-S280 VanDerWaalsContact O-N 3.13Å
279P33Very low31.9Very low116 Ų116137.6 Ų137.675%0.75376%0.763SS**PPolyproline II helixtrans-55.4123.3176.8-19.930.5000109.1
280S30.6Very low31.8Very low107 Ų107133.6 Ų133.675%0.74875%0.751SS**PPolyproline II helixtrans-58.4135.7177.4-56.50000109.5L278 L282L278-S280 PolarHBondContact O-N 3.04Å; L278-S280 VanDerWaalsContact O-N 3.13Å; S280-L282 PolarHBondContact O-N 3.3Å
281P36.1Very low31.5Very low124 Ų124135.9 Ų135.981%0.80576%0.759SS**  trans-63.1114.6178.524.8-30.6000108N283P281-N283 VanDerWaalsContact C-N 3.27Å; P281-N283 PolarHBondContact O-N 3.42Å
282L31.5Very low31.6Very low148 Ų148135.5 Ų135.578%0.77576%0.756SS**  trans-67.994.2175.2-163.377.8000107.5S280 N284S280-L282 PolarHBondContact O-N 3.3Å; L282-N284 VanDerWaalsContact C-N 3.27Å; L282-N284 PolarHBondContact O-N 3.22Å
283N28.9Very low31.5Very low123 Ų123136.9 Ų136.966%0.65877%0.766SS**  trans-69.682.8172.4179.618.2000108.9P281 N285P281-N283 VanDerWaalsContact C-N 3.27Å; P281-N283 PolarHBondContact O-N 3.42Å; N283-N285 PolarHBondContact OD1-ND2 2.78Å
284N34.7Very low31.6Very low119 Ų119137.6 Ų137.664%0.63677%0.771SS**  trans-105.781.6163.9-70.3-7.8000107.4L282 T286L282-N284 VanDerWaalsContact C-N 3.27Å; L282-N284 PolarHBondContact O-N 3.22Å; N284-T286 PolarHBondContact O-N 2.9Å
285N28.8Very low31.6Very low142 Ų142130.3 Ų130.376%0.75976%0.763SS**  trans-63.293.9151-68.9-32.3000106.7N283N283-N285 PolarHBondContact OD1-ND2 2.78Å
286T33Very low31.4Very low124 Ų124132.1 Ų132.176%0.76177%0.77SS**  trans-139.9122.9157.3-510000107.2N284N284-T286 PolarHBondContact O-N 2.9Å
287D32.8Very low31.3Very low146 Ų146127.7 Ų127.778%0.78176%0.764SS**  trans-48.5158.2-173.9-60.7-64.9000115.1
288E34.7Very low31.5Very low192 Ų192126.7 Ų126.790%0.89776%0.762SS**  trans80.8101.6160-59.3-170.5163.500119.1
289G28.8Very low31.6Very low68 Ų68130.4 Ų130.470%0.70177%0.768SS**  69.690.311000000119.1
290S29Very low31.9Very low100 Ų100133.1 Ų133.170%0.69978%0.775SS**  trans75.9118.3134.472.40000120.5
291N27.3Very low32.2Very low148 Ų148136.7 Ų136.779%0.79178%0.78SS**  trans67122.4146.6-46.6-33000115.6
292I33Very low32.5Very low153 Ų153139.6 Ų139.679%0.78578%0.783SS**  -162.2121.259.8-62.2136.9000107S294I292-S294 PolarHBondContact O-N 2.79Å; I292-S294 VanDerWaalsContact O-N 3.15Å
293L30.1Very low33Very low179 Ų179138.7 Ų138.794%0.93778%0.783SS**  trans-67.2106.5168.9-82.399.3000109.6
294S30.9Very low33.5Very low111 Ų111139.9 Ų139.978%0.77679%0.789SS**  trans-99.678158.9-76.80000108.8I292I292-S294 PolarHBondContact O-N 2.79Å; I292-S294 VanDerWaalsContact O-N 3.15Å
295G30.2Very low34Very low62 Ų62141.4 Ų141.464%0.63980%0.796SS**  trans-91.295.3170.300000109.7V297G295-V297 PolarHBondContact O-N 2.8Å; G295-V297 VanDerWaalsContact O-N 3.11Å
296T29.2Very low34.7Very low139 Ų139143.2 Ų143.285%0.85380%0.797SS**  trans-70.799174.6-460000109.1A298T296-A298 PolarHBondContact O-N 3.01Å
297V33.4Very low35.2Very low116 Ų116143.3 Ų143.370%0.70380%0.8SS**PPolyproline II helixtrans-80.1116174.6-1790000108.2G295 Y299G295-V297 PolarHBondContact O-N 2.8Å; G295-V297 VanDerWaalsContact O-N 3.11Å; V297-Y299 PolarHBondContact O-N 2.96Å
298A34.1Very low35.6Very low93 Ų93144.6 Ų144.677%0.76981%0.806SS**PPolyproline II helixtrans-68.8121.3175.400000110.1T296T296-A298 PolarHBondContact O-N 3.01Å
299Y33.5Very low36.2Very low229 Ų229139.4 Ų139.490%0.89880%0.796SS**PPolyproline II helixtrans-71.6127.3175.9-74.4-97.5000109.9V297 E301V297-Y299 PolarHBondContact O-N 2.96Å; Y299-E301 PolarHBondContact O-N 3.43Å
300L38.4Very low36.9Very low173 Ų173141.6 Ų141.691%0.90680%0.798SS**PPolyproline II helixtrans-68.8122.6166.8-95.5156.5000108.7E302L300-E302 PolarHBondContact O-N 3.19Å
301E38.7Very low37.8Very low181 Ų181144 Ų14485%0.84680%0.801SS**PPolyproline II helixtrans-61118.2-179.7-166.6167.2-175.800111Y299 V303Y299-E301 PolarHBondContact O-N 3.43Å; E301-V303 PolarHBondContact O-N 2.96Å; E301-V303 VanDerWaalsContact O-N 3.1Å
302E40.6Very low38.4Very low186 Ų186142.7 Ų142.787%0.86980%0.799SS**  trans-67.7104.3178.5-76.7176.8155.100110.2L300 N304L300-E302 PolarHBondContact O-N 3.19Å; E302-N304 PolarHBondContact O-N 2.7Å
303V43.1Very low38.6Very low129 Ų129142 Ų14278%0.78280%0.796SS**  trans-65.1100.5173179.20000108.9E301 I305E301-V303 PolarHBondContact O-N 2.96Å; E301-V303 VanDerWaalsContact O-N 3.1Å; V303-I305 WeakPolarHBondContact O-CG1 3.3Å; V303-I305 PolarHBondContact O-N 3.12Å
304N39.5Very low39.3Very low147 Ų147140.3 Ų140.379%0.78679%0.787SS**  trans-73.593-179.8-163-34.5000110.3E302 K306E302-N304 PolarHBondContact O-N 2.7Å; N304-K306 PolarHBondContact O-N 3.26Å
305I44Very low39.7Very low151 Ų151142 Ų14277%0.77479%0.787SS**  trans-76.1102.4179.1-26173.2000108.2V303V303-I305 WeakPolarHBondContact O-CG1 3.3Å; V303-I305 PolarHBondContact O-N 3.12Å
306K44.2Very low40.4Very low181 Ų181144.8 Ų144.879%0.78779%0.793SS**PPolyproline II helixtrans-63.3138.6173.6-103.2175.6176.1173.20110.4N304 L308N304-K306 PolarHBondContact O-N 3.26Å; K306-L308 PolarHBondContact O-N 3.4Å
307P43.9Very low40.9Very low125 Ų125145.5 Ų145.581%0.81279%0.792SS**PPolyproline II helixtrans-64.1130176.924.4-31.1000110.4A309P307-A309 PolarHBondContact O-N 2.93Å
