A0A5K4EF00_SCHMA Loading...

Putative surface protein PspC

AlphaFold DB , UniProt , Accession A0A5K4EF00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 751 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
1M40.2Very low40.7Very low242 Ų242142.5 Ų142.5100%1.19280%0.803SS**  0114.40-70.1171.7171.600107.5L3M1-L3 PolarHBondContact O-N 2.85Å
2S34.6Very low41.3Very low114 Ų114137 Ų13780%0.79777%0.769SS**  trans-89.6108.4-177.6-57.30000110N4S2-N4 PolarHBondContact O-N 2.61Å
3L40.1Very low41.3Very low160 Ų160132.3 Ų132.384%0.83875%0.748SS**  trans-70.595.2168.3-82.2163.7000108.5M1 K5M1-L3 PolarHBondContact O-N 2.85Å; L3-K5 PolarHBondContact O-N 3.42Å
4N41.4Very low41.5Very low150 Ų150128 Ų12880%0.80274%0.737SS**  trans-63.885.6165.8-78.2-4.6000108.5S2 S6S2-N4 PolarHBondContact O-N 2.61Å; N4-S6 PolarHBondContact O-N 2.99Å
5K43.1Very low41.7Very low184 Ų184129.7 Ų129.780%0.874%0.743SS**  trans-63.289.2165-71.6-176177.1-177.40107L3 N7L3-K5 PolarHBondContact O-N 3.42Å; K5-N7 PolarHBondContact O-N 3.38Å
6S42.9Very low42Very low89 Ų89127.1 Ų127.162%0.62272%0.724SS**  trans-58.3121.9167.243.80000107.4N4 K8N4-S6 PolarHBondContact O-N 2.99Å; S6-K8 PolarHBondContact O-N 2.64Å
7N41.4Very low41.8Very low163 Ų163128.4 Ų128.487%0.87272%0.716SS**  trans-66.184.5169.4-78-20.9000107.3K5 S9K5-N7 PolarHBondContact O-N 3.38Å; N7-S9 PolarHBondContact O-N 3.16Å
8K42.3Very low41.3Very low173 Ų173127 Ų12775%0.75272%0.715SS**  trans-61.3106.7164-69-167.8175-164.60105.9S6S6-K8 PolarHBondContact O-N 2.64Å
9S41.9Very low40.9Very low86 Ų86128.7 Ų128.760%0.60172%0.717SS**  trans-43.8147.9159.744.30000109.2N7 C11N7-S9 PolarHBondContact O-N 3.16Å; S9-C11 PolarHBondContact O-N 3.12Å; S9-C11 PolarHBondContact OG-SG 3.11Å
10A40.8Very low40.6Very low107 Ų107129.4 Ų129.488%0.88471%0.709SS**  trans-70.963.3178.900000111.4I12A10-I12 PolarHBondContact O-N 2.92Å; A10-I12 VanDerWaalsContact O-N 3.16Å
11C39.4Very low40.4Very low100 Ų100128.7 Ų128.768%0.67671%0.709SS**  trans-66.8110.1170.7-64.70000107.5S9S9-C11 PolarHBondContact O-N 3.12Å; S9-C11 PolarHBondContact OG-SG 3.11Å
12I47.5Very low40.4Very low76 Ų76125 Ų12539%0.3969%0.688SS.*  trans-46.7131.9168-60.5166.9000107.7A10 A14 I16 Y17 L37A10-I12 PolarHBondContact O-N 2.92Å; A10-I12 VanDerWaalsContact O-N 3.16Å; I12-A14 PolarHBondContact O-N 3.29Å; I12-I16 HydrophobicContact CG2-CB 4.15Å; I12-I16 HydrophobicContact CG2-CD1 4.03Å; I12-I16 HydrophobicContact CG2-CG2 4.43Å; I12-Y17 HydrophobicContact CG2-CD2 4.33Å; I12-L37 HydrophobicContact CD1-CD1 4.11Å; I12-L37 HydrophobicContact CD1-CD2 4.25Å
13P41.3Very low41Very low76 Ų76127.8 Ų127.849%0.49469%0.694SS.*  trans-53.1128.7178-26.734000111.1N15 I16P13-N15 PolarHBondContact O-N 3.04Å; P13-I16 HydrophobicContact CB-CD1 4.42Å; P13-I16 HydrophobicContact CB-CG1 4.38Å; P13-I16 HydrophobicContact CG-CD1 4.29Å; P13-I16 WeakPolarHBondContact O-CB 3.38Å; P13-I16 PolarHBondContact O-N 3.21Å
14A44.1Very low41.2Very low72 Ų72129.1 Ų129.160%0.59569%0.688SS**G310 helixtrans-58.1-24.8-178.400000112.7I12 I16 Y17 C18I12-A14 PolarHBondContact O-N 3.29Å; A14-I16 PolarHBondContact O-N 3.15Å; A14-Y17 CarbonylContact O-C 3.39Å; A14-Y17 WeakPolarHBondContact O-CA 3.15Å; A14-Y17 PolarHBondContact O-N 3.12Å; A14-C18 PolarHBondContact O-N 2.97Å
15N44.2Very low41.6Very low154 Ų154128.2 Ų128.282%0.82467%0.674SS**G310 helixtrans-60.7-15.3172.5-53.565000114.4P13 Y17P13-N15 PolarHBondContact O-N 3.04Å; N15-Y17 VanDerWaalsContact C-N 3.31Å
16I47.3Very low42.3Very low88 Ų88125.3 Ų125.345%0.45166%0.664SS.*G310 helixtrans-86.9-7.7172.3-55.8179.6000110.8I12 P13 A14 L33I12-I16 HydrophobicContact CG2-CB 4.15Å; I12-I16 HydrophobicContact CG2-CD1 4.03Å; I12-I16 HydrophobicContact CG2-CG2 4.43Å; P13-I16 HydrophobicContact CB-CD1 4.42Å; P13-I16 HydrophobicContact CB-CG1 4.38Å; P13-I16 HydrophobicContact CG-CD1 4.29Å; P13-I16 WeakPolarHBondContact O-CB 3.38Å; P13-I16 PolarHBondContact O-N 3.21Å; A14-I16 PolarHBondContact O-N 3.15Å; I16-L33 HydrophobicContact CG2-CD1 3.83Å
17Y37.9Very low43.2Very low148 Ų148127 Ų12758%0.5867%0.666SS**SBendtrans-130.97.1-165.9-106.6-75.5000114.9I12 A14 N15I12-Y17 HydrophobicContact CG2-CD2 4.33Å; A14-Y17 CarbonylContact O-C 3.39Å; A14-Y17 WeakPolarHBondContact O-CA 3.15Å; A14-Y17 PolarHBondContact O-N 3.12Å; N15-Y17 VanDerWaalsContact C-N 3.31Å
18C33.1Very low44.3Very low104 Ų104124.7 Ų124.770%0.70365%0.65SS**SBendtrans-150.457.6179.2-150.30000114.5A14A14-C18 PolarHBondContact O-N 2.97Å
19E34.3Very low45.3Very low159 Ų159117.8 Ų117.874%0.74363%0.627SS**SBendtrans-153.8157.4151.8-109169.2-132.900106.6
20Y33.4Very low46.4Very low142 Ų142116.1 Ų116.156%0.55761%0.611SS**  trans63.434.3-177-55.9-85.3000117.6H22 R24Y20-H22 PolarHBondContact O-N 2.94Å; Y20-R24 WeakPolarHBondContact CB-O 3.38Å
21T37.4Very low47.6Very low116 Ų116118.9 Ų118.971%0.71260%0.599SS**THydrogen-bonded Turntrans-72.363162.7560000112.2
22H39.4Very low49Very low163 Ų163117.9 Ų117.976%0.75559%0.586SS**THydrogen-bonded Turntrans-169.190.5166.6-88.5116.3000109.7Y20 R24Y20-H22 PolarHBondContact O-N 2.94Å; H22-R24 PolarHBondContact O-N 3.48Å
23D48.6Very low49.8Very low173 Ų173115.1 Ų115.193%0.92557%0.573SS**THydrogen-bonded Turntrans48.414.9165.6-56.4-25.4000118.6
24R44.2Very low51.1Low188 Ų188116.1 Ų116.171%0.70957%0.57SS**  trans-137.971.1-178.3-76.6-170.4-80.8-176.6-7.1112.3Y20 H22 Q26Y20-R24 WeakPolarHBondContact CB-O 3.38Å; H22-R24 PolarHBondContact O-N 3.48Å; R24-Q26 PolarHBondContact O-N 3.09Å
25Y49.9Very low52.5Low131 Ų131119.8 Ų119.851%0.51457%0.573SS.*  trans-58.4118.7143.8-65.8-77.6000107.2L30 L33 P42Y25-L30 HydrophobicContact CD1-CD2 4.12Å; Y25-L30 HydrophobicContact CD2-CD2 3.8Å; Y25-L30 HydrophobicContact CG-CD2 3.53Å; Y25-L30 HydrophobicContact CG-CG 4.33Å; Y25-L33 HydrophobicContact CD1-CD2 4.4Å; Y25-L33 HydrophobicContact CE1-CD2 3.77Å; Y25-P42 HydrophobicContact CD2-CB 4.38Å; Y25-P42 HydrophobicContact CE2-CB 4.08Å
26Q56.5Low53.7Low124 Ų124119.8 Ų119.858%0.57956%0.563SS**  trans-67.6149.9165.2-61.8-165.316.200108.9R24 E28 G29 L30R24-Q26 PolarHBondContact O-N 3.09Å; Q26-E28 PolarHBondContact O-N 3.03Å; Q26-E28 VanDerWaalsContact O-N 3.12Å; Q26-G29 VanDerWaalsContact O-CA 3.31Å; Q26-G29 WeakPolarHBondContact O-CA 3.36Å; Q26-G29 PolarHBondContact O-N 2.9Å; Q26-L30 PolarHBondContact O-N 2.82Å
27D62.7Low54.6Low125 Ų125117.8 Ų117.867%0.66855%0.553SS**Hα-helixtrans-54.4-37.7-175.5-63-53.1000112.5G29 L30 R31D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.16Å; D27-L30 WeakPolarHBondContact O-CB 3.08Å; D27-L30 PolarHBondContact O-N 3.15Å; D27-R31 VanDerWaalsContact O-CG 3.23Å; D27-R31 WeakPolarHBondContact O-CG 3.4Å; D27-R31 PolarHBondContact O-N 2.92Å
28E64.7Low55.8Low114 Ų114114 Ų11453%0.53355%0.546SS..Hα-helixtrans-65.7-34.9177-153.160.2-161.800112Q26 R31 L32Q26-E28 PolarHBondContact O-N 3.03Å; Q26-E28 VanDerWaalsContact O-N 3.12Å; E28-R31 PolarHBondContact O-N 2.77Å; E28-R31 IonicContact OE2-NH1 3.68Å; E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CD1 3.21Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.12Å
29G63.8Low57.1Low27 Ų27118.1 Ų118.128%0.27855%0.548SS..Hα-helixtrans-65.7-40.5171.300000112.9Q26 D27 L32 L33Q26-G29 VanDerWaalsContact O-CA 3.31Å; Q26-G29 WeakPolarHBondContact O-CA 3.36Å; Q26-G29 PolarHBondContact O-N 2.9Å; D27-G29 VanDerWaalsContact C-N 3.31Å; D27-G29 PolarHBondContact O-N 3.16Å; G29-L32 PolarHBondContact O-N 3.2Å; G29-L33 WeakPolarHBondContact O-CB 3.23Å; G29-L33 PolarHBondContact O-N 3.49Å
30L63.2Low58.2Low51 Ų51111.4 Ų111.427%0.26752%0.517SS..Hα-helixtrans-61.8-45.5172.6-65.1177.3000111.4Y25 Q26 D27 L33 E34 P42Y25-L30 HydrophobicContact CD1-CD2 4.12Å; Y25-L30 HydrophobicContact CD2-CD2 3.8Å; Y25-L30 HydrophobicContact CG-CD2 3.53Å; Y25-L30 HydrophobicContact CG-CG 4.33Å; Q26-L30 PolarHBondContact O-N 2.82Å; D27-L30 WeakPolarHBondContact O-CB 3.08Å; D27-L30 PolarHBondContact O-N 3.15Å; L30-L33 WeakPolarHBondContact O-CB 3.39Å; L30-L33 PolarHBondContact O-N 3.41Å; L30-E34 PolarHBondContact O-N 3.1Å; L30-P42 HydrophobicContact CD2-CB 3.39Å; L30-P42 HydrophobicContact CD2-CG 3.72Å
31R66.9Low59.4Low165 Ų165105.7 Ų105.762%0.62350%0.496SS*.Hα-helixtrans-66.8-36.8180-67.1172.490.9-178.411.6112D27 E28 K35D27-R31 VanDerWaalsContact O-CG 3.23Å; D27-R31 WeakPolarHBondContact O-CG 3.4Å; D27-R31 PolarHBondContact O-N 2.92Å; E28-R31 PolarHBondContact O-N 2.77Å; E28-R31 IonicContact OE2-NH1 3.68Å; R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 3.24Å
32L69.6Low60.3Low79 Ų79101.6 Ų101.641%0.41447%0.472SS..Hα-helixtrans-64.6-43.7170.6-71.5164.1000111.1E28 G29 K35 Y36E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CD1 3.21Å; E28-L32 WeakPolarHBondContact O-CG 3.48Å; E28-L32 PolarHBondContact O-N 3.12Å; G29-L32 PolarHBondContact O-N 3.2Å; L32-K35 PolarHBondContact O-N 2.97Å; L32-Y36 HydrophobicContact CD2-CD2 4.36Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 WeakPolarHBondContact O-CB 3.16Å; L32-Y36 VanDerWaalsContact O-CD2 3.22Å; L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.18Å
33L63.2Low60.9Low19 Ų19102.2 Ų102.210%0.09948%0.475CS..Hα-helixtrans-59.5-50.8175.2-113.861.2000112.2I16 Y25 G29 L30 K35 Y36 L37 L40 P42I16-L33 HydrophobicContact CG2-CD1 3.83Å; Y25-L33 HydrophobicContact CD1-CD2 4.4Å; Y25-L33 HydrophobicContact CE1-CD2 3.77Å; G29-L33 WeakPolarHBondContact O-CB 3.23Å; G29-L33 PolarHBondContact O-N 3.49Å; L30-L33 WeakPolarHBondContact O-CB 3.39Å; L30-L33 PolarHBondContact O-N 3.41Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.1Å; L33-Y36 PolarHBondContact O-N 3.33Å; L33-L37 CarbonylContact O-C 3.44Å; L33-L37 WeakPolarHBondContact O-CA 3.45Å; L33-L37 WeakPolarHBondContact O-CB 3.3Å; L33-L37 PolarHBondContact O-N 3.31Å; L33-L40 HydrophobicContact CD2-CD2 3.58Å; L33-L40 HydrophobicContact CG-CD2 3.74Å; L33-P42 HydrophobicContact CD2-CB 4.41Å
34E68.7Low61.3Low96 Ų9698.6 Ų98.645%0.44946%0.459SS..Hα-helixtrans-67.6-33.1-179.2-168.6167-131.600112.2L30 R47L30-E34 PolarHBondContact O-N 3.1Å; E34-R47 IonicContact OE1-CZ 2.78Å; E34-R47 VanDerWaalsContact OE1-CZ 3.28Å; E34-R47 IonicContact OE1-NH1 3.86Å; E34-R47 PolarHBondContact OE1-NH1 3.18Å; E34-R47 IonicContact OE1-NH2 2.76Å; E34-R47 PolarHBondContact OE1-NH2 2.87Å
35K73.1Confident61.8Low149 Ų14991.2 Ų91.265%0.64844%0.441SS*.Hα-helixtrans-68.5-42175.4-179.7-177.5179.9-175.40113.5R31 L32 L33R31-K35 WeakPolarHBondContact O-CB 3.32Å; R31-K35 PolarHBondContact O-N 3.24Å; L32-K35 PolarHBondContact O-N 2.97Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.1Å
36Y69.3Low61.7Low155 Ų15587.1 Ų87.161%0.60843%0.428SS*.Hα-helixtrans-94.4-23.4-176.6-71.3-65.1000113.7L32 L33L32-Y36 HydrophobicContact CD2-CD2 4.36Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 WeakPolarHBondContact O-CB 3.16Å; L32-Y36 VanDerWaalsContact O-CD2 3.22Å; L32-Y36 WeakPolarHBondContact O-CD2 3.48Å; L32-Y36 PolarHBondContact O-N 3.18Å; L33-Y36 PolarHBondContact O-N 3.33Å
37L67.1Low60.9Low46 Ų4686.1 Ų86.124%0.24142%0.419CS..  trans-136.969.4-177.1-57.5170.2000110.4I12 L33 Y39 L40I12-L37 HydrophobicContact CD1-CD1 4.11Å; I12-L37 HydrophobicContact CD1-CD2 4.25Å; L33-L37 CarbonylContact O-C 3.44Å; L33-L37 WeakPolarHBondContact O-CA 3.45Å; L33-L37 WeakPolarHBondContact O-CB 3.3Å; L33-L37 PolarHBondContact O-N 3.31Å; L37-Y39 PolarHBondContact O-N 3.07Å; L37-L40 HydrophobicContact CB-CB 3.79Å; L37-L40 HydrophobicContact CD1-CD1 4.47Å; L37-L40 HydrophobicContact CD1-CD2 4.14Å; L37-L40 WeakPolarHBondContact O-CB 3.1Å; L37-L40 PolarHBondContact O-N 3.15Å
38P63Low59.9Low67 Ų6786.2 Ų86.244%0.43542%0.42SS..THydrogen-bonded Turntrans-63.7-12.2-179.526-35.9000114.5
39Y60.3Low58.7Low191 Ų19187.9 Ų87.975%0.74942%0.421SS*.THydrogen-bonded Turntrans-90.85171.7-46.9-72.7000113.1L37 R47L37-Y39 PolarHBondContact O-N 3.07Å; Y39-R47 PolarHBondContact O-N 3.41Å
40L57.7Low57.5Low19 Ų1990.2 Ų90.210%0.09943%0.425CS..  trans-96.7142.5172.3-148.182.6000109.1L33 L37 G45 L46L33-L40 HydrophobicContact CD2-CD2 3.58Å; L33-L40 HydrophobicContact CG-CD2 3.74Å; L37-L40 HydrophobicContact CB-CB 3.79Å; L37-L40 HydrophobicContact CD1-CD1 4.47Å; L37-L40 HydrophobicContact CD1-CD2 4.14Å; L37-L40 WeakPolarHBondContact O-CB 3.1Å; L37-L40 PolarHBondContact O-N 3.15Å; L40-G45 WeakPolarHBondContact CD1-O 3.34Å; L40-G45 WeakPolarHBondContact CG-O 3.41Å; L40-L46 HydrophobicContact CD1-CD2 4.09Å
41N59.2Low56.6Low22 Ų2291.9 Ų91.912%0.11843%0.434CS..  trans-108.3123161.5-165.119.8000105.5E43 T44 G45 L46 R47N41-E43 PolarHBondContact O-N 2.62Å; N41-T44 VanDerWaalsContact CB-OG1 3.23Å; N41-T44 WeakPolarHBondContact CB-OG1 3.47Å; N41-T44 PolarHBondContact ND2-N 3.48Å; N41-T44 PolarHBondContact ND2-OG1 3.01Å; N41-G45 CarbonylContact O-C 2.93Å; N41-G45 WeakPolarHBondContact O-CA 3.31Å; N41-G45 PolarHBondContact O-N 2.9Å; N41-L46 VanDerWaalsContact CB-C 3.46Å; N41-L46 WeakPolarHBondContact CB-O 3.42Å; N41-L46 VanDerWaalsContact N-C 3.28Å; N41-L46 PolarHBondContact O-N 3.37Å; N41-R47 HydrophobicContact CB-CB 4.45Å; N41-R47 HydrophobicContact CB-CG 3.59Å; N41-R47 VanDerWaalsContact N-N 3.13Å
42P55.2Low55.6Low30 Ų3086.6 Ų86.620%0.19542%0.42CS..SBendtrans-59.9-32.8174.821.9-32.1000112.1Y25 L30 L33Y25-P42 HydrophobicContact CD2-CB 4.38Å; Y25-P42 HydrophobicContact CE2-CB 4.08Å; L30-P42 HydrophobicContact CD2-CB 3.39Å; L30-P42 HydrophobicContact CD2-CG 3.72Å; L33-P42 HydrophobicContact CD2-CB 4.41Å
43E53.1Low54.1Low176 Ų17688.3 Ų88.382%0.82242%0.421SS*.SBendtrans-76.4-50-178.4-58.1177.6151.900113.7N41 G45N41-E43 PolarHBondContact O-N 2.62Å; E43-G45 VanDerWaalsContact C-N 3.35Å
44T56.2Low53.3Low97 Ų9789.4 Ų89.460%0.59543%0.427SS*.SBendtrans-9816.7-178.661.90000112.7N41 L46N41-T44 VanDerWaalsContact CB-OG1 3.23Å; N41-T44 WeakPolarHBondContact CB-OG1 3.47Å; N41-T44 PolarHBondContact ND2-N 3.48Å; N41-T44 PolarHBondContact ND2-OG1 3.01Å; T44-L46 PolarHBondContact O-N 3.17Å; T44-L46 PolarHBondContact OG1-O 2.68Å
45G53.9Low52.3Low32 Ų3289.8 Ų89.833%0.3344%0.438SS..SBendtrans64.3-20.9-170.400000115.6L40 N41 E43L40-G45 WeakPolarHBondContact CD1-O 3.34Å; L40-G45 WeakPolarHBondContact CG-O 3.41Å; N41-G45 CarbonylContact O-C 2.93Å; N41-G45 WeakPolarHBondContact O-CA 3.31Å; N41-G45 PolarHBondContact O-N 2.9Å; E43-G45 VanDerWaalsContact C-N 3.35Å
46L47.8Very low51.1Low46 Ų4688.4 Ų88.424%0.24144%0.442CS..  trans-155.5130.2-164-60.7169.9000111.9L40 N41 T44 R49L40-L46 HydrophobicContact CD1-CD2 4.09Å; N41-L46 VanDerWaalsContact CB-C 3.46Å; N41-L46 WeakPolarHBondContact CB-O 3.42Å; N41-L46 VanDerWaalsContact N-C 3.28Å; N41-L46 PolarHBondContact O-N 3.37Å; T44-L46 PolarHBondContact O-N 3.17Å; T44-L46 PolarHBondContact OG1-O 2.68Å; L46-R49 HydrophobicContact CB-CB 4.33Å; L46-R49 HydrophobicContact CB-CG 4.27Å; L46-R49 HydrophobicContact CD1-CB 3.94Å; L46-R49 HydrophobicContact CD1-CG 3.85Å; L46-R49 HydrophobicContact CD2-CG 3.93Å; L46-R49 VanDerWaalsContact CD2-NE 3.32Å; L46-R49 HydrophobicContact CG-CG 4.22Å
47R40.7Very low49.9Very low102 Ų10285 Ų8539%0.38544%0.437SS..SBendtrans-95.8116.6164.1-78.4-169.2-178.3150.45107.9E34 Y39 N41E34-R47 IonicContact OE1-CZ 2.78Å; E34-R47 VanDerWaalsContact OE1-CZ 3.28Å; E34-R47 IonicContact OE1-NH1 3.86Å; E34-R47 PolarHBondContact OE1-NH1 3.18Å; E34-R47 IonicContact OE1-NH2 2.76Å; E34-R47 PolarHBondContact OE1-NH2 2.87Å; Y39-R47 PolarHBondContact O-N 3.41Å; N41-R47 HydrophobicContact CB-CB 4.45Å; N41-R47 HydrophobicContact CB-CG 3.59Å; N41-R47 VanDerWaalsContact N-N 3.13Å
48N41.1Very low48.9Very low128 Ų12884.8 Ų84.868%0.68445%0.446SS*.SBendtrans63.736.5171.1-48.4-38.5000116.7M50 M87N48-M50 VanDerWaalsContact C-N 3.28Å; N48-M50 PolarHBondContact O-N 3.19Å; N48-M87 HydrophobicContact CB-CE 4.38Å
49R40.4Very low47.8Very low148 Ų14888 Ų8856%0.55846%0.459SS*.  trans-71.486.9164.2-88.2-150.4-160.5147.56.4111.4L46 I51L46-R49 HydrophobicContact CB-CB 4.33Å; L46-R49 HydrophobicContact CB-CG 4.27Å; L46-R49 HydrophobicContact CD1-CB 3.94Å; L46-R49 HydrophobicContact CD1-CG 3.85Å; L46-R49 HydrophobicContact CD2-CG 3.93Å; L46-R49 VanDerWaalsContact CD2-NE 3.32Å; L46-R49 HydrophobicContact CG-CG 4.22Å; R49-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CG-CG1 4.31Å
50M37.5Very low46.9Very low76 Ų7681.2 Ų81.237%0.37445%0.447SS..  trans-119.957.6146.6-156.1-169.973.500109.4N48 T52 R82N48-M50 VanDerWaalsContact C-N 3.28Å; N48-M50 PolarHBondContact O-N 3.19Å; M50-T52 HydrophobicContact CE-CG2 4.15Å; M50-T52 HydrophobicContact CG-CG2 4.16Å; M50-T52 PolarHBondContact O-N 3.05Å; M50-R82 HydrophobicContact CE-CB 4.01Å; M50-R82 HydrophobicContact SD-CB 3.77Å
51I45.6Very low46.5Very low86 Ų8686.5 Ų86.544%0.44148%0.476SS..  trans-73.178175.7-56.9179.1000107.9R49 R53 P55 L62R49-I51 HydrophobicContact CG-CD1 4.06Å; R49-I51 HydrophobicContact CG-CG1 4.31Å; I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 WeakPolarHBondContact CG2-O 3.5Å; I51-P55 HydrophobicContact CG2-CB 4.42Å; I51-L62 HydrophobicContact CG2-CD1 4Å; I51-L62 WeakPolarHBondContact O-CD1 3.42Å
52T44.1Very low46.1Very low55 Ų5588.3 Ų88.334%0.33749%0.485SS..  trans-76-26.2172.841.50000112.2M50 L62M50-T52 HydrophobicContact CE-CG2 4.15Å; M50-T52 HydrophobicContact CG-CG2 4.16Å; M50-T52 PolarHBondContact O-N 3.05Å; T52-L62 PolarHBondContact O-N 3.42Å
53R40Very low46Very low114 Ų11495 Ų9543%0.4351%0.514SS..BIsolated β-bridgetrans-111.7151.9-179.1-53.8-167.2177114.95.6110.9I51 G58 G60I51-R53 VanDerWaalsContact C-N 3.34Å; I51-R53 WeakPolarHBondContact CG2-O 3.5Å; R53-G58 WeakPolarHBondContact CD-O 3.42Å; R53-G60 VanDerWaalsContact CA-O 3.26Å; R53-G60 WeakPolarHBondContact CA-O 3.18Å; R53-G60 WeakPolarHBondContact CB-O 3.22Å; R53-G60 WeakPolarHBondContact CG-O 3.46Å
54D44.6Very low46.1Very low43 Ų4388.9 Ų88.923%0.2349%0.493CS..  trans-52.3125.4-179.615940.5000111.4V56 T57 G58 L62D54-V56 PolarHBondContact O-N 3.1Å; D54-V56 VanDerWaalsContact O-N 3.15Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.09Å; D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 VanDerWaalsContact OD2-CB 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.46Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.25Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 3.44Å; D54-G58 WeakPolarHBondContact O-CA 3.28Å; D54-G58 PolarHBondContact O-N 3.43Å; D54-L62 HydrophobicContact CB-CD2 4.4Å
55P47.5Very low46.3Very low103 Ų10389.3 Ų89.367%0.66949%0.488SS*.THydrogen-bonded Turntrans-66.4-11.3-179.528.6-36.5000114.1I51I51-P55 HydrophobicContact CG2-CB 4.42Å
56V49.3Very low45.9Very low121 Ų12194.4 Ų94.473%0.73350%0.497SS*.THydrogen-bonded Turntrans-88.1-36.7176.7-174.80000112.3D54D54-V56 PolarHBondContact O-N 3.1Å; D54-V56 VanDerWaalsContact O-N 3.15Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.09Å