308L41.8Very low41Very low173 Ų173144 Ų14491%0.90680%0.8SS**PPolyproline II helixtrans-59.3133.9175.4-69.9162.4000109.7K306K306-L308 PolarHBondContact O-N 3.4Å
309A46.3Very low41.1Very low84 Ų84142 Ų14269%0.69479%0.788SS**PPolyproline II helixtrans-62.314017700000110.5P307 I311P307-A309 PolarHBondContact O-N 2.93Å; A309-I311 PolarHBondContact O-N 2.87Å
310P43.1Very low41.6Very low114 Ų114135.7 Ų135.774%0.7478%0.778SS**PPolyproline II helixtrans-62.7128.9179.922.9-31000110.8T312P310-T312 PolarHBondContact O-N 2.81Å
311I48.3Very low41.9Very low150 Ų150136.9 Ų136.977%0.76978%0.776SS**  trans-71111.4178.8-59.7170.1000108.1A309A309-I311 PolarHBondContact O-N 2.87Å
312T40.3Very low42.1Very low121 Ų121134.6 Ų134.674%0.74277%0.768SS**  trans-92.512.3-172.654.70000115.5P310P310-T312 PolarHBondContact O-N 2.81Å
313N37.8Very low42.3Very low138 Ų138135.7 Ų135.774%0.73876%0.764SS**  trans-119.434.3-168-70.5-12.7000115.3L315N313-L315 PolarHBondContact O-N 2.76Å
314I45Very low42.1Very low143 Ų143140.7 Ų140.773%0.73377%0.769SS**  trans-90.191.7170-49.7177.4000107.9
315L38.8Very low42.4Very low148 Ų148139.3 Ų139.378%0.77576%0.758SS**  trans-64.7127.2169.2-71.7167.7000108.4N313 N317N313-L315 PolarHBondContact O-N 2.76Å; L315-N317 PolarHBondContact O-N 2.74Å
316P44.9Very low42.4Very low119 Ų119135 Ų13577%0.77374%0.74SS**  trans-7194.9178.627.6-32000108.6G318P316-G318 PolarHBondContact O-N 2.86Å; P316-G318 VanDerWaalsContact O-N 3.08Å
317N39.1Very low42.8Very low155 Ų155136.9 Ų136.983%0.82975%0.748SS**  trans-58.2117.3166-79.9-31.1000107.2L315 G319L315-N317 PolarHBondContact O-N 2.74Å; N317-G319 PolarHBondContact O-N 2.85Å
318G35.8Very low43Very low84 Ų84140.9 Ų140.987%0.86675%0.746SS**  trans-65.464-175.200000113.6P316 S320P316-G318 PolarHBondContact O-N 2.86Å; P316-G318 VanDerWaalsContact O-N 3.08Å; G318-S320 PolarHBondContact O-N 3.16Å
319G36.3Very low43.1Very low50 Ų50134.2 Ų134.252%0.51572%0.717SS.*  trans-65.7119.8169.500000108.5N317 F321N317-G319 PolarHBondContact O-N 2.85Å; G319-F321 PolarHBondContact O-N 3.13Å
320S43.1Very low42.7Very low98 Ų98136 Ų13669%0.68572%0.719SS**  trans-52.5115.2169.245.80000108.7G318 I322G318-S320 PolarHBondContact O-N 3.16Å; S320-I322 PolarHBondContact O-N 3.13Å
321F45.5Very low42.6Very low197 Ų197134.9 Ų134.986%0.86471%0.714SS**  trans-67.183.2177.3-64.2-86.7000109.2G319 R323G319-F321 PolarHBondContact O-N 3.13Å; F321-R323 PolarHBondContact O-N 3.43Å
322I42.4Very low42Very low134 Ų134133 Ų13369%0.68771%0.713SS**  trans-72.489.6168.9-58.1172.9000105.8S320 R324S320-I322 PolarHBondContact O-N 3.13Å; I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 HydrophobicContact CG2-CG 4.37Å; I322-R324 PolarHBondContact O-N 3.35Å
323R45Very low41.8Very low209 Ų209132.5 Ų132.579%0.78971%0.714SS**  trans-58.699.2165.7-88.9-172.6173.2-176-1107.8F321 H325F321-R323 PolarHBondContact O-N 3.43Å; R323-H325 PolarHBondContact O-CD2 2.86Å; R323-H325 PolarHBondContact O-N 3.05Å
324R39.8Very low41.7Very low234 Ų234130.4 Ų130.488%0.88371%0.71SS**  trans-72.198.3166.4-70-173.3172-176.9-1.3107.1I322I322-R324 VanDerWaalsContact C-N 3.33Å; I322-R324 HydrophobicContact CG2-CG 4.37Å; I322-R324 PolarHBondContact O-N 3.35Å
325H45.6Very low41.1Very low118 Ų118131.2 Ų131.255%0.54672%0.716SS.*  trans-62.4140172.4-77.4-89.9000109.5R323 K327 A329R323-H325 PolarHBondContact O-CD2 2.86Å; R323-H325 PolarHBondContact O-N 3.05Å; H325-K327 PolarHBondContact O-N 2.81Å; H325-A329 HydrophobicContact CB-CB 4.32Å
326P43Very low40.9Very low61 Ų61129.5 Ų129.540%0.39671%0.711SS.*  trans-54.5141.8173.4-20.630000110.1W328 A329P326-W328 HydrophobicContact CB-CD2 4.06Å; P326-W328 HydrophobicContact CB-CG 4.28Å; P326-W328 HydrophobicContact CB-CZ2 3.88Å; P326-W328 HydrophobicContact CG-CZ2 3.93Å; P326-W328 PolarHBondContact O-N 2.91Å; P326-A329 WeakPolarHBondContact O-CB 3.42Å; P326-A329 PolarHBondContact O-N 2.81Å
327K53.9Low40.4Very low220 Ų220131 Ų13196%0.95771%0.712SS**THydrogen-bonded Turntrans-54.4-21.4-177.3-83.2-177167.81800115.1H325H325-K327 PolarHBondContact O-N 2.81Å
328W46.8Very low40Very low208 Ų208133.8 Ų133.879%0.78871%0.711SS**THydrogen-bonded Turntrans-90.4-8.8178.653.5-101.5000113.7P326 V330P326-W328 HydrophobicContact CB-CD2 4.06Å; P326-W328 HydrophobicContact CB-CG 4.28Å; P326-W328 HydrophobicContact CB-CZ2 3.88Å; P326-W328 HydrophobicContact CG-CZ2 3.93Å; P326-W328 PolarHBondContact O-N 2.91Å; W328-V330 PolarHBondContact O-N 2.86Å
329A44Very low39.7Very low34 Ų34134.7 Ų134.728%0.28170%0.703SS.*  trans-75.174.2172.700000108.6H325 P326 S331H325-A329 HydrophobicContact CB-CB 4.32Å; P326-A329 WeakPolarHBondContact O-CB 3.42Å; P326-A329 PolarHBondContact O-N 2.81Å; A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 3.46Å
330V37.6Very low39.4Very low121 Ų121140.3 Ų140.373%0.73372%0.716SS**  trans-63.8104.1163.2179.60000105.2W328 C332W328-V330 PolarHBondContact O-N 2.86Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 3Å
331S41Very low38.9Very low91 Ų91141 Ų14164%0.63672%0.716SS**  trans-66.3103167.2-62.40000105.5A329 S333A329-S331 VanDerWaalsContact C-N 3.35Å; A329-S331 PolarHBondContact O-N 3.46Å; S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 PolarHBondContact O-N 3.29Å
332C36.9Very low38Very low111 Ų111137.9 Ų137.975%0.7571%0.714SS**  trans-60.6100.7165.4-75.10000106.1V330 S334V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 3Å; C332-S334 PolarHBondContact O-N 3.03Å