57T44.7Very low46.3Very low82 Ų8293.1 Ų93.150%0.50349%0.491SS..THydrogen-bonded Turntrans-114.1-17.7-175.460.70000115.3D54 L59D54-T57 PolarHBondContact O-N 2.83Å; D54-T57 VanDerWaalsContact OD2-CB 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.46Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.25Å; D54-T57 PolarHBondContact OD2-N 3.36Å; D54-T57 PolarHBondContact OD2-OG1 3.44Å; T57-L59 WeakPolarHBondContact O-CG 3.48Å; T57-L59 PolarHBondContact O-N 2.99Å; T57-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 PolarHBondContact OG1-O 2.87Å
58G45.6Very low46.2Very low43 Ų4393.4 Ų93.444%0.44351%0.506SS..SBendtrans658.8-174.700000114.7R53 D54R53-G58 WeakPolarHBondContact CD-O 3.42Å; D54-G58 WeakPolarHBondContact O-CA 3.28Å; D54-G58 PolarHBondContact O-N 3.43Å
59L38.7Very low46.4Very low135 Ų13593.2 Ų93.271%0.70750%0.504SS*.  trans-132.4140.3-167.1-71.3170.4000111.6T57T57-L59 WeakPolarHBondContact O-CG 3.48Å; T57-L59 PolarHBondContact O-N 2.99Å; T57-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 PolarHBondContact OG1-O 2.87Å
60G41.6Very low47Very low48 Ų4891.8 Ų91.850%0.49551%0.508SS..SBendtrans80.1147.7-17300000112.7R53R53-G60 VanDerWaalsContact CA-O 3.26Å; R53-G60 WeakPolarHBondContact CA-O 3.18Å; R53-G60 WeakPolarHBondContact CB-O 3.22Å; R53-G60 WeakPolarHBondContact CG-O 3.46Å
61D49.6Very low47.4Very low130 Ų13090.5 Ų90.570%0.69551%0.514SS*.BIsolated β-bridgetrans-72.6131.2170.2-60.4-44.5000108.6E63D61-E63 PolarHBondContact O-N 2.79Å
62L51.5Low47.5Very low60 Ų6089.3 Ų89.331%0.31451%0.513SS..PPolyproline II helixtrans-55.1128.9175.4-91.8156.7000109.7I51 T52 D54 R76I51-L62 HydrophobicContact CG2-CD1 4Å; I51-L62 WeakPolarHBondContact O-CD1 3.42Å; T52-L62 PolarHBondContact O-N 3.42Å; D54-L62 HydrophobicContact CB-CD2 4.4Å; L62-R76 PolarHBondContact O-NH1 2.96Å
63E51.5Low48.2Very low171 Ų17191.8 Ų91.880%0.79952%0.52SS*.PPolyproline II helixtrans-55157.8178.5-65.3-168.3157.500111.9D61 E65D61-E63 PolarHBondContact O-N 2.79Å; E63-E65 PolarHBondContact O-N 2.94Å
64A56.5Low49.1Very low47 Ų4789.9 Ų89.939%0.38852%0.518SS..  trans-58.2110.8-178.400000109.9W66 H73A64-W66 PolarHBondContact O-N 3.44Å; A64-H73 HydrophobicContact CB-CB 3.82Å; A64-H73 PolarHBondContact O-ND1 3.19Å
65E59.8Low49.6Very low106 Ų10699.1 Ų99.150%0.49555%0.55SS.*  trans-56.8125.2-166.6-173.2168.7-175.700111.2E63 N67 H73 L74 R76E63-E65 PolarHBondContact O-N 2.94Å; E65-N67 PolarHBondContact O-N 2.97Å; E65-H73 CarbonylContact O-C 3.49Å; E65-H73 WeakPolarHBondContact O-CA 3.4Å; E65-L74 HydrophobicContact CB-CB 4.4Å; E65-L74 HydrophobicContact CB-CD1 4.14Å; E65-L74 HydrophobicContact CG-CD1 4.27Å; E65-L74 VanDerWaalsContact O-CD1 3.22Å; E65-L74 WeakPolarHBondContact O-CD1 3.17Å; E65-L74 PolarHBondContact O-N 3.48Å; E65-R76 IonicContact OE2-NH2 3.36Å
66W46Very low49.9Very low138 Ų13898.9 Ų98.952%0.52354%0.536SS..EExtended strand (participates in β ladder)trans-74.2124.4-176.5177.1-115.7000110.5A64 P68 G71 C72 H73A64-W66 PolarHBondContact O-N 3.44Å; W66-P68 WeakPolarHBondContact O-CD 3.27Å; W66-G71 VanDerWaalsContact CH2-O 3.25Å; W66-G71 WeakPolarHBondContact CH2-O 3.23Å; W66-C72 VanDerWaalsContact CZ3-C 3.48Å; W66-C72 VanDerWaalsContact CZ3-CA 3.46Å; W66-H73 AromaticContact CE3-CD2 3.82Å; W66-H73 AromaticContact CE3-CE1 3.87Å; W66-H73 AromaticContact CE3-CG 3.86Å; W66-H73 AromaticContact CE3-ND1 3.88Å; W66-H73 AromaticContact CE3-NE2 3.83Å; W66-H73 AromaticContact CZ3-CD2 3.97Å
67N55.1Low50Low20 Ų20102 Ų10211%0.10753%0.534CS..EExtended strand (participates in β ladder)trans-92.4105174.6-167.2-38.6000110.4E65 L69 N70 G71 C72 L74E65-N67 PolarHBondContact O-N 2.97Å; N67-L69 PolarHBondContact O-N 3.07Å; N67-L69 WeakPolarHBondContact OD1-CA 3.01Å; N67-L69 WeakPolarHBondContact OD1-CB 3.45Å; N67-L69 PolarHBondContact OD1-N 3.39Å; N67-N70 HydrophobicContact CB-CB 4.11Å; N67-N70 PolarHBondContact ND2-ND2 2.93Å; N67-N70 PolarHBondContact O-N 3.49Å; N67-N70 PolarHBondContact OD1-N 3.21Å; N67-N70 VanDerWaalsContact OD1-N 3.09Å; N67-G71 PolarHBondContact O-N 2.83Å; N67-C72 VanDerWaalsContact CB-O 3.23Å; N67-C72 WeakPolarHBondContact CB-O 3.08Å; N67-C72 PolarHBondContact N-O 3.3Å; N67-L74 HydrophobicContact CB-CD1 3.72Å
68P40.3Very low50.2Low107 Ų107107.9 Ų107.970%0.69556%0.556SS**THydrogen-bonded Turntrans-67.9-18.7179.729.3-36.3000113.5W66W66-P68 WeakPolarHBondContact O-CD 3.27Å
69L45.3Very low50.4Low125 Ų125111.8 Ų111.865%0.65456%0.56SS**THydrogen-bonded Turntrans-84.5-33.2178-56.5176.1000112.5N67 T100N67-L69 PolarHBondContact O-N 3.07Å; N67-L69 WeakPolarHBondContact OD1-CA 3.01Å; N67-L69 WeakPolarHBondContact OD1-CB 3.45Å; N67-L69 PolarHBondContact OD1-N 3.39Å; L69-T100 HydrophobicContact CD1-CG2 4.2Å; L69-T100 WeakPolarHBondContact CD1-OG1 3.09Å
70N51.2Low50.9Low117 Ų117107.5 Ų107.563%0.62654%0.541SS*.THydrogen-bonded Turntrans-99.8-10.9-177.1-71.2-9.6000114.2N67 C72N67-N70 HydrophobicContact CB-CB 4.11Å; N67-N70 PolarHBondContact ND2-ND2 2.93Å; N67-N70 PolarHBondContact O-N 3.49Å; N67-N70 PolarHBondContact OD1-N 3.21Å; N67-N70 VanDerWaalsContact OD1-N 3.09Å; N70-C72 PolarHBondContact O-N 3.4Å
71G46.4Very low51.4Low50 Ų50114.4 Ų114.452%0.51556%0.56SS.*THydrogen-bonded Turntrans63.429.1-177.200000113.3W66 N67W66-G71 VanDerWaalsContact CH2-O 3.25Å; W66-G71 WeakPolarHBondContact CH2-O 3.23Å; N67-G71 PolarHBondContact O-N 2.83Å
72C47.4Very low51.4Low61 Ų61111.2 Ų111.241%0.41254%0.538SS..EExtended strand (participates in β ladder)trans-145.7152.2178.968.10000111.4W66 N67 N70W66-C72 VanDerWaalsContact CZ3-C 3.48Å; W66-C72 VanDerWaalsContact CZ3-CA 3.46Å; N67-C72 VanDerWaalsContact CB-O 3.23Å; N67-C72 WeakPolarHBondContact CB-O 3.08Å; N67-C72 PolarHBondContact N-O 3.3Å; N70-C72 PolarHBondContact O-N 3.4Å
73H59.8Low51.3Low106 Ų106111.9 Ų111.949%0.49154%0.542SS..EExtended strand (participates in β ladder)trans-68.9134.7169-65-86.3000109.9A64 E65 W66 R75A64-H73 HydrophobicContact CB-CB 3.82Å; A64-H73 PolarHBondContact O-ND1 3.19Å; E65-H73 CarbonylContact O-C 3.49Å; E65-H73 WeakPolarHBondContact O-CA 3.4Å; W66-H73 AromaticContact CE3-CD2 3.82Å; W66-H73 AromaticContact CE3-CE1 3.87Å; W66-H73 AromaticContact CE3-CG 3.86Å; W66-H73 AromaticContact CE3-ND1 3.88Å; W66-H73 AromaticContact CE3-NE2 3.83Å; W66-H73 AromaticContact CZ3-CD2 3.97Å; H73-R75 PolarHBondContact O-N 3.5Å
74L58Low51.4Low74 Ų74107.2 Ų107.239%0.38753%0.527SS..  trans-59.4108.3167.9-80.396.5000108.5E65 N67 R76E65-L74 HydrophobicContact CB-CB 4.4Å; E65-L74 HydrophobicContact CB-CD1 4.14Å; E65-L74 HydrophobicContact CG-CD1 4.27Å; E65-L74 VanDerWaalsContact O-CD1 3.22Å; E65-L74 WeakPolarHBondContact O-CD1 3.17Å; E65-L74 PolarHBondContact O-N 3.48Å; N67-L74 HydrophobicContact CB-CD1 3.72Å; L74-R76 PolarHBondContact O-N 2.98Å
75R55.1Low51Low238 Ų238112.5 Ų112.590%0.89855%0.547SS*.  trans-65.789.8163.2-74-173.7173.4-170.6-2.3108.4H73 R77H73-R75 PolarHBondContact O-N 3.5Å; R75-R77 PolarHBondContact O-N 3.41Å
76R53.6Low50.7Low97 Ų97114.7 Ų114.737%0.36655%0.55SS.*  trans-50.3111162.5-69.3-173.1179.41555107.2L62 E65 L74 F79L62-R76 PolarHBondContact O-NH1 2.96Å; E65-R76 IonicContact OE2-NH2 3.36Å; L74-R76 PolarHBondContact O-N 2.98Å; R76-F79 HydrophobicContact CB-CD2 4.32Å; R76-F79 HydrophobicContact CB-CE2 3.85Å; R76-F79 HydrophobicContact CG-CE2 4.03Å
77R51.9Low51Low188 Ų188111.8 Ų111.871%0.70954%0.543SS*.  trans-61.2157.4168.2-61.6-175-175.5-171.93.9107.3R75 F79R75-R77 PolarHBondContact O-N 3.41Å; R77-F79 VanDerWaalsContact O-CD2 3.27Å; R77-F79 WeakPolarHBondContact O-CD2 3.2Å; R77-F79 PolarHBondContact O-N 3.23Å
78H49.5Very low50.9Low204 Ų204115.7 Ų115.794%0.94456%0.561SS**  trans-56108.2175.3-82.3-75.9000109.7
79F49.9Very low51.8Low125 Ų125112.5 Ų112.555%0.54855%0.548SS..  trans-76.6148.5174.3-75.8-77.6000109.7R76 R77R76-F79 HydrophobicContact CB-CD2 4.32Å; R76-F79 HydrophobicContact CB-CE2 3.85Å; R76-F79 HydrophobicContact CG-CE2 4.03Å; R77-F79 VanDerWaalsContact O-CD2 3.27Å; R77-F79 WeakPolarHBondContact O-CD2 3.2Å; R77-F79 PolarHBondContact O-N 3.23Å
80P49.5Very low51.9Low45 Ų45112.3 Ų112.329%0.29255%0.547SS..  trans-58.2145176.524-33.5000111.3R82 D90P80-R82 PolarHBondContact O-N 2.77Å; P80-D90 HydrophobicContact CB-CB 3.95Å; P80-D90 WeakPolarHBondContact CB-O 3.18Å; P80-D90 HydrophobicContact CG-CB 4.49Å; P80-D90 WeakPolarHBondContact CG-O 3.38Å
81H51.4Low52Low194 Ų194112.5 Ų112.590%0.89855%0.546SS*.  trans-8090.7-174.7-156.159.3000109.8
82R49.6Very low52.1Low63 Ų63111.7 Ų111.724%0.23854%0.538CS..  trans-97129.8178-160.2178-171166.76.7110.8M50 P80 P84 M87 E88M50-R82 HydrophobicContact CE-CB 4.01Å; M50-R82 HydrophobicContact SD-CB 3.77Å; P80-R82 PolarHBondContact O-N 2.77Å; R82-P84 WeakPolarHBondContact O-CD 3.41Å; R82-M87 VanDerWaalsContact CZ-O 3.31Å; R82-M87 PolarHBondContact NE-O 3.39Å; R82-M87 PolarHBondContact NH2-O 3.42Å; R82-E88 WeakPolarHBondContact CA-O 3.38Å; R82-E88 VanDerWaalsContact CG-O 3.26Å; R82-E88 WeakPolarHBondContact CG-O 3.45Å
83D49.4Very low52.2Low73 Ų73114.3 Ų114.339%0.3955%0.552SS.*  trans-81.5110.1-174.7-166.9-1.1000110I85 R86 M87 E88D83-I85 PolarHBondContact O-N 2.77Å; D83-R86 HydrophobicContact CB-CB 4.31Å; D83-R86 PolarHBondContact O-N 2.83Å; D83-R86 VanDerWaalsContact O-N 3.08Å; D83-R86 WeakPolarHBondContact OD2-CD 3.49Å; D83-M87 PolarHBondContact O-N 3.12Å; D83-E88 PolarHBondContact N-O 3.05Å