333S35.6Very low37.5Very low109 Ų109136.7 Ų136.776%0.76271%0.712SS**  trans-65.179.3163.3-550000106.8S331 D335S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 PolarHBondContact O-N 3.29Å; S333-D335 PolarHBondContact O-N 2.83Å; S333-D335 VanDerWaalsContact O-N 3.1Å
334S35.8Very low36.6Very low94 Ų94137.4 Ų137.466%0.65772%0.715SS**  trans-65.3105.4159.746.50000105.6C332 T336C332-S334 PolarHBondContact O-N 3.03Å; S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.04Å; S334-T336 PolarHBondContact O-OG1 3.01Å
335D32.3Very low36.1Very low161 Ų161135.7 Ų135.786%0.86171%0.714SS**  trans-45.596.2164.6-78.2-44.6000109S333S333-D335 PolarHBondContact O-N 2.83Å; S333-D335 VanDerWaalsContact O-N 3.1Å
336T35.3Very low35.5Very low111 Ų111136 Ų13668%0.68173%0.727SS**  trans-141.278.4168.5-36.40000106.7S334S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.04Å; S334-T336 PolarHBondContact O-OG1 3.01Å
337I33.3Very low34.9Very low151 Ų151136.7 Ų136.777%0.77475%0.745SS**  42.9112.3128.5-58.1165.5000114
338R30.2Very low33.9Very low214 Ų214131 Ų13181%0.80873%0.733SS**  trans85.273.4145.9-159.9-177.8-168.5-177.32.1116.6
339S29.9Very low33.1Very low102 Ų102128.3 Ų128.371%0.71373%0.734SS**  trans-135.199.1144.549.70000109.2T341S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact O-N 2.93Å
340H30.8Very low32.6Very low168 Ų168131.4 Ų131.478%0.77875%0.753SS**  trans-56.890.2169.1-58.5-86.4000109
341T32Very low32.5Very low113 Ų113132.6 Ų132.669%0.69375%0.754SS**  trans-106.5101.1163.950.30000106.5S339 V343S339-T341 VanDerWaalsContact C-N 3.29Å; S339-T341 PolarHBondContact O-N 2.93Å; T341-V343 PolarHBondContact O-N 3.17Å
342T26.4Very low32.6Very low132 Ų132134 Ų13481%0.8175%0.753SS**  trans-64.681.8176.1-54.70000108.8R344T342-R344 PolarHBondContact O-N 2.96Å
343V31.7Very low32.6Very low108 Ų108135.3 Ų135.366%0.65575%0.753SS**  trans-80.4108.6166.8-176.60000106.4T341 F345T341-V343 PolarHBondContact O-N 3.17Å; V343-F345 WeakPolarHBondContact O-CD2 3.16Å; V343-F345 PolarHBondContact O-N 2.99Å
344R27.2Very low32.9Very low225 Ų225138.2 Ų138.285%0.84975%0.752SS**PPolyproline II helixtrans-58.9116.7175.8-70.5178.8175.3177.4-1.8108.5T342 P346T342-R344 PolarHBondContact O-N 2.96Å; R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.42Å
345F28.7Very low33.3Very low197 Ų197138.3 Ų138.386%0.86475%0.745SS**PPolyproline II helixtrans-78.6122.2169-72.4-91.9000109.7V343V343-F345 WeakPolarHBondContact O-CD2 3.16Å; V343-F345 PolarHBondContact O-N 2.99Å
346P34.1Very low34.2Very low125 Ų125138.7 Ų138.781%0.81275%0.746SS**PPolyproline II helixtrans-97.4126.5150.431.9-20.8000108.9R344R344-P346 VanDerWaalsContact O-CD 3.28Å; R344-P346 WeakPolarHBondContact O-CD 3.42Å
347G28.5Very low34.8Very low76 Ų76140 Ų14078%0.78475%0.749SS**  trans96.682.4166.300000115.1
348S33.3Very low35.3Very low101 Ų101136.8 Ų136.871%0.70674%0.74SS**  trans-60.6138.1161.547.50000112.2
349N31.1Very low36.1Very low151 Ų151131.8 Ų131.881%0.80774%0.738SS**  trans101.839.4150.6-47.9-24.3000121
350S33.7Very low37Very low98 Ų98132.5 Ų132.569%0.68574%0.74SS**  trans-113.391.4145.468.60000108.9I352S350-I352 PolarHBondContact O-N 3.09Å
351I34.4Very low38Very low147 Ų147130 Ų13075%0.75474%0.742SS**  trans-61.396.4161.3-63.2163.2000104.6D353I351-D353 VanDerWaalsContact C-N 3.27Å; I351-D353 PolarHBondContact O-N 2.98Å; I351-D353 VanDerWaalsContact O-N 3.09Å
352I43.2Very low39.1Very low120 Ų120131 Ų13162%0.61575%0.747SS**  trans-76.894.3168.4-62.3169.8000103.7S350 F354S350-I352 PolarHBondContact O-N 3.09Å; I352-F354 VanDerWaalsContact C-N 3.28Å; I352-F354 HydrophobicContact CB-CE2 4.31Å; I352-F354 HydrophobicContact CG2-CD2 3.99Å; I352-F354 HydrophobicContact CG2-CE2 3.74Å; I352-F354 HydrophobicContact CG2-CZ 4.21Å; I352-F354 WeakPolarHBondContact O-CD2 3.45Å; I352-F354 PolarHBondContact O-N 3.1Å
353D36.3Very low40.2Very low138 Ų138130.1 Ų130.174%0.73874%0.744SS**  trans-60.496.8168.3-83.3-30.2000107.4I351 D355I351-D353 VanDerWaalsContact C-N 3.27Å; I351-D353 PolarHBondContact O-N 2.98Å; I351-D353 VanDerWaalsContact O-N 3.09Å; D353-D355 PolarHBondContact O-N 3.01Å
354F42.7Very low41Very low170 Ų170130.2 Ų130.275%0.74675%0.749SS**  trans-70.493.3161.2-78.9-87.4000106.3I352 L356I352-F354 VanDerWaalsContact C-N 3.28Å; I352-F354 HydrophobicContact CB-CE2 4.31Å; I352-F354 HydrophobicContact CG2-CD2 3.99Å; I352-F354 HydrophobicContact CG2-CE2 3.74Å; I352-F354 HydrophobicContact CG2-CZ 4.21Å; I352-F354 WeakPolarHBondContact O-CD2 3.45Å; I352-F354 PolarHBondContact O-N 3.1Å; F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 PolarHBondContact O-N 3.43Å
355D44.3Very low42.4Very low97 Ų97124.9 Ų124.952%0.51974%0.744SS.*  trans-65.392.4169.4-169.10.6000108.2D353 N357 S358D353-D355 PolarHBondContact O-N 3.01Å; D355-N357 PolarHBondContact O-N 2.84Å; D355-N357 WeakPolarHBondContact OD1-CB 3.21Å; D355-N357 PolarHBondContact OD1-N 3.36Å; D355-N357 PolarHBondContact OD1-ND2 3.34Å; D355-S358 PolarHBondContact O-N 3.43Å; D355-S358 PolarHBondContact O-OG 3.32Å
356L50.8Low43.2Very low168 Ų168120.9 Ų120.988%0.8874%0.737SS**THydrogen-bonded Turntrans-58.8-10.2178.2-77.8159.9000112.7F354F354-L356 VanDerWaalsContact C-N 3.25Å; F354-L356 PolarHBondContact O-N 3.43Å
357N47.4Very low43.6Very low140 Ų140120.8 Ų120.875%0.74974%0.737SS**THydrogen-bonded Turntrans-89.5-9.2175.7-58.5-51.5000113.5D355 S359D355-N357 PolarHBondContact O-N 2.84Å; D355-N357 WeakPolarHBondContact OD1-CB 3.21Å; D355-N357 PolarHBondContact OD1-N 3.36Å; D355-N357 PolarHBondContact OD1-ND2 3.34Å; N357-S359 PolarHBondContact O-N 3.3Å
358S44.1Very low44.5Very low82 Ų82123.4 Ų123.457%0.57374%0.737SS**SBendtrans-76.498.4173.659.40000109.4D355D355-S358 PolarHBondContact O-N 3.43Å; D355-S358 PolarHBondContact O-OG 3.32Å
359S47.8Very low45.2Very low110 Ų110125.8 Ų125.877%0.76974%0.741SS**PPolyproline II helixtrans-55.2131.7168.7-68.20000108.4N357 S361N357-S359 PolarHBondContact O-N 3.3Å; S359-S361 PolarHBondContact O-N 3.41Å
360P49.3Very low46.1Very low117 Ų117123.9 Ų123.976%0.7673%0.734SS**PPolyproline II helixtrans-55.9133.8-175.421.8-32.4000109.8V362P360-V362 PolarHBondContact O-N 3.39Å
361S50.5Low46.6Very low116 Ų116127.1 Ų127.181%0.81174%0.738SS**PPolyproline II helixtrans-53.7116.2175.631.90000109.2S359S359-S361 PolarHBondContact O-N 3.41Å
362V55.7Low46.7Very low132 Ų132131 Ų13180%0.874%0.744SS**PPolyproline II helixtrans-61.8124.9179.8-179.70000107.5P360 S364P360-V362 PolarHBondContact O-N 3.39Å; V362-S364 PolarHBondContact O-N 3.39Å
363P49.9Very low46.4Very low115 Ų115131.9 Ų131.975%0.74775%0.749SS**PPolyproline II helixtrans-59.1130.9179.321.2-30.3000109.5
364S48.4Very low46.5Very low110 Ų110130.9 Ų130.977%0.76975%0.75SS**PPolyproline II helixtrans-55.9138.4178.319.90000110.4V362V362-S364 PolarHBondContact O-N 3.39Å
365P55.3Low46Very low113 Ų113128.3 Ų128.373%0.73475%0.752SS**PPolyproline II helixtrans-62.8147.2179.725.2-32.6000110.6
366P45.9Very low45.6Very low112 Ų112132.5 Ų132.573%0.72777%0.768SS**PPolyproline II helixtrans-60.614817824.9-32.9000111V368P366-V368 PolarHBondContact O-N 3.36Å
367P42.3Very low44.9Very low124 Ų124130.9 Ų130.981%0.80576%0.76SS**PPolyproline II helixtrans-59.6133.3-17823.2-32.4000111.2I369P367-I369 PolarHBondContact O-N 3.14Å
368V48Very low44Very low130 Ų130131.9 Ų131.979%0.78877%0.765SS**PPolyproline II helixtrans-70.1118.3178.9-179.40000108.9P366 V370P366-V368 PolarHBondContact O-N 3.36Å; V368-V370 PolarHBondContact O-N 3.48Å; V368-V370 VanDerWaalsContact O-N 3.11Å
369I48.4Very low43.5Very low151 Ų151134.2 Ų134.277%0.77477%0.77SS**  trans-72.5103.3170.6-58.6169.5000106.8P367 E371P367-I369 PolarHBondContact O-N 3.14Å; I369-E371 PolarHBondContact O-N 3.25Å; I369-E371 VanDerWaalsContact O-N 3.14Å
370V49.7Very low42.5Very low112 Ų112133.7 Ų133.768%0.67977%0.766SS**  trans-76.997.9169.9-173.80000106.7V368 R372V368-V370 PolarHBondContact O-N 3.48Å; V368-V370 VanDerWaalsContact O-N 3.11Å; V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.33Å
371E43.6Very low41.4Very low165 Ų165137.4 Ų137.477%0.77177%0.773SS**  trans-61.795.1163.5-72.5-171.9171.600107.3I369 L373I369-E371 PolarHBondContact O-N 3.25Å; I369-E371 VanDerWaalsContact O-N 3.14Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.46Å
372R36.2Very low40.3Very low229 Ų229137.1 Ų137.186%0.86477%0.771SS**  trans-65.399.2167.4-75.5-169.7177114.1-1.6106.5V370V370-R372 VanDerWaalsContact C-N 3.26Å; V370-R372 PolarHBondContact O-N 3.33Å
373L37.5Very low38.9Very low139 Ų139138.2 Ų138.273%0.72877%0.768SS**  trans-53.9133.9161.2-69.7171.2000107.1E371 C375E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.46Å; L373-C375 PolarHBondContact O-N 3.47Å
374P38.6Very low37.9Very low116 Ų116139.8 Ų139.875%0.75377%0.765SS**  trans-58.4111.7177.222.3-30.3000107.9E376P374-E376 PolarHBondContact O-N 3.36Å
375C32.2Very low37Very low116 Ų116142.5 Ų142.578%0.78477%0.766SS**  trans-62.7118.2165.9-67.40000106.1L373 L377L373-C375 PolarHBondContact O-N 3.47Å; C375-L377 PolarHBondContact O-N 3.32Å
376E36.4Very low35.7Very low186 Ų186146.1 Ų146.187%0.86977%0.772SS**  trans-60.293.3166-61.8-159167.200106.9P374 D378P374-E376 PolarHBondContact O-N 3.36Å; E376-D378 PolarHBondContact O-N 3.49Å
377L34.9Very low34.8Very low134 Ų134145.9 Ų145.970%0.70277%0.774SS**  trans-85.998.1174.5-162.967.4000105.4C375 I379C375-L377 PolarHBondContact O-N 3.32Å; L377-I379 HydrophobicContact CB-CG1 4.41Å; L377-I379 HydrophobicContact CD2-CD1 3.63Å; L377-I379 HydrophobicContact CD2-CG1 3.95Å; L377-I379 HydrophobicContact CG-CD1 4.07Å; L377-I379 HydrophobicContact CG-CG1 3.86Å; L377-I379 PolarHBondContact O-N 3.12Å
378D28.7Very low34.2Very low160 Ų160147.2 Ų147.286%0.85677%0.772SS**  trans-5487.3164.7-77.8-40.5000108.8E376E376-D378 PolarHBondContact O-N 3.49Å
379I33.4Very low33.2Very low131 Ų131147.3 Ų147.367%0.67278%0.777SS**  trans-98.6103.7169.7-61.2167.6000107.1L377L377-I379 HydrophobicContact CB-CG1 4.41Å; L377-I379 HydrophobicContact CD2-CD1 3.63Å; L377-I379 HydrophobicContact CD2-CG1 3.95Å; L377-I379 HydrophobicContact CG-CD1 4.07Å; L377-I379 HydrophobicContact CG-CG1 3.86Å; L377-I379 PolarHBondContact O-N 3.12Å
380S26.9Very low32.3Very low100 Ų100144.8 Ų144.870%0.69977%0.773SS**  trans-39.6139.5166.3-167.50000112.7S382S380-S382 PolarHBondContact O-N 2.79Å
381E27.2Very low31.3Very low194 Ų194144.9 Ų144.991%0.90778%0.779SS**  trans-32.8105.4171.2-71.6167.9126.900113.1