84P54.5Low51.2Low74 Ų74117 Ų11748%0.48157%0.565SS.*THydrogen-bonded Turntrans-69.3-11.6-165.428.4-36.8000114.3R82R82-P84 WeakPolarHBondContact O-CD 3.41Å
85I46.8Very low50.1Low158 Ų158120.4 Ų120.481%0.8157%0.574SS**THydrogen-bonded Turntrans-89.2-36174.9-61.4174.1000111D83D83-I85 PolarHBondContact O-N 2.77Å
86R54.2Low49.5Very low151 Ų151114.1 Ų114.157%0.5756%0.558SS**THydrogen-bonded Turntrans-98.1-19.4-172.5-58.8178.567.7171-7.7113.2D83 E88D83-R86 HydrophobicContact CB-CB 4.31Å; D83-R86 PolarHBondContact O-N 2.83Å; D83-R86 VanDerWaalsContact O-N 3.08Å; D83-R86 WeakPolarHBondContact OD2-CD 3.49Å; R86-E88 HydrophobicContact CB-CB 4.09Å; R86-E88 HydrophobicContact CB-CG 3.94Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.54Å; R86-E88 VanDerWaalsContact NE-CD 3.25Å; R86-E88 IonicContact NE-OE1 3.57Å; R86-E88 PolarHBondContact NE-OE1 3.02Å; R86-E88 IonicContact NE-OE2 2.63Å; R86-E88 PolarHBondContact NE-OE2 2.87Å; R86-E88 IonicContact NH2-OE1 2.72Å; R86-E88 PolarHBondContact NH2-OE1 2.83Å; R86-E88 IonicContact NH2-OE2 3.89Å; R86-E88 PolarHBondContact NH2-OE2 3.17Å; R86-E88 PolarHBondContact O-N 2.91Å; R86-E88 VanDerWaalsContact O-N 3.12Å
87M51.2Low48.8Very low77 Ų77113.5 Ų113.538%0.37957%0.567SS.*  trans57.713.8-168.1-60.8-67.7-76.500113.9N48 R82 D83N48-M87 HydrophobicContact CB-CE 4.38Å; R82-M87 VanDerWaalsContact CZ-O 3.31Å; R82-M87 PolarHBondContact NE-O 3.39Å; R82-M87 PolarHBondContact NH2-O 3.42Å; D83-M87 PolarHBondContact O-N 3.12Å
88E53.3Low48.2Very low103 Ų103110.8 Ų110.848%0.48157%0.566SS.*  trans-81.5140.1174.5-70.4172.2-137.900110.5R82 D83 R86R82-E88 WeakPolarHBondContact CA-O 3.38Å; R82-E88 VanDerWaalsContact CG-O 3.26Å; R82-E88 WeakPolarHBondContact CG-O 3.45Å; D83-E88 PolarHBondContact N-O 3.05Å; R86-E88 HydrophobicContact CB-CB 4.09Å; R86-E88 HydrophobicContact CB-CG 3.94Å; R86-E88 IonicContact CZ-OE1 2.68Å; R86-E88 IonicContact CZ-OE2 3.54Å; R86-E88 VanDerWaalsContact NE-CD 3.25Å; R86-E88 IonicContact NE-OE1 3.57Å; R86-E88 PolarHBondContact NE-OE1 3.02Å; R86-E88 IonicContact NE-OE2 2.63Å; R86-E88 PolarHBondContact NE-OE2 2.87Å; R86-E88 IonicContact NH2-OE1 2.72Å; R86-E88 PolarHBondContact NH2-OE1 2.83Å; R86-E88 IonicContact NH2-OE2 3.89Å; R86-E88 PolarHBondContact NH2-OE2 3.17Å; R86-E88 PolarHBondContact O-N 2.91Å; R86-E88 VanDerWaalsContact O-N 3.12Å
89G59.3Low47.4Very low40 Ų40108.5 Ų108.541%0.41255%0.55SS.*SBendtrans130.8156.1-175.600000111.8
90D48.4Very low46.6Very low120 Ų120107.2 Ų107.264%0.64255%0.553SS**  trans-61.9141.2179.2-171.9-1000110.9P80 G92P80-D90 HydrophobicContact CB-CB 3.95Å; P80-D90 WeakPolarHBondContact CB-O 3.18Å; P80-D90 HydrophobicContact CG-CB 4.49Å; P80-D90 WeakPolarHBondContact CG-O 3.38Å; D90-G92 PolarHBondContact OD1-N 3.26Å
91M52.4Low45.8Very low121 Ų121109.1 Ų109.160%0.59656%0.564SS**  trans-79.3-26.7-178.1-55.7-142.1-54.500112.2
92G49.4Very low45.2Very low34 Ų34109.6 Ų109.635%0.35156%0.563SS.*  trans67.3-177.3-175.900000113.7D90 E94D90-G92 PolarHBondContact OD1-N 3.26Å; G92-E94 PolarHBondContact O-N 3.16Å
93T48.6Very low44.4Very low116 Ų116115.6 Ų115.671%0.71259%0.594SS**  trans-80.1114.9175.854.50000110.4Y95T93-Y95 PolarHBondContact O-N 3.23Å
94E40Very low43.6Very low161 Ų161118.7 Ų118.775%0.75261%0.61SS**  trans-62.4104.4-178.5-64.3-177.1-172.700112.1G92 N96G92-E94 PolarHBondContact O-N 3.16Å; E94-N96 PolarHBondContact O-N 2.84Å
95Y34.9Very low42.7Very low147 Ų147121 Ų12158%0.57662%0.623SS**  trans-79.598.3172.3-92.7-82.2000110.1T93 C97T93-Y95 PolarHBondContact O-N 3.23Å; Y95-C97 PolarHBondContact O-N 3.1Å
96N41.9Very low42Very low105 Ų105119.3 Ų119.356%0.56162%0.623SS**  trans-69.789.5178-167.9-12.7000111.2E94 L98 Y99E94-N96 PolarHBondContact O-N 2.84Å; N96-L98 PolarHBondContact O-N 2.73Å; N96-Y99 PolarHBondContact O-N 2.82Å
97C39Very low41.1Very low84 Ų84121 Ų12157%0.56864%0.635SS**THydrogen-bonded Turntrans-68.91.7-171.156.60000115.6Y95Y95-C97 PolarHBondContact O-N 3.1Å
98L39.7Very low40.4Very low131 Ų131124.6 Ų124.669%0.68666%0.655SS**THydrogen-bonded Turntrans-88.2-8.3174.7-63.5176.7000113.8N96N96-L98 PolarHBondContact O-N 2.73Å
99Y33Very low39.5Very low157 Ų157131 Ų13162%0.61668%0.675SS**  trans-114.884.7179.7-69.4-79.5000112.7N96 T101N96-Y99 PolarHBondContact O-N 2.82Å; Y99-T101 PolarHBondContact O-N 2.85Å
100T32.8Very low38.4Very low98 Ų98134.7 Ų134.760%0.60169%0.69SS**  trans-76.745.8165.556.40000111.9L69L69-T100 HydrophobicContact CD1-CG2 4.2Å; L69-T100 WeakPolarHBondContact CD1-OG1 3.09Å
101T33Very low37.7Very low84 Ų84135.7 Ų135.752%0.51570%0.695SS.*SBendtrans-136110.4-178.950.20000110.3Y99Y99-T101 PolarHBondContact O-N 2.85Å
102K37.1Very low36.9Very low205 Ų205135.6 Ų135.689%0.89170%0.702SS**SBendtrans14.2106.9161.2-59.6173.9-175.2173.50115.8L104K102-L104 PolarHBondContact O-N 3.18Å
103E32.8Very low36.1Very low189 Ų189140.2 Ų140.288%0.88372%0.723SS**  trans-5.679.6167.1-64.5178.7171.500115.3T105E103-T105 VanDerWaalsContact C-N 3.26Å; E103-T105 PolarHBondContact O-N 3.16Å
104L33.7Very low35.7Very low137 Ų137142 Ų14272%0.71773%0.728SS**  trans-71.393.3167.1-77.9174000106.9K102 C106K102-L104 PolarHBondContact O-N 3.18Å; L104-C106 VanDerWaalsContact C-N 3.27Å; L104-C106 PolarHBondContact O-N 2.84Å
105T35.1Very low35.4Very low123 Ų123140.3 Ų140.376%0.75573%0.729SS**  trans-60.994.9166.331.50000107.7E103 K107E103-T105 VanDerWaalsContact C-N 3.26Å; E103-T105 PolarHBondContact O-N 3.16Å; T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 2.78Å
106C31.9Very low35.5Very low122 Ų122141.1 Ų141.182%0.82474%0.743SS**  trans-61.394.1175.1-66.30000108.5L104L104-C106 VanDerWaalsContact C-N 3.27Å; L104-C106 PolarHBondContact O-N 2.84Å
107K35.7Very low35Very low188 Ų188147.7 Ų147.782%0.81776%0.762SS**  trans-58137.6166.9-66.5-179.8178.4178.80107.9T105 R109T105-K107 VanDerWaalsContact C-N 3.31Å; T105-K107 PolarHBondContact O-N 2.78Å; K107-R109 PolarHBondContact O-N 3.01Å
108D36.6Very low34.9Very low151 Ų151149.1 Ų149.181%0.80777%0.773SS**  trans-51.9131.9176.6-61.2-64.9000110.3V110D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 3.04Å
109R34.1Very low34.5Very low237 Ų237150.8 Ų150.889%0.89478%0.783SS**  trans-66.996.5172-80.6-178.7169.7173.1-5.3108K107 N111K107-R109 PolarHBondContact O-N 3.01Å; R109-N111 PolarHBondContact O-N 2.8Å; R109-N111 VanDerWaalsContact O-N 3.15Å
110V37.6Very low34.5Very low119 Ų119146.7 Ų146.772%0.72179%0.788SS**  trans-62.8114.3168.4-177.40000107.3D108 T112D108-V110 VanDerWaalsContact C-N 3.34Å; D108-V110 PolarHBondContact O-N 3.04Å; V110-T112 VanDerWaalsContact C-N 3.28Å; V110-T112 HydrophobicContact CG1-CG2 4.11Å; V110-T112 PolarHBondContact O-N 3.44Å
111N31.9Very low34.4Very low140 Ų140153.1 Ų153.175%0.74980%0.803SS**  trans-71.581.6178.8-74.4-20.3000110.5R109 T113R109-N111 PolarHBondContact O-N 2.8Å; R109-N111 VanDerWaalsContact O-N 3.15Å; N111-T113 PolarHBondContact O-N 2.85Å; N111-T113 VanDerWaalsContact O-N 3.14Å
112T36.9Very low34.6Very low120 Ų120158.9 Ų158.974%0.73682%0.821SS**  trans-84.171.1167.356.10000109.9V110 D114V110-T112 VanDerWaalsContact C-N 3.28Å; V110-T112 HydrophobicContact CG1-CG2 4.11Å; V110-T112 PolarHBondContact O-N 3.44Å; T112-D114 PolarHBondContact O-N 2.93Å
113T32.3Very low34.3Very low130 Ų130159.5 Ų159.580%0.79882%0.819SS**  trans-73.880.3160.549.20000108.9N111N111-T113 PolarHBondContact O-N 2.85Å; N111-T113 VanDerWaalsContact O-N 3.14Å
114D39.5Very low34.5Very low155 Ų155155.3 Ų155.383%0.82981%0.806SS**  trans-140.2124.1163.1-99.7-44.8000109.9T112T112-D114 PolarHBondContact O-N 2.93Å
115T34.4Very low34.5Very low125 Ų125156.1 Ų156.177%0.76781%0.811SS**  trans-78.2135.6-176.748.80000111.5
116N37.5Very low34.8Very low164 Ų164157.3 Ų157.388%0.87781%0.808SS**  trans-162.4133.6132.3-97.5-46.4000111.4
117Y31.8Very low35.1Very low243 Ų243159.8 Ų159.895%0.95381%0.812SS**  trans-76127.4175.4-90.5-107.8000110.6
118S35.3Very low35.1Very low113 Ų113157.6 Ų157.679%0.7981%0.809SS**  trans-152.9131.6160.4-1720000109.7
119N32.5Very low35Very low167 Ų167157.8 Ų157.889%0.89381%0.81SS**  trans-66.6134.1176.4-81.5-18.5000110.4
120G32.6Very low35.2Very low70 Ų70153.8 Ų153.872%0.72280%0.8SS**  trans-170.974.6-178.200000113F122G120-F122 PolarHBondContact O-N 2.88Å; G120-F122 VanDerWaalsContact O-N 3.09Å
121Y31.4Very low35.1Very low234 Ų234156 Ų15692%0.91881%0.807SS**  trans-63103.8163.2-100.6-106.5000109
122F36.1Very low35.5Very low205 Ų205157.3 Ų157.390%0.89981%0.809SS**  trans-146.9109.4152.9-88.6-66.6000110.7G120G120-F122 PolarHBondContact O-N 2.88Å; G120-F122 VanDerWaalsContact O-N 3.09Å
123Y31.6Very low35.4Very low218 Ų218157.7 Ų157.786%0.85581%0.807SS**  trans-93.8159.5160.9-145-95.9000108.1
124V35.9Very low35.6Very low101 Ų101159.5 Ų159.561%0.61280%0.803SS**  trans69.2115.3-175-169.20000113.3
125D34.7Very low35.5Very low153 Ų153159.6 Ų159.682%0.81880%0.798SS**  trans-133.5140.3135.9-144.2-15.7000111.5
126H39.9Very low35.4Very low148 Ų148157.4 Ų157.469%0.68579%0.788SS**  trans-66.2144.3-151.2-68.1-80.1000117N128H126-N128 PolarHBondContact O-N 3.4Å
127L39.9Very low35.5Very low174 Ų174156.5 Ų156.591%0.91178%0.783SS**  trans-58.9121.8154.9-83168.5000109.5N129L127-N129 PolarHBondContact O-N 2.99Å
128N34.1Very low36.2Very low143 Ų143152.4 Ų152.477%0.76578%0.778SS**  trans-44.1120.3178.8-78.7-89000113.5H126H126-N128 PolarHBondContact O-N 3.4Å