382S26.9Very low30.7Very low110 Ų110143.6 Ų143.677%0.76978%0.782SS**  trans-125.588.9152.347.10000108.2S380S380-S382 PolarHBondContact O-N 2.79Å
383Q27.4Very low30.5Very low156 Ų156140.5 Ų140.573%0.72978%0.782SS**  trans1.8130.7143.7-170167-6.200117.3
384E27.9Very low30.4Very low147 Ų147141.2 Ų141.269%0.68779%0.786SS**  trans68.192.3153.1-73.7163.2-161.800117.9
385Q28.6Very low30.1Very low168 Ų168142.5 Ų142.579%0.78579%0.787SS**  168.6156118.5-86.9163.525.100108.7
386H28.4Very low30.3Very low188 Ų188142.6 Ų142.687%0.8779%0.786SS**  trans89.680-177.7-43.2-65.4000116.1
387S26.7Very low30.4Very low108 Ų108140.2 Ų140.276%0.75578%0.78SS**  trans-103.6151.7149.480.80000109.1
388I30.4Very low30.6Very low151 Ų151141.8 Ų141.877%0.77479%0.788SS**  trans84.257.9-179.5-34.2159.6000115
389C26.5Very low31.2Very low133 Ų133138.6 Ų138.690%0.89978%0.784SS**  trans-116.189.8143.3-77.90000108S391C389-S391 PolarHBondContact O-N 2.99Å; C389-S391 VanDerWaalsContact O-N 3.14Å
390S29.6Very low31.3Very low97 Ų97143.1 Ų143.168%0.67879%0.792SS**  trans-69.9105.1170-63.80000109.9T392S390-T392 PolarHBondContact O-N 2.82Å; S390-T392 PolarHBondContact O-OG1 2.92Å
391S29.7Very low32Very low115 Ų115144.5 Ų144.580%0.80480%0.799SS**  trans0.292.5145.457.30000115.8C389C389-S391 PolarHBondContact O-N 2.99Å; C389-S391 VanDerWaalsContact O-N 3.14Å
392T31Very low32.8Very low138 Ų138141.2 Ų141.285%0.84779%0.787SS**  trans-129.867.7157.4-37.90000108.4S390S390-T392 PolarHBondContact O-N 2.82Å; S390-T392 PolarHBondContact O-OG1 2.92Å
393L32.4Very low33.7Very low164 Ų164144.6 Ų144.686%0.85979%0.787SS**  trans-105.682.9173.9-155.1145.7000106
394N34.5Very low34.4Very low153 Ų153145.8 Ų145.882%0.81880%0.798SS**  trans-158.841.3179.5-98.2-18.4000113.6
395N32.3Very low35.2Very low144 Ų144148.2 Ų148.277%0.7781%0.806SS**  trans-125.598.2163.3-107.6-38.5000110.1N397N395-N397 PolarHBondContact O-N 3.15Å; N395-N397 VanDerWaalsContact O-N 3.16Å
396P37.1Very low35.7Very low118 Ų118151.9 Ų151.977%0.76681%0.813SS**THydrogen-bonded Turntrans-77.411.1-177.931-33.3000114.2
397N38.2Very low35.9Very low136 Ų136146.1 Ų146.173%0.72780%0.804SS**THydrogen-bonded Turntrans-102.95.3-171-71.3-25.5000115.7N395N395-N397 PolarHBondContact O-N 3.15Å; N395-N397 VanDerWaalsContact O-N 3.16Å
398L39.3Very low36.5Very low166 Ų166144.8 Ų144.887%0.86980%0.8SS**  trans-139.371.4-179.6-67.2172.9000111.9
399A40.6Very low37Very low94 Ų94142.9 Ų142.978%0.77780%0.798SS**  trans-131.765.9161.100000108.8P401A399-P401 WeakPolarHBondContact O-CD 3.12Å
400R35.6Very low37.8Very low225 Ų225143.9 Ų143.985%0.84979%0.794SS**  trans-61127.9158.2-76.6-173.3177.4-161.90.4106.4I402R400-I402 WeakPolarHBondContact O-CG1 3.2Å; R400-I402 PolarHBondContact O-N 3.16Å
401P41.6Very low38.1Very low129 Ų129146.7 Ų146.784%0.83880%0.802SS**  trans-65.7100.917723.6-29.8000108.7A399A399-P401 WeakPolarHBondContact O-CD 3.12Å
402I44.6Very low38.4Very low126 Ų126145 Ų14565%0.64679%0.794SS**  trans-79.7136.9168.1-41.3179.2000105.3R400R400-I402 WeakPolarHBondContact O-CG1 3.2Å; R400-I402 PolarHBondContact O-N 3.16Å
403F45.5Very low38.6Very low180 Ų180147.5 Ų147.579%0.78980%0.796SS**  trans88.376.4173.9-40.5-68.3000117.3K405F403-K405 PolarHBondContact O-N 3.09Å; F403-K405 VanDerWaalsContact O-N 3.12Å
404L42.9Very low38.7Very low182 Ų182148.4 Ų148.495%0.95380%0.796SS**  trans-72.586.2144-71171.4000107.6R406L404-R406 PolarHBondContact O-N 2.96Å; L404-R406 VanDerWaalsContact O-N 3.08Å
405K43.1Very low38.4Very low198 Ų198148.1 Ų148.186%0.86180%0.795SS**  trans-69.6104.3175.8-156.6178.5-174.6-175.70107.6F403 G407F403-K405 PolarHBondContact O-N 3.09Å; F403-K405 VanDerWaalsContact O-N 3.12Å; K405-G407 PolarHBondContact O-N 2.82Å; K405-G407 VanDerWaalsContact O-N 3.1Å
406R39.3Very low38.3Very low244 Ų244149.7 Ų149.792%0.92180%0.795SS**  trans-57.8112.7163.1-94-176.6-99.1179.5-5.2106.5L404L404-R406 PolarHBondContact O-N 2.96Å; L404-R406 VanDerWaalsContact O-N 3.08Å
407G32.5Very low37.9Very low67 Ų67150.9 Ų150.969%0.69180%0.795SS**  trans-58.6138165.800000108.5K405K405-G407 PolarHBondContact O-N 2.82Å; K405-G407 VanDerWaalsContact O-N 3.1Å
408A40.3Very low37.7Very low81 Ų81150.8 Ų150.867%0.66979%0.794SS**  trans-62145.5173.200000109.2D410A408-D410 PolarHBondContact O-N 2.95Å; A408-D410 VanDerWaalsContact O-N 3.15Å
409P40.4Very low37.3Very low111 Ų111151.3 Ų151.372%0.72180%0.796SS**  trans-63.8114.1169.826.4-30.1000107.9D411P409-D411 PolarHBondContact O-N 2.81Å
410D44.1Very low36.9Very low154 Ų154153.9 Ų153.982%0.82480%0.795SS**  trans-68.598.5170.2-75.7-36.7000107.5A408 A412A408-D410 PolarHBondContact O-N 2.95Å; A408-D410 VanDerWaalsContact O-N 3.15Å; D410-A412 PolarHBondContact O-N 2.73Å
411D36.2Very low36.4Very low156 Ų156146.3 Ų146.383%0.83479%0.788SS**  trans-64.177.5161.6-71.6-37.3000108.4P409P409-D411 PolarHBondContact O-N 2.81Å
412A35.2Very low36Very low79 Ų79148 Ų14865%0.65379%0.788SS**  trans-101.278.716900000108.8D410 Q414D410-A412 PolarHBondContact O-N 2.73Å; A412-Q414 VanDerWaalsContact C-N 3.35Å; A412-Q414 PolarHBondContact O-N 2.88Å
413E34Very low35.3Very low190 Ų190148.2 Ų148.289%0.88879%0.791SS**  trans-60.299.4153.6-63.7-167.6167.100108
414Q35Very low34.9Very low183 Ų183147.2 Ų147.286%0.85579%0.793SS**  trans-113.688159.4-78.6-166.7-6.900108.8A412A412-Q414 VanDerWaalsContact C-N 3.35Å; A412-Q414 PolarHBondContact O-N 2.88Å