129N35.3Very low36.1Very low155 Ų155154 Ų15483%0.82978%0.777SS**  trans-134.389.9151.1-166.717.1000109L127L127-N129 PolarHBondContact O-N 2.99Å
130K38.7Very low36.4Very low153 Ų153156.6 Ų156.667%0.66578%0.776SS**  trans-73.5128.8177.8-66.6-173.4175.9-168.40109.9
131N35.9Very low36.7Very low164 Ų164159.9 Ų159.988%0.87778%0.777SS**  trans-154.3110.6141.4-99.9-21.4000110.6
132E39.2Very low36.7Very low168 Ų168152.8 Ų152.879%0.78576%0.762SS**  trans-65.9162.7162.3-67.6158.8-144.600110.1
133N35.1Very low36.5Very low129 Ų129149.7 Ų149.769%0.6976%0.755SS**  cis-176.6160.2-21.2-1783.1000106
134K36.8Very low36.7Very low168 Ų168146.9 Ų146.973%0.7376%0.755SS**  trans70.6154.1173.6-43.3175.5-1751790115.3
135H36.7Very low36.5Very low157 Ų157149.6 Ų149.673%0.72777%0.766SS**  cis-128.4147.7-9.8-107.4-77.8000106.4
136S33Very low36.6Very low79 Ų79149.9 Ų149.955%0.55277%0.767SS**  40.9133.394.698.10000114.8
137D39.2Very low36.3Very low144 Ų144148.2 Ų148.277%0.7777%0.767SS**  cis-139.4-139.218.8-72.7-82.3000112.8
138D46.3Very low36.2Very low157 Ų157147.7 Ų147.784%0.8476%0.76SS**  trans75.272.4170.2-62.1-17000120.2Y140D138-Y140 PolarHBondContact O-N 3.3Å
139N33.9Very low36.3Very low146 Ų146147.1 Ų147.178%0.78175%0.753SS**  trans-41.7119.8151.3165.726.9000114.2
140Y38.5Very low36.5Very low222 Ų222145.5 Ų145.587%0.87174%0.744SS**  trans-145.595.6158.4-115.5-77.3000114.6D138D138-Y140 PolarHBondContact O-N 3.3Å
141N37.6Very low36.5Very low139 Ų139148.4 Ų148.474%0.74375%0.752SS**  trans52.7132.5147.3-153.516.4000121.2
142S31.5Very low36.8Very low85 Ų85145.3 Ų145.359%0.59474%0.74SS**  trans-64.2136.7172177.40000112.4
143N31.6Very low37.4Very low141 Ų141145.7 Ų145.775%0.75474%0.742SS**  171.1101119.8-84.7-10.8000110.9
144N36.6Very low37.8Very low159 Ų159146.1 Ų146.185%0.8574%0.744SS**  trans-159.9132.6149.3-109.2-41.6000111.4N146N144-N146 PolarHBondContact O-N 3.18Å
145N31.1Very low38.4Very low158 Ų158143.2 Ų143.285%0.84573%0.728SS**  trans-74.5116.2-177.7-56.6-28.4000109.7
146N36.9Very low39.2Very low158 Ų158139.1 Ų139.185%0.84571%0.712SS**  trans-128.488.2162.6-90.2-26.3000107.7N144 H148N144-N146 PolarHBondContact O-N 3.18Å; N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 2.85Å
147T34.3Very low40.4Very low113 Ų113140.7 Ų140.769%0.69372%0.72SS**  trans-69.591.9161.7470000107.4E149T147-E149 WeakPolarHBondContact CB-OE1 3.13Å; T147-E149 PolarHBondContact O-N 2.92Å; T147-E149 PolarHBondContact OG1-OE1 3.25Å
148H36.9Very low41.3Very low163 Ų163141.1 Ų141.176%0.75572%0.721SS**  trans-7477.5165.5-175.6-69.5000107.4N146 D150N146-H148 VanDerWaalsContact C-N 3.26Å; N146-H148 PolarHBondContact O-N 2.85Å; H148-D150 PolarHBondContact O-N 2.93Å; H148-D150 VanDerWaalsContact O-N 3.14Å
149E37.7Very low42.1Very low131 Ų131137.1 Ų137.161%0.61270%0.702SS**  trans-65.8111.5177.1-72.3166.9-143.200108.3T147 Y151T147-E149 WeakPolarHBondContact CB-OE1 3.13Å; T147-E149 PolarHBondContact O-N 2.92Å; T147-E149 PolarHBondContact OG1-OE1 3.25Å; E149-Y151 PolarHBondContact O-N 3.15Å
150D40Very low43.3Very low122 Ų122136.3 Ų136.365%0.65270%0.697SS**  trans-59.6125165.1-85.3-38.6000107.9H148 T152H148-D150 PolarHBondContact O-N 2.93Å; H148-D150 VanDerWaalsContact O-N 3.14Å; D150-T152 PolarHBondContact O-N 3.27Å; D150-T152 PolarHBondContact O-OG1 2.69Å
151Y37.8Very low43.8Very low213 Ų213132.8 Ų132.884%0.83569%0.689SS**  trans-75.956173.2-88.1-109.7000110.3E149 Q153E149-Y151 PolarHBondContact O-N 3.15Å; Y151-Q153 PolarHBondContact O-N 2.9Å
152T42.9Very low44.9Very low100 Ų100127.7 Ų127.761%0.61367%0.669SS**  trans-63117.1156.640.20000107.3D150 D154D150-T152 PolarHBondContact O-N 3.27Å; D150-T152 PolarHBondContact O-OG1 2.69Å; T152-D154 PolarHBondContact O-N 2.99Å
153Q50.7Low45.9Very low176 Ų176130.8 Ų130.882%0.82268%0.679SS**  trans-74.880.6-178-66.6-179.3-56.600109.7Y151 R155Y151-Q153 PolarHBondContact O-N 2.9Å; Q153-R155 PolarHBondContact O-N 2.75Å
154D43.9Very low47.1Very low138 Ų138129.4 Ų129.474%0.73867%0.671SS**  trans-69.473.1173.6-74.8-12.5000110.3T152T152-D154 PolarHBondContact O-N 2.99Å
155R48.6Very low48Very low106 Ų106124.1 Ų124.140%0.465%0.654SS.*  trans-97.3109158.8-88.3-177.2163.4-125.5-23.6108Q153 P157 G162 D163Q153-R155 PolarHBondContact O-N 2.75Å; R155-P157 VanDerWaalsContact O-CD 3.3Å; R155-P157 WeakPolarHBondContact O-CD 3.47Å; R155-G162 PolarHBondContact NE-O 3.04Å; R155-G162 VanDerWaalsContact NE-O 3.12Å; R155-G162 PolarHBondContact NH2-O 3.14Å; R155-D163 PolarHBondContact NE-O 3.11Å
156D53.9Low49.1Very low72 Ų72124.5 Ų124.539%0.38565%0.651SS.*  trans-63113.8167166.921.8000108.4I158 T159 L160 Q161D156-I158 PolarHBondContact O-N 2.82Å; D156-I158 VanDerWaalsContact O-N 3.1Å; D156-I158 PolarHBondContact OD1-N 3.17Å; D156-I158 VanDerWaalsContact OD1-N 3.17Å; D156-T159 WeakPolarHBondContact CB-OG1 3.29Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD2-CB 3.39Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.32Å; D156-T159 PolarHBondContact OD2-N 2.85Å; D156-T159 PolarHBondContact OD2-OG1 3.38Å; D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.09Å; D156-Q161 PolarHBondContact N-O 3.48Å
157P59.4Low49.9Very low112 Ų112124.8 Ų124.873%0.72765%0.647SS**THydrogen-bonded Turntrans-69.1-11.7-171.129.5-36.2000113R155R155-P157 VanDerWaalsContact O-CD 3.3Å; R155-P157 WeakPolarHBondContact O-CD 3.47Å
158I57.4Low50.8Low153 Ų153126.7 Ų126.779%0.78565%0.652SS**THydrogen-bonded Turntrans-88.7-42179.4-58.8177.4000111D156D156-I158 PolarHBondContact O-N 2.82Å; D156-I158 VanDerWaalsContact O-N 3.1Å; D156-I158 PolarHBondContact OD1-N 3.17Å; D156-I158 VanDerWaalsContact OD1-N 3.17Å
159T62.4Low51.7Low72 Ų72122.4 Ų122.444%0.44264%0.635SS.*THydrogen-bonded Turntrans-94.1-13.6-175.9590000114.4D156 Q161D156-T159 WeakPolarHBondContact CB-OG1 3.29Å; D156-T159 VanDerWaalsContact CG-OG1 3.29Å; D156-T159 PolarHBondContact O-N 2.72Å; D156-T159 WeakPolarHBondContact OD2-CB 3.39Å; D156-T159 WeakPolarHBondContact OD2-CG2 3.32Å; D156-T159 PolarHBondContact OD2-N 2.85Å; D156-T159 PolarHBondContact OD2-OG1 3.38Å; T159-Q161 PolarHBondContact O-N 3.35Å; T159-Q161 VanDerWaalsContact O-N 3.07Å
160L59.2Low52.6Low129 Ų129124.2 Ų124.268%0.67565%0.645SS**  trans57.512.9-172.2-60.3173.3000114.1D156D156-L160 PolarHBondContact O-N 3.04Å; D156-L160 VanDerWaalsContact O-N 3.09Å
161Q49.3Very low53.3Low149 Ų149127 Ų12770%0.69665%0.652SS**  trans-82.4136.2173.4-64.3-172.2-4.600109.8D156 T159D156-Q161 PolarHBondContact N-O 3.48Å; T159-Q161 PolarHBondContact O-N 3.35Å; T159-Q161 VanDerWaalsContact O-N 3.07Å
162G59.8Low54Low31 Ų31123.9 Ų123.932%0.3264%0.638SS.*SBendtrans142.3139.2-174.900000110R155R155-G162 PolarHBondContact NE-O 3.04Å; R155-G162 VanDerWaalsContact NE-O 3.12Å; R155-G162 PolarHBondContact NH2-O 3.14Å
163D52.6Low54.4Low151 Ų151124.2 Ų124.281%0.80764%0.642SS**  trans-63.3154.3-173-149.1-25.3000111.6R155R155-D163 PolarHBondContact NE-O 3.11Å
164L57.2Low54.2Low112 Ų112124.3 Ų124.359%0.58664%0.642SS**  trans-85.6-17.2-177.9-80.8167.5000113.1
165G55.3Low53.8Low48 Ų48120.3 Ų120.350%0.49563%0.634SS.*  trans73.9-175-169.400000112.6E167G165-E167 PolarHBondContact O-N 3.5Å
166E55.2Low53.1Low166 Ų166117.5 Ų117.578%0.77664%0.638SS**SBendtrans-71.5110.8172-71.4-166148.800109.9L168E166-L168 PolarHBondContact O-N 2.83Å
167E53.8Low52.8Low163 Ų163124.8 Ų124.876%0.76266%0.66SS**  trans-56.7121.5171.1-70.2-170.1162.300110.4G165 D169G165-E167 PolarHBondContact O-N 3.5Å; E167-D169 PolarHBondContact O-N 2.89Å
168L51.9Low52Low153 Ų153124.3 Ų124.380%0.80166%0.657SS**  trans-70.595176.4-72.8172.8000110.2E166 M170E166-L168 PolarHBondContact O-N 2.83Å; L168-M170 PolarHBondContact O-N 2.82Å
169D56.2Low51.1Low74 Ų74129 Ų12940%0.39667%0.665SS.*  trans-49.3111.7168.6172.68000109.6E167 F171 R172E167-D169 PolarHBondContact O-N 2.89Å; D169-F171 PolarHBondContact O-N 2.86Å; D169-F171 VanDerWaalsContact O-N 3.09Å; D169-F171 WeakPolarHBondContact OD1-CB 3.28Å; D169-F171 PolarHBondContact OD1-N 3.36Å; D169-R172 HydrophobicContact CB-CB 4.12Å; D169-R172 HydrophobicContact CB-CG 4.43Å; D169-R172 CarbonylContact O-C 3.56Å; D169-R172 WeakPolarHBondContact O-CA 3.31Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.33Å; D169-R172 WeakPolarHBondContact OD2-CG 3.34Å; D169-R172 IonicContact OD2-NE 2.82Å
170M57.4Low49.9Very low169 Ų169132.4 Ų132.483%0.83368%0.68SS**THydrogen-bonded Turntrans-64.7-13.8-176-169.7167.165.700112.9L168L168-M170 PolarHBondContact O-N 2.82Å
171F53.5Low48.6Very low181 Ų181136.2 Ų136.279%0.79469%0.691SS**THydrogen-bonded Turntrans-92.72.9170.5-58.8-80.5000113.3D169D169-F171 PolarHBondContact O-N 2.86Å; D169-F171 VanDerWaalsContact O-N 3.09Å; D169-F171 WeakPolarHBondContact OD1-CB 3.28Å; D169-F171 PolarHBondContact OD1-N 3.36Å
172R54.3Low48.1Very low146 Ų146136.6 Ų136.655%0.55170%0.697SS**  trans-134.268.1178.1-68.2-179.1175.1-140.5-5.5112.7D169 H174D169-R172 HydrophobicContact CB-CB 4.12Å; D169-R172 HydrophobicContact CB-CG 4.43Å; D169-R172 CarbonylContact O-C 3.56Å; D169-R172 WeakPolarHBondContact O-CA 3.31Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 WeakPolarHBondContact OD2-CD 3.33Å; D169-R172 WeakPolarHBondContact OD2-CG 3.34Å; D169-R172 IonicContact OD2-NE 2.82Å; R172-H174 PolarHBondContact O-N 2.78Å