415N28.3Very low34.5Very low147 Ų147145 Ų14579%0.78678%0.782SS**  trans15.4128.3140.8-152.8-1.5000118
416F29.8Very low34.2Very low178 Ų178143.2 Ų143.278%0.78177%0.774SS**  trans-67.1166.1169.3-73.3-99.5000111.6
417D29.9Very low33.8Very low142 Ų142140.5 Ų140.576%0.75977%0.772SS**  trans102.5128154.8-52.5-36.1000118.2
418D32.5Very low33.8Very low134 Ų134146.6 Ų146.672%0.71778%0.775SS**  trans74.876.9155.2-69.4-17.6000119.9
419I32.4Very low33.6Very low177 Ų177149.5 Ų149.591%0.90878%0.779SS**  -132.992.9126.1-55.5-176.7000110
420I31.3Very low33.4Very low148 Ų148151.5 Ų151.576%0.75978%0.782SS**  trans-45.4138.3157.4-65.6157.8000111.2
421G26.5Very low33.3Very low67 Ų67149.8 Ų149.869%0.69178%0.78SS**  trans108.572144.900000116.7
422L31.6Very low33.3Very low163 Ų163147.4 Ų147.485%0.85378%0.775SS**  trans-127.586.8147-155.871000109.8I424L422-I424 PolarHBondContact O-N 2.86Å
423D31.3Very low33.3Very low132 Ų132148 Ų14871%0.70678%0.781SS**  trans-3.898.5159-150.5-0.5000115.7N425D423-N425 PolarHBondContact O-N 2.68Å; D423-N425 PolarHBondContact OD1-ND2 2.73Å
424I35.7Very low33.2Very low159 Ų159147.5 Ų147.582%0.81578%0.78SS**  trans-81.37.6179.5-60.7170.7000111.4L422 K426L422-I424 PolarHBondContact O-N 2.86Å; I424-K426 VanDerWaalsContact C-N 3.34Å; I424-K426 PolarHBondContact O-N 3.27Å
425N35.1Very low33.2Very low135 Ų135148.2 Ų148.272%0.72278%0.78SS**  trans-92.834-170.9-58.3-51.6000115.3D423D423-N425 PolarHBondContact O-N 2.68Å; D423-N425 PolarHBondContact OD1-ND2 2.73Å
426K36Very low33.6Very low161 Ų161152.5 Ų152.570%0.779%0.786SS**  trans-105.788.5161.6-67.7-165.1179.5-1760109I424 Y428I424-K426 VanDerWaalsContact C-N 3.34Å; I424-K426 PolarHBondContact O-N 3.27Å; K426-Y428 HydrophobicContact CB-CD2 3.81Å; K426-Y428 HydrophobicContact CB-CE2 3.79Å; K426-Y428 HydrophobicContact CD-CE2 4.21Å; K426-Y428 PolarHBondContact O-N 3.1Å
427E32.3Very low33.7Very low187 Ų187148.1 Ų148.187%0.87478%0.777SS**  trans-34.682.7146.6-172.8170-159.900109.7
428Y32Very low34.1Very low194 Ų194148.3 Ų148.376%0.76177%0.773SS**  trans-90.8103.9165.6-92-84.1000105.6K426 I430K426-Y428 HydrophobicContact CB-CD2 3.81Å; K426-Y428 HydrophobicContact CB-CE2 3.79Å; K426-Y428 HydrophobicContact CD-CE2 4.21Å; K426-Y428 PolarHBondContact O-N 3.1Å; Y428-I430 PolarHBondContact O-N 3.32Å; Y428-I430 VanDerWaalsContact O-N 3.09Å
429D35.5Very low34.1Very low142 Ų142151.4 Ų151.476%0.75978%0.776SS**  trans-35.3117162.6-85.8-45.8000109.2P431D429-P431 WeakPolarHBondContact O-CD 3.43Å
430I37.6Very low34.2Very low153 Ų153152.7 Ų152.779%0.78577%0.77SS**  trans-48112.4170.5-66.6157.1000105.9Y428 S432Y428-I430 PolarHBondContact O-N 3.32Å; Y428-I430 VanDerWaalsContact O-N 3.09Å; I430-S432 VanDerWaalsContact C-N 3.26Å; I430-S432 PolarHBondContact O-N 3.22Å
431P40.9Very low34.4Very low119 Ų119150.6 Ų150.677%0.77376%0.76SS**  trans-64.3103.1171.3-13.528.2000104.7D429 A433D429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-A433 PolarHBondContact O-N 3.11Å; P431-A433 VanDerWaalsContact O-N 3.08Å
432S36.7Very low35.2Very low105 Ų105155 Ų15573%0.73477%0.767SS**  trans-34.9119175.8-175.80000108.2I430 M434I430-S432 VanDerWaalsContact C-N 3.26Å; I430-S432 PolarHBondContact O-N 3.22Å; S432-M434 PolarHBondContact O-N 3.47Å
433A35.2Very low35.9Very low93 Ų93152.4 Ų152.477%0.76976%0.758SS**  trans-46.494-178.500000108.8P431 K435P431-A433 PolarHBondContact O-N 3.11Å; P431-A433 VanDerWaalsContact O-N 3.08Å; A433-K435 VanDerWaalsContact C-N 3.29Å; A433-K435 PolarHBondContact O-N 3.19Å
434M31Very low36.4Very low179 Ų179152.4 Ų152.488%0.88276%0.758SS**  trans-65.3102.7175.1-170.2100.2127.800103.4S432 R436S432-M434 PolarHBondContact O-N 3.47Å; M434-R436 PolarHBondContact O-N 3.11Å
435K35.5Very low36.9Very low197 Ų197153.6 Ų153.686%0.85776%0.76SS**  trans-32.6101.1172.7-87.2174.1168.4173.90108A433 S437A433-K435 VanDerWaalsContact C-N 3.29Å; A433-K435 PolarHBondContact O-N 3.19Å; K435-S437 PolarHBondContact O-N 3.44Å
436R36.1Very low37.3Very low238 Ų238156 Ų15690%0.89877%0.767SS**  trans-70.384.2163.3-108.2-179.2169.4152-2.9104.4M434 H438M434-R436 PolarHBondContact O-N 3.11Å; R436-H438 PolarHBondContact O-N 3.46Å; R436-H438 VanDerWaalsContact O-N 3.14Å
437S32.9Very low37.5Very low85 Ų85158.5 Ų158.559%0.59477%0.774SS**  trans-43.8119.2161.7170.50000106.5K435 Y439K435-S437 PolarHBondContact O-N 3.44Å; S437-Y439 PolarHBondContact O-N 3.45Å
438H39Very low38Very low146 Ų146153.2 Ų153.268%0.67676%0.757SS**  trans-6564.9172-68-82.6000109.5R436 W440R436-H438 PolarHBondContact O-N 3.46Å; R436-H438 VanDerWaalsContact O-N 3.14Å; H438-W440 HydrophobicContact CB-CZ2 4.4Å; H438-W440 AromaticContact ND1-CZ2 3.47Å; H438-W440 WeakPolarHBondContact ND1-CZ2 3.35Å; H438-W440 PolarHBondContact O-N 3.14Å
439Y31.2Very low38.6Very low200 Ų200149.5 Ų149.578%0.78476%0.757SS**  trans-92.290.4160.9-111.3-98000106S437 D441S437-Y439 PolarHBondContact O-N 3.45Å; Y439-D441 PolarHBondContact O-N 3.15Å
440W35.1Very low38.9Very low203 Ų203151.8 Ų151.877%0.76976%0.76SS**  trans-60.588.6160.9-45.198.6000106.3H438 L442H438-W440 HydrophobicContact CB-CZ2 4.4Å; H438-W440 AromaticContact ND1-CZ2 3.47Å; H438-W440 WeakPolarHBondContact ND1-CZ2 3.35Å; H438-W440 PolarHBondContact O-N 3.14Å; W440-L442 PolarHBondContact O-N 3.11Å; W440-L442 VanDerWaalsContact O-N 3.12Å
441D34.7Very low39.4Very low104 Ų104153.6 Ų153.656%0.55676%0.762SS**  trans-74.599.9175-165.6-13.3000107.3Y439 T443Y439-D441 PolarHBondContact O-N 3.15Å; D441-T443 PolarHBondContact O-N 2.99Å; D441-T443 PolarHBondContact OD1-N 3.45Å; D441-T443 PolarHBondContact OD1-OG1 3.25Å
442L43.9Very low39.5Very low161 Ų161152.3 Ų152.384%0.84376%0.756SS**THydrogen-bonded Turntrans-63.85.1-179.3-87.6105000113.8W440W440-L442 PolarHBondContact O-N 3.11Å; W440-L442 VanDerWaalsContact O-N 3.12Å
443T45.6Very low39.8Very low107 Ų107157.3 Ų157.366%0.65676%0.759SS**THydrogen-bonded Turntrans-98.9-0.1-171.263.50000115.5D441D441-T443 PolarHBondContact O-N 2.99Å; D441-T443 PolarHBondContact OD1-N 3.45Å; D441-T443 PolarHBondContact OD1-OG1 3.25Å
444N42.1Very low40.3Very low133 Ų133158 Ų15871%0.71175%0.753SS**  trans-113.156176.4-65-45.1000112.3E446N444-E446 PolarHBondContact O-N 3.23Å
445E45.9Very low41Very low183 Ų183155.8 Ų155.886%0.85574%0.741SS**  trans-7481.2155-77.2-167.2159.100108.1Y447E445-Y447 PolarHBondContact O-N 3.1Å
446E43.5Very low41.6Very low186 Ų186152.9 Ų152.987%0.86973%0.734SS**  trans-57.8104.5164-159.2169.5-153.200106.9N444 S448N444-E446 PolarHBondContact O-N 3.23Å; E446-S448 VanDerWaalsContact C-N 3.35Å; E446-S448 PolarHBondContact O-N 2.84Å
447Y41.5Very low42.1Very low214 Ų214149.4 Ų149.484%0.83973%0.732SS**  trans-59.492.7-173-167.4-92.7000109.6E445 P449E445-Y447 PolarHBondContact O-N 3.1Å; Y447-P449 VanDerWaalsContact O-CD 3.23Å; Y447-P449 WeakPolarHBondContact O-CD 3.41Å
448S43Very low42.9Very low76 Ų76151.8 Ų151.853%0.53174%0.738SS.*  trans-78.2114.2175.4-171.80000108.8E446 K450E446-S448 VanDerWaalsContact C-N 3.35Å; E446-S448 PolarHBondContact O-N 2.84Å; S448-K450 PolarHBondContact O-N 3.23Å
449P43.9Very low43.2Very low115 Ų115149.9 Ų149.975%0.74774%0.738SS**THydrogen-bonded Turntrans-66.8-0.7-176-19.433.1000114.3Y447Y447-P449 VanDerWaalsContact O-CD 3.23Å; Y447-P449 WeakPolarHBondContact O-CD 3.41Å
450K41.8Very low44Very low191 Ų191143.7 Ų143.783%0.8372%0.724SS**THydrogen-bonded Turntrans-92.1-3.3-174.5-72.1-170.9176.1-1800114.8S448 S452S448-K450 PolarHBondContact O-N 3.23Å; K450-S452 VanDerWaalsContact C-N 3.29Å; K450-S452 PolarHBondContact O-N 3.25Å
451K48Very low44.9Very low190 Ų190143.3 Ų143.383%0.82673%0.731SS**SBendtrans-8682.7169-69.1-174.4179.21770109.3R453K451-R453 PolarHBondContact O-N 3.11Å
452S42.6Very low45.6Very low93 Ų93143.2 Ų143.265%0.6574%0.737SS**  trans10.9109.7146.7174.50000113.9K450 V454K450-S452 VanDerWaalsContact C-N 3.29Å; K450-S452 PolarHBondContact O-N 3.25Å; S452-V454 PolarHBondContact O-N 3.03Å; S452-V454 WeakPolarHBondContact OG-CG2 3.46Å
453R43.1Very low45.6Very low210 Ų210139.1 Ų139.179%0.79272%0.722SS**  trans-5667.1166.7-175.4-179160.5148.5-4.1110.7K451 Q455K451-R453 PolarHBondContact O-N 3.11Å; R453-Q455 HydrophobicContact CG-CG 4.05Å; R453-Q455 PolarHBondContact O-N 3.18Å; R453-Q455 VanDerWaalsContact O-N 3.1Å
454V46.1Very low45.5Very low107 Ų107137.5 Ų137.565%0.64872%0.719SS**  trans-8178.9156-165.80000103.3S452 L456S452-V454 PolarHBondContact O-N 3.03Å; S452-V454 WeakPolarHBondContact OG-CG2 3.46Å; V454-L456 PolarHBondContact O-N 2.85Å
455Q46Very low45.8Very low133 Ų133140.3 Ų140.362%0.62173%0.726SS**  trans-59.397.2155.7-77.6176.5-15.500103.6R453 L457R453-Q455 HydrophobicContact CG-CG 4.05Å; R453-Q455 PolarHBondContact O-N 3.18Å; R453-Q455 VanDerWaalsContact O-N 3.1Å; Q455-L457 PolarHBondContact O-N 2.9Å
456L48.2Very low45.8Very low136 Ų136137.9 Ų137.971%0.71272%0.718SS**  trans-53.698.1161.8-77.9156.8000103.7V454 L458V454-L456 PolarHBondContact O-N 2.85Å; L456-L458 HydrophobicContact CB-CD1 3.74Å; L456-L458 PolarHBondContact O-N 2.78Å
457L47Very low45.9Very low164 Ų164134.3 Ų134.386%0.85971%0.711SS**  trans-62.175.1157.5-80.4150000104.1Q455 P459Q455-L457 PolarHBondContact O-N 2.9Å; L457-P459 WeakPolarHBondContact O-CD 3.49Å; L457-P459 VanDerWaalsContact O-N 3.13Å
458L47.6Very low46.1Very low136 Ų136130.5 Ų130.571%0.71271%0.71SS**  trans-56.5117.8157.1-93.391.5000103L456 S460L456-L458 HydrophobicContact CB-CD1 3.74Å; L456-L458 PolarHBondContact O-N 2.78Å; L458-S460 PolarHBondContact O-N 3.37Å
459P47.1Very low46.2Very low105 Ų105135.9 Ų135.968%0.68272%0.723SS**  trans-53.3114.3164.4-1629.7000104.2L457 E461L457-P459 WeakPolarHBondContact O-CD 3.49Å; L457-P459 VanDerWaalsContact O-N 3.13Å; P459-E461 PolarHBondContact O-N 2.76Å
460S47.3Very low46.2Very low71 Ų71134.3 Ų134.350%0.49772%0.715SS.*  trans-52.8134.9167.4540000105.2L458 C462 S463L458-S460 PolarHBondContact O-N 3.37Å; S460-C462 PolarHBondContact O-N 3.48Å; S460-S463 PolarHBondContact O-N 3.29Å; S460-S463 VanDerWaalsContact OG-CB 3.29Å; S460-S463 WeakPolarHBondContact OG-CB 3.45Å
461E54.1Low46.4Very low194 Ų194131.5 Ų131.591%0.90771%0.714SS**THydrogen-bonded Turntrans-54.7-5.9-17955.2-146.6149.400113.9P459P459-E461 PolarHBondContact O-N 2.76Å
462C48.3Very low46.2Very low102 Ų102132.5 Ų132.569%0.68971%0.713SS**THydrogen-bonded Turntrans-100.3-2173.7-560000115.1S460S460-C462 PolarHBondContact O-N 3.48Å
463S44Very low46.1Very low76 Ų76136.7 Ų136.753%0.53172%0.722SS.*SBendtrans-122.589.4-170.1-166.90000111.7S460S460-S463 PolarHBondContact O-N 3.29Å; S460-S463 VanDerWaalsContact OG-CB 3.29Å; S460-S463 WeakPolarHBondContact OG-CB 3.45Å