173P50.6Low46.8Very low108 Ų108139.9 Ų139.970%0.70171%0.707SS**THydrogen-bonded Turntrans-67.319-178.430.8-38.8000115.7
174H45.7Very low45.7Very low177 Ų177142.6 Ų142.682%0.81971%0.706SS**THydrogen-bonded Turntrans-135.220.3-172.2-63.7-21.1000113.9R172R172-H174 PolarHBondContact O-N 2.78Å
175G37.3Very low44.4Very low55 Ų55144.8 Ų144.857%0.56772%0.718SS**  trans57.762.8172.200000113.2R177G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.76Å
176G33.9Very low43.4Very low46 Ų46150.6 Ų150.647%0.47474%0.736SS.*  trans-70.180.2-168.300000114.6
177R46.6Very low42.4Very low225 Ų225151.2 Ų151.285%0.84974%0.739SS**  trans-6.7127.3-179.7-74.9-171.7174.1-151-2.4116.3G175 R179G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.76Å; R177-R179 PolarHBondContact O-N 3.12Å
178P42.2Very low41.3Very low103 Ų103149.1 Ų149.167%0.66974%0.736SS**  trans-57.6128.7176.524.3-33.9000111.1N180P178-N180 PolarHBondContact O-N 2.85Å
179R38.8Very low40.6Very low250 Ų250146.9 Ų146.994%0.94373%0.734SS**  trans-73.1109.8176.5-93.6-177.6165.7166-4.3109.3R177R177-R179 PolarHBondContact O-N 3.12Å
180N37Very low39.4Very low144 Ų144154.3 Ų154.377%0.7776%0.756SS**  trans17.4114.7167.9-793.8000117.4P178 I182P178-N180 PolarHBondContact O-N 2.85Å; N180-I182 PolarHBondContact O-N 2.86Å; N180-I182 VanDerWaalsContact O-N 3.09Å
181K33Very low38.3Very low209 Ų209150.9 Ų150.991%0.90975%0.749SS**  trans-45.8115.2163.1-58.9-179.1179.5-174.20110.5
182I37.6Very low37.3Very low157 Ų157148.8 Ų148.881%0.80575%0.746SS**  trans-121.680.9160.7-58.4-177.7000106.8N180N180-I182 PolarHBondContact O-N 2.86Å; N180-I182 VanDerWaalsContact O-N 3.09Å
183D32.2Very low37Very low100 Ų100148 Ų14854%0.53576%0.763SS.*  trans29.9120.4135.9-94.436000120.3
184R29.7Very low37Very low208 Ų208150.9 Ų150.979%0.78577%0.771SS**  trans92128.7143-56.7157.2-152.2-173.79.5118.5
185N30.5Very low36.8Very low159 Ų159146.5 Ų146.585%0.8576%0.76SS**  trans55.272.3151-62.19.1000118.1
186I34.8Very low36.8Very low169 Ų169147.9 Ų147.987%0.86777%0.774SS**  trans-121127.5138.4-59.9-178.1000106.9
187H33.9Very low36.7Very low180 Ų180155.3 Ų155.383%0.83379%0.788SS**  trans-72.9142.8-171.1-137.8-90.4000111.1S189H187-S189 PolarHBondContact O-N 3.08Å
188V30.7Very low36.1Very low118 Ų118149.3 Ų149.372%0.71578%0.78SS**  trans-66.7118.5176.21760000109.6R190V188-R190 HydrophobicContact CG1-CG 4.07Å
189S36.3Very low35.7Very low106 Ų106151.8 Ų151.874%0.74178%0.782SS**  trans-107.496.2165-63.50000108.5H187 S191H187-S189 PolarHBondContact O-N 3.08Å; S189-S191 PolarHBondContact O-N 3.06Å
190R32.1Very low35.5Very low230 Ų230150 Ų15087%0.86878%0.777SS**  trans-71.7116.5168.5-81.4177.1168.7164.5-6.1108.3V188V188-R190 HydrophobicContact CG1-CG 4.07Å
191S34.5Very low35.5Very low98 Ų98150.7 Ų150.769%0.68578%0.781SS**  trans-99.6100.9176.6-60.50000109.9S189 S193S189-S191 PolarHBondContact O-N 3.06Å; S191-S193 PolarHBondContact O-N 2.85Å; S191-S193 VanDerWaalsContact O-N 3.15Å
192D32.4Very low35.3Very low136 Ų136146.6 Ų146.673%0.72777%0.773SS**  trans-69.5108173-78.8-41.1000110.5I194 S195D192-I194 PolarHBondContact O-N 2.87Å; D192-S195 PolarHBondContact O-N 3.2Å
193S48.1Very low34.9Very low129 Ų129147 Ų14790%0.90277%0.771SS**THydrogen-bonded Turntrans-61.43.5-176.1-53.10000115.9S191S191-S193 PolarHBondContact O-N 2.85Å; S191-S193 VanDerWaalsContact O-N 3.15Å
194I49.3Very low35.1Very low169 Ų169149.1 Ų149.187%0.86778%0.783SS**THydrogen-bonded Turntrans-107.6-25.4-173.4-59.1175.7000111.9D192D192-I194 PolarHBondContact O-N 2.87Å
195S42.8Very low35Very low86 Ų86147.5 Ų147.560%0.60179%0.79SS**THydrogen-bonded Turntrans-87.9-22.8-167.3-168.80000114.9D192 R197D192-S195 PolarHBondContact O-N 3.2Å; S195-R197 PolarHBondContact O-N 3.21Å
196G35.9Very low35.5Very low84 Ų84144.8 Ų144.887%0.86678%0.783SS**  trans65.2-2.8176.700000116.5
197R31.8Very low35.4Very low201 Ų201143.1 Ų143.176%0.75878%0.781SS**  trans-103115.1177.3-72.2-172.8174.6-161.41.7111.6S195S195-R197 PolarHBondContact O-N 3.21Å
198C35.3Very low35.4Very low100 Ų100141 Ų14168%0.67678%0.775SS**  trans-106.8109163.5-61.20000108.4Y200C198-Y200 PolarHBondContact O-N 2.98Å
199E33.4Very low35.5Very low154 Ų154143 Ų14372%0.7278%0.776SS**  trans-78.5110177.2-67.2-175166.500110N201E199-N201 PolarHBondContact O-N 3.16Å; E199-N201 VanDerWaalsContact O-N 3.1Å
200Y34.4Very low35.3Very low212 Ų212147.4 Ų147.483%0.83178%0.778SS**  trans-78.491178.6-80.2-87.9000110.8C198 V202C198-Y200 PolarHBondContact O-N 2.98Å; Y200-V202 PolarHBondContact O-N 2.94Å
201N36.1Very low35.5Very low159 Ų159142.7 Ų142.785%0.8577%0.771SS**  trans-67.6111.7164.1-76.9-36.5000109.8E199E199-N201 PolarHBondContact O-N 3.16Å; E199-N201 VanDerWaalsContact O-N 3.1Å
202V30Very low35.3Very low124 Ų124146.8 Ų146.875%0.75278%0.779SS**  trans-75.3175.4171.3-175.90000108.9Y200Y200-V202 PolarHBondContact O-N 2.94Å
203E29.6Very low35.4Very low165 Ų165151 Ų15177%0.77179%0.785SS**  trans75101174.2-47.4178.8-172.200114.1
204N35.1Very low34.6Very low145 Ų145152.6 Ų152.678%0.77578%0.778SS**  -164.112972.9-94.8-85000112.2
205N29.2Very low33.5Very low173 Ų173149.3 Ų149.393%0.92577%0.769SS**  trans-114119.3170.6-116.9-16.9000108.1
206S40.2Very low33Very low102 Ų102153.2 Ų153.271%0.71378%0.783SS**  trans-140.8108.3177.358.70000115.2
207V33.2Very low32.7Very low135 Ų135158.7 Ų158.782%0.81879%0.786SS**  trans74.8110.6143.5-175.10000119
208N32.1Very low32.8Very low134 Ų134156.2 Ų156.272%0.71778%0.783SS**  trans-55157.1165.2-48.6-63.1000114.2
209H32.9Very low32.7Very low160 Ų160158.5 Ų158.574%0.74179%0.788SS**  168.3129.3108.5-86.1-62.5000111.7
210Y33.1Very low32.6Very low199 Ų199157.2 Ų157.278%0.7880%0.797SS**  174.9142.6103.5-106-72.5000114.3
211N36.2Very low32.5Very low132 Ų132156.1 Ų156.171%0.70679%0.791SS**  trans61.688.1158-64.6-31.3000119.5
212E29.9Very low32.3Very low183 Ų183159.7 Ų159.786%0.85579%0.792SS**  trans-50.9153.6143.9-52.4161.8122.600111.8
213R34.5Very low32.4Very low226 Ų226164.8 Ų164.885%0.85380%0.8SS**  trans-156.5113.4143.9-117.9-167.6-80.6-132.3-1.5113.2
214Q31.4Very low32.7Very low161 Ų161160.7 Ų160.775%0.75279%0.789SS**  trans62.188.1149.9-57.4-59.8-48.400118.4
215C26.6Very low32.8Very low101 Ų101165 Ų16568%0.68280%0.796SS**  19125.3126.9-47.40000119.5
216N31.4Very low33.5Very low168 Ų168161 Ų16190%0.89878%0.775SS**  trans-15798.7138.3-101.9-33.5000109.4E218N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.8Å
217E30Very low33.8Very low198 Ų198160.4 Ų160.493%0.92578%0.775SS**  trans-81.652.7-171.7-64.3179.699.500113.7
218E35Very low34.6Very low150 Ų150157.2 Ų157.270%0.70176%0.757SS**  trans-139.855.4180-143.3-175.6-176.600115.9N216 R221N216-E218 VanDerWaalsContact C-N 3.28Å; N216-E218 PolarHBondContact O-N 2.8Å; E218-R221 IonicContact OE1-NH2 3.21Å
219N32.5Very low35.3Very low147 Ų147153.7 Ų153.779%0.78674%0.738SS**  trans-143.723.4159.4-123.2-23000115.9R221N219-R221 PolarHBondContact O-N 3.34Å
220S30.8Very low36.2Very low128 Ų128151.4 Ų151.490%0.89574%0.737SS**  trans-76.364.3168.6-165.40000111.2
221R33Very low37.2Very low189 Ų189148.7 Ų148.771%0.71373%0.734SS**  trans-118.982.2178.6-70.5-165.1-176-149.74.2111.9E218 N219 Y223E218-R221 IonicContact OE1-NH2 3.21Å; N219-R221 PolarHBondContact O-N 3.34Å; R221-Y223 PolarHBondContact O-N 3.4Å
222R30.9Very low38.3Very low233 Ų233146.1 Ų146.188%0.87972%0.724SS**  trans34.888144.3-58.1177.9-176.9174.50115.1S224R222-S224 PolarHBondContact O-N 2.61Å
223Y32.2Very low39.4Very low232 Ų232144.5 Ų144.591%0.9172%0.716SS**  trans-68.780.6150.4-92-84.4000108.5R221 Y225R221-Y223 PolarHBondContact O-N 3.4Å; Y223-Y225 PolarHBondContact O-N 3.47Å
224S36.3Very low39.7Very low78 Ų78136.8 Ų136.855%0.54570%0.697SS.*  trans-66121.2168.349.40000108.3R222 L226R222-S224 PolarHBondContact O-N 2.61Å; S224-L226 PolarHBondContact O-N 3.41Å
225Y37.6Very low40.7Very low236 Ų236135 Ų13593%0.92569%0.691SS**  trans-65.482.7167.4-76.9-99.4000109Y223 A227Y223-Y225 PolarHBondContact O-N 3.47Å; Y225-A227 PolarHBondContact O-N 2.85Å
226L43.8Very low41.5Very low90 Ų90133.2 Ų133.247%0.47168%0.678SS.*  trans-69.399.6168.9-67.8178000107.1S224 T228 P236 T238S224-L226 PolarHBondContact O-N 3.41Å; L226-T228 PolarHBondContact O-N 3.18Å; L226-P236 HydrophobicContact CB-CG 4.45Å; L226-P236 HydrophobicContact CD1-CG 4.45Å; L226-T238 HydrophobicContact CD1-CG2 4.48Å
227A45.4Very low42Very low88 Ų88133.7 Ų133.773%0.72768%0.675SS**PPolyproline II helixtrans-58.8120.2175.300000109Y225Y225-A227 PolarHBondContact O-N 2.85Å
228T50.9Low42.6Very low69 Ų69129 Ų12942%0.42366%0.66SS.*PPolyproline II helixtrans-61.5142.516335.20000108.9L226 P230 L235L226-T228 PolarHBondContact O-N 3.18Å; T228-P230 WeakPolarHBondContact O-CD 3.49Å; T228-L235 HydrophobicContact CG2-CD2 3.61Å; T228-L235 HydrophobicContact CG2-CG 3.99Å
229D46.1Very low42.5Very low60 Ų60131.1 Ų131.132%0.32167%0.667SS.*PPolyproline II helixtrans-62.8122174171.14.6000109.3I231 T232 H233 S234D229-I231 PolarHBondContact O-N 2.74Å; D229-I231 WeakPolarHBondContact OD1-CB 3.26Å; D229-I231 PolarHBondContact OD1-N 3.37Å; D229-T232 WeakPolarHBondContact CB-OG1 3.47Å; D229-T232 VanDerWaalsContact CG-OG1 3.24Å; D229-T232 PolarHBondContact O-N 2.77Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T232 PolarHBondContact OD2-OG1 2.79Å; D229-H233 VanDerWaalsContact O-CA 3.31Å; D229-H233 WeakPolarHBondContact O-CA 3.19Å; D229-H233 PolarHBondContact O-N 2.88Å; D229-S234 PolarHBondContact N-O 2.87Å
230P53Low42.6Very low112 Ų112132.2 Ų132.273%0.72767%0.672SS**THydrogen-bonded Turntrans-69.9-6.6-178.630.6-36.8000114T228T228-P230 WeakPolarHBondContact O-CD 3.49Å
231I53.8Low42.6Very low141 Ų141132.8 Ų132.872%0.72367%0.67SS**THydrogen-bonded Turntrans-95.1-36.8177.6-57.4178.8000111.2D229D229-I231 PolarHBondContact O-N 2.74Å; D229-I231 WeakPolarHBondContact OD1-CB 3.26Å; D229-I231 PolarHBondContact OD1-N 3.37Å
232T59.3Low42.6Very low79 Ų79134.4 Ų134.449%0.48568%0.676SS.*THydrogen-bonded Turntrans-113.9-14.1-172.461.80000114.8D229 S234D229-T232 WeakPolarHBondContact CB-OG1 3.47Å; D229-T232 VanDerWaalsContact CG-OG1 3.24Å; D229-T232 PolarHBondContact O-N 2.77Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.4Å; D229-T232 PolarHBondContact OD2-OG1 2.79Å; T232-S234 PolarHBondContact O-N 3.42Å; T232-S234 PolarHBondContact OG1-N 2.85Å; T232-S234 PolarHBondContact OG1-OG 3.48Å
233H52.8Low42.8Very low149 Ų149128.5 Ų128.569%0.6967%0.67SS**  trans55.17.5-167.5-64.5-64.8000115.6D229D229-H233 VanDerWaalsContact O-CA 3.31Å; D229-H233 WeakPolarHBondContact O-CA 3.19Å; D229-H233 PolarHBondContact O-N 2.88Å
234S40.7Very low42.7Very low64 Ų64126.2 Ų126.245%0.44867%0.668SS.*PPolyproline II helixtrans-69136.7177.663.80000111.3D229 T232D229-S234 PolarHBondContact N-O 2.87Å; T232-S234 PolarHBondContact O-N 3.42Å; T232-S234 PolarHBondContact OG1-N 2.85Å; T232-S234 PolarHBondContact OG1-OG 3.48Å
235L52.9Low42.5Very low123 Ų123128.3 Ų128.364%0.64468%0.683SS**PPolyproline II helixtrans-74.6141.6163.3-74.7165.4000108.6T228 E237T228-L235 HydrophobicContact CG2-CD2 3.61Å; T228-L235 HydrophobicContact CG2-CG 3.99Å; L235-E237 PolarHBondContact O-N 3.15Å
236P43.8Very low42.2Very low63 Ų63121.5 Ų121.541%0.40967%0.666SS.*PPolyproline II helixtrans-64.1131.6175.226.9-33.8000110.4L226 T238L226-P236 HydrophobicContact CB-CG 4.45Å; L226-P236 HydrophobicContact CD1-CG 4.45Å; P236-T238 PolarHBondContact O-N 2.89Å
237E42.4Very low41.8Very low178 Ų178128.8 Ų128.883%0.83269%0.687SS**  trans-7171.3179.4-65.9-167.2151.400112.4L235 K239L235-E237 PolarHBondContact O-N 3.15Å; E237-K239 PolarHBondContact O-N 3.31Å
238T41.8Very low41.1Very low99 Ų99132.4 Ų132.461%0.60769%0.688SS**  trans-71.493.8175.856.70000110.2L226 P236 L240L226-T238 HydrophobicContact CD1-CG2 4.48Å; P236-T238 PolarHBondContact O-N 2.89Å; T238-L240 PolarHBondContact O-N 3.09Å
239K32.3Very low40.3Very low196 Ų196140.3 Ų140.385%0.85271%0.712SS**  trans-53.993.4178-62.3173.7-177.3175.60112E237E237-K239 PolarHBondContact O-N 3.31Å
240L36Very low39.9Very low170 Ų170146.6 Ų146.689%0.8974%0.736SS**  trans-123.2100.4170.9-147.681.2000111.3T238 R242T238-L240 PolarHBondContact O-N 3.09Å; L240-R242 PolarHBondContact O-N 3.14Å
241V30.9Very low38.8Very low140 Ų140149.3 Ų149.385%0.84874%0.739SS**  trans-76.6115.9-179.7177.20000110.5
242R32.8Very low37.8Very low223 Ų223147.2 Ų147.284%0.84274%0.743SS**  trans-157.7142.6151.6-138.6170.5-179.983.3-0.9115.7L240L240-R242 PolarHBondContact O-N 3.14Å
243S33.3Very low36.4Very low108 Ų108155.8 Ų155.876%0.75577%0.766SS**  trans55.593158.5390000117.6
244Q30.1Very low35.5Very low185 Ų185152.1 Ų152.186%0.86476%0.762SS**  trans-61.1140.6162.5-61.6163.7-16.700111.4V246Q244-V246 HydrophobicContact CB-CG2 4.48Å
245S34.1Very low35.1Very low122 Ų122155.8 Ų155.885%0.85378%0.782SS**  trans-139114.8143.476.30000108.2
246V30.2Very low34.2Very low93 Ų93158.8 Ų158.856%0.56479%0.792SS**  trans-93126.2-164176.30000111.1Q244 H248Q244-V246 HydrophobicContact CB-CG2 4.48Å; V246-H248 VanDerWaalsContact CG1-CE1 3.43Å; V246-H248 WeakPolarHBondContact CG1-CE1 3.43Å
247R35.6Very low33.8Very low243 Ų243162.8 Ų162.892%0.91781%0.81SS**  trans-135.293.7157.5-65.9-167.8-171.4-161.54.4109.3Y249R247-Y249 PolarHBondContact O-N 2.92Å
248H30.2Very low33.4Very low163 Ų163159.9 Ų159.976%0.75581%0.807SS**  trans-65.3128.7173.6-61.2116.1000110.9V246V246-H248 VanDerWaalsContact CG1-CE1 3.43Å; V246-H248 WeakPolarHBondContact CG1-CE1 3.43Å
249Y33.9Very low33.3Very low236 Ų236162.9 Ų162.993%0.92582%0.818SS**  trans-140.4146.6147.1-91.6-74.9000109.3R247R247-Y249 PolarHBondContact O-N 2.92Å
250K37.8Very low33.3Very low192 Ų192156.8 Ų156.884%0.83581%0.81SS**  trans-88.6123.7-166.5-71.8-172.4175.5-170.50112.7
251E30.1Very low33.2Very low169 Ų169159.1 Ų159.179%0.7981%0.808SS**  43.495118.4-167.6171.2-130.500117.9
252A32.4Very low33.2Very low96 Ų96160.2 Ų160.279%0.79381%0.807SS**  trans-158.677154.400000109.5A254A252-A254 PolarHBondContact O-N 3.3Å
253W30Very low33.3Very low259 Ų259158.7 Ų158.798%0.98181%0.809SS**  trans-86.798.9-178.5-74.678.8000111.3
254A34.2Very low33.5Very low73 Ų73165.3 Ų165.360%0.60382%0.817SS**  trans-133.8125.4167.300000109.9A252A252-A254 PolarHBondContact O-N 3.3Å
255T32.6Very low33.6Very low140 Ų140162.9 Ų162.986%0.85982%0.815SS**  trans31.298.6159.355.90000117.5
256H33.4Very low33.6Very low186 Ų186162.4 Ų162.486%0.86181%0.812SS**  trans-133113.2164.1-105.3-73.3000112.3
257D35.8Very low33.7Very low148 Ų148162.8 Ų162.879%0.79181%0.814SS**  trans-73.7137.9171.6-119.3-39.8000110.9I259D257-I259 PolarHBondContact O-N 3.17Å
258P34.6Very low33.7Very low117 Ų117156.7 Ų156.776%0.7681%0.809SS**SBendtrans-93.134.9-174.437.2-36.2000115.4
259I39.2Very low33.9Very low162 Ų162158.3 Ų158.383%0.83181%0.81SS**  trans-139.3112158.3-77.7104.5000108.4D257D257-I259 PolarHBondContact O-N 3.17Å
260G33.1Very low33.9Very low67 Ų67156.9 Ų156.969%0.69181%0.808SS**  trans-174.230.7-172.700000116.4
261Y32.2Very low34Very low219 Ų219154.1 Ų154.186%0.85981%0.807SS**  trans-78.2152.6172.9-105.8-112.3000111.4
262M32.3Very low34.1Very low164 Ų164153.8 Ų153.881%0.80881%0.811SS**  trans86.653.2178.2-55.2-64.1111.100118.5
263H34.6Very low34.5Very low191 Ų191158.8 Ų158.888%0.88482%0.815SS**  trans-93.9115.8148.8-93.2-80.4000111
264R36.6Very low34.7Very low246 Ų246153.3 Ų153.393%0.92881%0.81SS**  trans-72.7136.5168.4-86.8-170.6173.3-141.10.2110.5
265T32.4Very low34.8Very low135 Ų135161 Ų16183%0.82882%0.823SS**  trans-62.4132.3173.450.70000112.4
266S34.5Very low34.7Very low112 Ų112157.9 Ų157.978%0.78382%0.819SS**  trans-165.988.8145.3-1040000112.3
267T33.2Very low34.7Very low101 Ų101157.8 Ų157.862%0.6282%0.821SS**  trans24.3113.2140.657.40000119.8Y269T267-Y269 HydrophobicContact CG2-CE2 4.06Å
268S35.5Very low34.7Very low114 Ų114159.6 Ų159.680%0.79782%0.822SS**  -150.3121.5129.870.20000110.7
269Y32.7Very low34.9Very low198 Ų198161.9 Ų161.978%0.77682%0.822SS**  trans-98130.4177.6-44.3-87.4000108.3T267T267-Y269 HydrophobicContact CG2-CE2 4.06Å
270K34.5Very low34.6Very low206 Ų206162.7 Ų162.790%0.89682%0.82SS**  trans-112.2113.8166.9-81.8-171.2174.7-177.40109.8
271T40Very low34.8Very low133 Ų133165.1 Ų165.182%0.81682%0.823SS**  trans-130109.2168.127.10000108.7K273T271-K273 PolarHBondContact O-N 2.88Å
272D32.1Very low35Very low162 Ų162159.7 Ų159.787%0.86682%0.816SS**  trans-63.8116.4173.6-84.2-63.2000111
273K40.6Very low35Very low201 Ų201160 Ų16087%0.87482%0.821SS**  trans-138.296.1153.2-74.7-159.2176.1-179.30112.3T271 R275T271-K273 PolarHBondContact O-N 2.88Å; K273-R275 PolarHBondContact O-N 2.91Å
274V34.8Very low35.1Very low144 Ų144158.8 Ų158.887%0.87381%0.813SS**  trans-15.1116.6148.1-174.60000114.3
275R36.8Very low35.1Very low235 Ų235154.7 Ų154.789%0.88781%0.81SS**  178117127-177.8163.562.3-156.31.1108.7K273K273-R275 PolarHBondContact O-N 2.91Å
276G29.9Very low35.3Very low74 Ų74152.8 Ų152.876%0.76380%0.802SS**  trans-82.7155.3-173.300000114.2
277M33.7Very low35.4Very low184 Ų184154.4 Ų154.491%0.90680%0.802SS**  trans-140.4125.5152.6-97156.766.200107.9
278K36.5Very low35.6Very low186 Ų186157.1 Ų157.181%0.80981%0.812SS**  trans-68.1156.3163.2-59.7171.7178.8176.60107.9
279H37.3Very low35.8Very low166 Ų166156.6 Ų156.677%0.76981%0.806SS**  -175.196128.9-98.9-74.1000112
280F33.2Very low35.9Very low179 Ų179153.2 Ų153.279%0.78581%0.806SS**  trans55.5147.2150-67.1-91.5000123.2
281P38.2Very low35.8Very low117 Ų117148 Ų14876%0.7679%0.792SS**  trans-96.5168175.440.1-35.1000112.5
282C35Very low35.7Very low105 Ų105149.1 Ų149.171%0.70979%0.787SS**  trans-150.3111.7156.8-151.60000110.9
283N33.1Very low35.6Very low170 Ų170150.9 Ų150.991%0.90978%0.782SS**  trans-129.9130.3150.9-13316000104.8
284K37.3Very low35.4Very low166 Ų166148.2 Ų148.272%0.72278%0.776SS**  trans-138.6166.1-172.2-85.9-166.1174.3-1680110.3
285N36.3Very low35.3Very low160 Ų160145.2 Ų145.286%0.85676%0.762SS**  trans77.6124.9-176.4-45.4-2.3000110.7
286S36.3Very low35.2Very low95 Ų95140.9 Ų140.966%0.66476%0.755SS**  cis-150.51391.645.50000111.1
287D37.5Very low35.4Very low146 Ų146143.3 Ų143.378%0.78175%0.75SS**  trans41.8116132.2-38.2-35.9000117
288D36.4Very low35.6Very low158 Ų158140.9 Ų140.985%0.84574%0.737SS**  -146.8172.359-101.8-25.7000115
289P40.4Very low35.7Very low103 Ų103139.9 Ų139.967%0.66973%0.734SS**  trans-117.3-160.4-167.932.5-12.6000114.1
290V34.2Very low35.5Very low127 Ų127141.4 Ų141.477%0.7773%0.733SS**  trans76.9122.2163.1178.80000115.8
291T33.2Very low35.7Very low97 Ų97139.7 Ų139.760%0.59573%0.728SS**  cis-164.3158.5-11.522.30000110.4
292H36.3Very low35.5Very low157 Ų157141.8 Ų141.873%0.72773%0.728SS**  trans67.9155.1143.4-70.6-19.4000120.4
293R30.4Very low35.6Very low198 Ų198145.9 Ų145.975%0.74774%0.736SS**  cis-172.9163.3-27.1-162.1-179.2-170.1178.72.1107.5