464A45.1Very low46.2Very low72 Ų72132.7 Ų132.760%0.59572%0.716SS**SBendtrans163.1-22.813500000112.4
465F48.5Very low46Very low192 Ų192134.2 Ų134.284%0.84272%0.72SS**  trans-147.843.1-171-59.3-76.5000114.5P467F465-P467 WeakPolarHBondContact O-CD 3.4Å
466L45.7Very low45.9Very low133 Ų133136.3 Ų136.370%0.69673%0.73SS**  trans-68.6118.2159.3-74.8174.5000107V468L466-V468 PolarHBondContact O-N 3.49Å
467P45.8Very low45.6Very low110 Ų110138 Ų13871%0.71473%0.731SS**  trans-57.5109.9169.522.5-29.8000106.4F465 K469F465-P467 WeakPolarHBondContact O-CD 3.4Å; P467-K469 VanDerWaalsContact C-N 3.27Å; P467-K469 PolarHBondContact O-N 3.47Å
468V45.7Very low45.4Very low135 Ų135137.5 Ų137.582%0.81872%0.724SS**  trans-59.8101.7169.5-179.30000104.4L466 S470L466-V468 PolarHBondContact O-N 3.49Å; V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 PolarHBondContact O-N 3.33Å
469K44.6Very low45.1Very low188 Ų188138.2 Ų138.282%0.81773%0.727SS**  trans-58.6101.5168.4-72.4-173.5176.9-178.20104.8P467 T471P467-K469 VanDerWaalsContact C-N 3.27Å; P467-K469 PolarHBondContact O-N 3.47Å; K469-T471 VanDerWaalsContact C-N 3.35Å; K469-T471 PolarHBondContact O-N 3.31Å
470S44.2Very low44.8Very low83 Ų83140 Ų14058%0.5873%0.726SS**  trans-63.7103.4174.5-174.10000106V468 R472V468-S470 VanDerWaalsContact C-N 3.25Å; V468-S470 PolarHBondContact O-N 3.33Å; S470-R472 PolarHBondContact O-N 3.05Å; S470-R472 WeakPolarHBondContact OG-CG 3.41Å
471T44.5Very low44.4Very low131 Ų131141.9 Ų141.980%0.80474%0.738SS**  trans-72.242.5167.443.20000110.4K469 Q473K469-T471 VanDerWaalsContact C-N 3.35Å; K469-T471 PolarHBondContact O-N 3.31Å; T471-Q473 PolarHBondContact O-N 3.17Å; T471-Q473 VanDerWaalsContact O-N 3.09Å
472R44.6Very low43.9Very low211 Ų211138.7 Ų138.780%0.79673%0.732SS**  trans-78.147152.5-65.1-177.5-172.7-165.13.9108.9S470 L474S470-R472 PolarHBondContact O-N 3.05Å; S470-R472 WeakPolarHBondContact OG-CG 3.41Å; R472-L474 PolarHBondContact O-N 3.44Å
473Q41.4Very low43.4Very low181 Ų181138.4 Ų138.485%0.84673%0.731SS**  trans-6883.5133.7-85.6-176.7-1900103.4T471 D475T471-Q473 PolarHBondContact O-N 3.17Å; T471-Q473 VanDerWaalsContact O-N 3.09Å; Q473-D475 PolarHBondContact O-N 3.43Å
474L44.1Very low43.2Very low126 Ų126139.7 Ų139.766%0.6674%0.737SS**  trans-52.2105.6155.1-78164.8000103.4R472 H476R472-L474 PolarHBondContact O-N 3.44Å; L474-H476 VanDerWaalsContact C-N 3.29Å; L474-H476 PolarHBondContact O-N 3Å; L474-H476 PolarHBondContact O-ND1 3.34Å
475D42.4Very low43.1Very low139 Ų139142 Ų14274%0.74375%0.747SS**  trans-33.4107.1156.1-111.3-26.1000105.1Q473 K477Q473-D475 PolarHBondContact O-N 3.43Å; D475-K477 PolarHBondContact O-N 3.43Å
476H42.9Very low42.5Very low178 Ų178138.9 Ų138.982%0.82475%0.747SS**  trans-7150.5170.1-76.48.2000107.5L474 H478L474-H476 VanDerWaalsContact C-N 3.29Å; L474-H476 PolarHBondContact O-N 3Å; L474-H476 PolarHBondContact O-ND1 3.34Å; H476-H478 PolarHBondContact O-N 2.97Å
477K43.1Very low42Very low171 Ų171140.8 Ų140.874%0.74376%0.757SS**  trans-70.690.9158.5-116.1179.5178.1175.60104.5D475 I479D475-K477 PolarHBondContact O-N 3.43Å; K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.72Å
478H42Very low41.5Very low153 Ų153150.8 Ų150.871%0.70878%0.78SS**  trans15.574.2151.9-72.51.2000113.3H476 H480H476-H478 PolarHBondContact O-N 2.97Å; H478-H480 AromaticContact CD2-NE2 3.84Å; H478-H480 PolarHBondContact O-N 2.87Å
479I41.3Very low41.3Very low151 Ų151151.6 Ų151.677%0.77478%0.778SS**  trans-73.988.4155.4-58176.1000102K477 C481K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.72Å; I479-C481 PolarHBondContact O-N 3.49Å
480H40.5Very low41.2Very low142 Ų142149.6 Ų149.666%0.65778%0.776SS**  trans-54.3101.9162.6-76.3-83.7000105H478 V482H478-H480 AromaticContact CD2-NE2 3.84Å; H478-H480 PolarHBondContact O-N 2.87Å; H480-V482 PolarHBondContact O-N 3.43Å
481C39.5Very low41Very low112 Ų112153.3 Ų153.376%0.75779%0.787SS**  trans-61.291.5161.1-68.10000104.7I479 S483I479-C481 PolarHBondContact O-N 3.49Å; C481-S483 PolarHBondContact O-N 3.38Å
482V43.2Very low40.8Very low127 Ų127154.6 Ų154.677%0.7779%0.786SS**  trans-66.388.1164.4-177.40000104.1H480H480-V482 PolarHBondContact O-N 3.43Å
483S38.5Very low40.5Very low95 Ų95151.1 Ų151.166%0.66479%0.785SS**PPolyproline II helixtrans-56.3130.4166.431.30000106.8C481C481-S483 PolarHBondContact O-N 3.38Å
484P39.2Very low40.5Very low104 Ų104149.1 Ų149.168%0.67578%0.781SS**PPolyproline II helixtrans-55.5143.3176.7-20.430.2000109.4C486P484-C486 PolarHBondContact O-N 3.21Å
485P42.7Very low40.2Very low121 Ų121150.8 Ų150.879%0.78679%0.79SS**PPolyproline II helixtrans-57117.2177.123.1-31000108.6L487P485-L487 PolarHBondContact O-N 3Å
486C37.7Very low40.1Very low126 Ų126151.7 Ų151.785%0.85179%0.794SS**  trans-59.4111.9169.4-68.50000107.4P484 R488P484-C486 PolarHBondContact O-N 3.21Å; C486-R488 PolarHBondContact O-N 3.18Å
487L35.1Very low39.8Very low172 Ų172149.5 Ų149.590%0.90179%0.791SS**  trans-59.2105166.6-72.5164000108.2P485P485-L487 PolarHBondContact O-N 3Å
488R35.2Very low39.5Very low320 Ų320147.5 Ų147.5100%1.20880%0.796SS**  trans-151.70150-107.1-173.3-172.3161.33.2110.7C486C486-R488 PolarHBondContact O-N 3.18Å

Retrieved 488 of 488 residues in 167.8 ms (Link to these results)