294L36.6Very low35.3Very low145 Ų145147 Ų14776%0.75973%0.727SS**  trans72.3153.3166.6-47.5174.6000115.8
295S32.1Very low35.3Very low82 Ų82144.9 Ų144.957%0.57373%0.73SS**  cis-163.7131-28.4-1010000111.5
296I35.8Very low35.1Very low144 Ų144143.5 Ų143.574%0.73872%0.719SS**  trans48.6167.4130.3-25.9168.3000119.8
297D34.5Very low34.8Very low124 Ų124146 Ų14666%0.66372%0.724SS**  trans85.2134158.5-57.4-24.6000118.7
298H37.7Very low34.4Very low134 Ų134144.5 Ų144.562%0.6272%0.72SS**  cis-162.4132.1-17.6-128.2-48.4000111.7
299H39Very low34Very low164 Ų164148.8 Ų148.876%0.75973%0.726SS**  trans60.1175.5153.5-67.5-21.4000117.2
300R32.6Very low33.7Very low199 Ų199149.5 Ų149.575%0.75173%0.729SS**  cis-154.9137.916.1-162.4170.9164.2150.4-2.7113.8
301Q37.1Very low33.5Very low142 Ų142148.2 Ų148.266%0.66473%0.732SS**  trans50.9113.8152.5-72.5160.6-9.700119.5
302Q32.8Very low33.5Very low162 Ų162149.2 Ų149.276%0.75774%0.743SS**  72.3108.776.7-70.6-775.800114.3
303H37.9Very low33.2Very low190 Ų190151.1 Ų151.188%0.8875%0.749SS**  177.5140.8122.3-95.6-70.1000110.6
304R27.4Very low33.2Very low193 Ų193146.6 Ų146.673%0.72875%0.748SS**  trans-133.1128.8179173.4-178.6179.4174.21.7110.4
305P36.9Very low32.8Very low122 Ų122150.3 Ų150.379%0.79275%0.752SS**  trans-97.3167.9148.2-13.631.8000112.4
306Q31Very low32.8Very low131 Ų131155.1 Ų155.161%0.61276%0.762SS**  trans-106.3172176.5-73.9-91.857.600110.5
307L30.1Very low32.5Very low149 Ų149154.4 Ų154.478%0.7876%0.76SS**  trans57.7108.4154.9-66.8150.3000115.7
308T29.8Very low32.1Very low114 Ų114155.3 Ų155.370%0.69977%0.77SS**  -165.1129.859.434.40000111.7T310T308-T310 PolarHBondContact O-N 3.28Å
309Y29Very low31.9Very low247 Ų247156.1 Ų156.197%0.96978%0.778SS**  trans-88.496.1163.8-90.5-90000109.3
310T33.4Very low31.4Very low119 Ų119159.2 Ų159.273%0.7378%0.783SS**  trans-77.4138.7162.446.80000109.2T308 S312T308-T310 PolarHBondContact O-N 3.28Å; T310-S312 PolarHBondContact O-N 3.01Å; T310-S312 VanDerWaalsContact O-N 3.16Å
311A29.8Very low31.2Very low100 Ų100154.8 Ų154.883%0.82679%0.79SS**  trans-68.8114.4-172.500000111.7K313A311-K313 PolarHBondContact O-N 3.03Å
312S32.7Very low30.8Very low118 Ų118154.5 Ų154.583%0.82579%0.793SS**  trans-63124.8173.6-70.80000110.8T310 S314T310-S312 PolarHBondContact O-N 3.01Å; T310-S312 VanDerWaalsContact O-N 3.16Å; S312-S314 PolarHBondContact O-N 2.89Å
313K30.4Very low30.7Very low196 Ų196153.2 Ų153.285%0.85280%0.796SS**  trans-67.392.3-171.4-65.6173.7178.9175.20112.2A311 R315A311-K313 PolarHBondContact O-N 3.03Å; K313-R315 PolarHBondContact O-N 2.74Å
314S29.7Very low30.5Very low103 Ų103151.5 Ų151.572%0.7279%0.793SS**  trans-68112.5161.9-171.90000109.2S312 F316S312-S314 PolarHBondContact O-N 2.89Å; S314-F316 PolarHBondContact O-N 2.79Å
315R28.6Very low30.7Very low223 Ų223148.2 Ų148.284%0.84280%0.797SS**  trans-89.196.7179.7-62.9179.3-174.1166.40.7109.5K313K313-R315 PolarHBondContact O-N 2.74Å
316F31.8Very low30.7Very low183 Ų183149.3 Ų149.380%0.80380%0.795SS**  trans-12687.5168.9-92.8-83.8000112.1S314S314-F316 PolarHBondContact O-N 2.79Å
317N30.4Very low31.1Very low129 Ų129149.5 Ų149.569%0.6981%0.805SS**  trans28.694.8150-59.9-7000118.6L319N317-L319 PolarHBondContact O-N 3.09Å
318T27.2Very low31.1Very low143 Ų143151.1 Ų151.188%0.87781%0.808SS**  trans-65.6104.8143.9-53.80000108.8
319L32Very low31.4Very low151 Ų151155 Ų15579%0.79182%0.818SS**  trans-126.6108163.1-83.4-179.3000112N317 A321N317-L319 PolarHBondContact O-N 3.09Å; L319-A321 PolarHBondContact O-N 2.89Å; L319-A321 VanDerWaalsContact O-N 3.09Å
320R28.2Very low31.4Very low229 Ų229152.4 Ų152.486%0.86482%0.815SS**  trans-67.691.7173.1-177.7-172.3-165176.94.8109.1N322R320-N322 PolarHBondContact O-N 2.89Å
321A29.5Very low31.3Very low107 Ų107155.9 Ų155.988%0.88482%0.82SS**  trans-66.291.2-177.700000111.9L319L319-A321 PolarHBondContact O-N 2.89Å; L319-A321 VanDerWaalsContact O-N 3.09Å
322N27.8Very low31.3Very low135 Ų135158.9 Ų158.972%0.72282%0.822SS**  trans-153.167.5179.7-176.247.6000111.3R320R320-N322 PolarHBondContact O-N 2.89Å
323T31.4Very low31.4Very low135 Ų135161 Ų16183%0.82882%0.822SS**  trans-155.8135.8173.314.40000111.2
324N33.3Very low31.4Very low154 Ų154156.4 Ų156.482%0.82482%0.815SS**  trans-77.8142.4169.3-57-51.5000110.3
325P33Very low31.5Very low124 Ų124156.5 Ų156.581%0.80582%0.816SS**  trans-105.796.2169.135.2-26.5000111.6
326I36.3Very low31.6Very low145 Ų145151.7 Ų151.774%0.74481%0.807SS**  trans-137.4145.5167.2-48.6-178.5000109.3
327T38.4Very low31.6Very low135 Ų135151 Ų15183%0.82881%0.806SS**  trans72.3114.4-17965.80000116.9
328H30.9Very low31.6Very low183 Ų183149.2 Ų149.285%0.84780%0.804SS**  trans-66.3141.3150.6-67.4-123.4000108.9
329Q35.3Very low31.8Very low195 Ų195148.5 Ų148.591%0.91180%0.802SS**  -157.1145.4113.9-76.8-140.67.300109.1
330Q28.9Very low31.8Very low193 Ų193148.6 Ų148.690%0.90280%0.802SS**  trans-83.4129.3179.5-68167.5-47.700110.7
331K32.8Very low31.9Very low192 Ų192146.4 Ų146.484%0.83580%0.801SS**  trans-150.1103.7155.9-152.3166.9-171.9175.50111.3I333K331-I333 PolarHBondContact O-N 3.01Å
332N29.9Very low32Very low164 Ų164148.4 Ų148.488%0.87780%0.796SS**  trans-73.3122.5178.5-64.7-20.8000110.5
333I33.4Very low32.4Very low161 Ų161150 Ų15083%0.82681%0.805SS**  trans-138.2138156.8-50.6179.7000106K331K331-I333 PolarHBondContact O-N 3.01Å
334S31.1Very low32.3Very low101 Ų101150.6 Ų150.671%0.70680%0.803SS**  trans-122.4147.3-171-176.80000111.3
335S31Very low32.4Very low104 Ų104151.3 Ų151.373%0.72780%0.801SS**  trans60.7145.4161.5-56.10000115.8
336D31.2Very low32.3Very low122 Ų122151.3 Ų151.365%0.65280%0.799SS**  cis-175.2162.732.4-138.818.9000110.2
337Q31.3Very low32.2Very low168 Ų168149.1 Ų149.179%0.78580%0.796SS**  trans63.5154.4158.7-64.6165.555.900118
338S31.2Very low32.1Very low92 Ų92148.1 Ų148.164%0.64379%0.791SS**  cis-154.2157.6-15.648.30000109.4
339P30.6Very low32.2Very low129 Ų129147.3 Ų147.384%0.83879%0.791SS**  trans-90.7131.3-178.334.1-31.9000112.7
340I32.3Very low32.3Very low153 Ų153140.9 Ų140.979%0.78578%0.776SS**  trans-133.3150.2169.7-64-174.8000110.3
341E30.8Very low32.6Very low182 Ų182138 Ų13885%0.8577%0.767SS**  trans-66.3171.8-158.8-64158.6128.500117.8
342L31.9Very low32.8Very low150 Ų150138.7 Ų138.779%0.78577%0.771SS**  trans-41.1148.7163.6-62.5152000113.8
343N34.9Very low33Very low168 Ų168137 Ų13790%0.89876%0.762SS**  -153.1148.3125.1-93.9-49.8000110
344D30.7Very low32.9Very low147 Ų147137.4 Ų137.479%0.78676%0.76SS**  trans-88.5-162.4178.1-77.6-68.6000111.5
345E34Very low32.8Very low170 Ų170138.2 Ų138.279%0.79476%0.761SS**  trans107.877.1152.4-55.5-153.615600121.1
346T31.2Very low32.8Very low123 Ų123138.6 Ų138.676%0.75576%0.759SS**  75.5-178.8125.979.60000120.8
347S33.6Very low32.8Very low99 Ų99140.5 Ų140.569%0.69277%0.767SS**  trans84.1125.9160.7-73.90000118.9
348T37.8Very low32.6Very low115 Ų115135.9 Ų135.971%0.70676%0.764SS**  cis-162.1163.3-10.7-5.80000112.4
349I33.1Very low32.6Very low166 Ų166139.2 Ų139.285%0.85178%0.775SS**  trans68.5131.5151.2-69.6159.1000117.9
350G36.8Very low32.6Very low59 Ų59140.1 Ų140.161%0.60878%0.778SS**  cis-177.6157.3-600000115.6
351D35.5Very low32.5Very low134 Ų134138.2 Ų138.272%0.71778%0.778SS**  trans33.5118.3149-47.7-18.7000120.5
352F37.3Very low32.5Very low206 Ų206134 Ų13490%0.90477%0.774SS**  -16395.1101-100.5-66.6000112.4
353N33.1Very low32.6Very low128 Ų128133.1 Ų133.168%0.68478%0.775SS**  trans23.6134.8147.6-71.1-1.3000124
354E30.5Very low32.7Very low170 Ų170129.9 Ų129.979%0.79476%0.763SS**  trans90.6121.4135.3-76.9-172.6134.400123.2
355V30.5Very low32.9Very low118 Ų118129.6 Ų129.672%0.71576%0.757SS**  trans70.283.2133-178.80000118.1
356T30.9Very low32.9Very low112 Ų112129 Ų12969%0.68776%0.759SS**  168.6119.1102.8-680000113
357I30.1Very low33Very low162 Ų162134.5 Ų134.583%0.83177%0.766SS**  trans21.1110.5147-48.7174.4000118
358G27.7Very low33.2Very low70 Ų70136.2 Ų136.272%0.72276%0.761SS**  trans87.367.6138.700000118.3
359N31.4Very low33Very low162 Ų162138 Ų13887%0.86677%0.765SS**  trans-129.5139.5158.8-85.6-63.7000111.1S361N359-S361 PolarHBondContact O-N 3.4Å
360V30.4Very low33.2Very low148 Ų148141.7 Ų141.790%0.89777%0.769SS**PPolyproline II helixtrans-77.7116.4179.8178.30000109
361S29.8Very low33.6Very low114 Ų114149.4 Ų149.480%0.79778%0.78SS**PPolyproline II helixtrans-73.8131.3-177.4-168.50000111.9N359N359-S361 PolarHBondContact O-N 3.4Å
362A30.9Very low34Very low93 Ų93146.4 Ų146.477%0.76977%0.773SS**PPolyproline II helixtrans-83.3122.7-174.200000112.4
363V34.6Very low34.8Very low131 Ų131141.6 Ų141.679%0.79476%0.756SS**PPolyproline II helixtrans-82.5129167.1179.60000108.6E365V363-E365 PolarHBondContact O-N 2.78Å
364P35.9Very low35.7Very low101 Ų101143.8 Ų143.866%0.65676%0.755SS**PPolyproline II helixtrans-67.9132.3-172.424.4-33.7000113.4N366P364-N366 PolarHBondContact O-N 3Å
365E35.4Very low37Very low140 Ų140138.9 Ų138.965%0.65473%0.734SS**SBendtrans-66.620.6-174.5-70.3-149.312000116.7V363 R367 K368V363-E365 PolarHBondContact O-N 2.78Å; E365-R367 PolarHBondContact O-N 3.43Å; E365-K368 IonicContact OE1-NZ 3.01Å; E365-K368 IonicContact OE2-NZ 3.28Å; E365-K368 PolarHBondContact OE2-NZ 2.88Å
366N33.8Very low38.3Very low159 Ų159139 Ų13985%0.8574%0.737SS**THydrogen-bonded Turntrans-93.822.7-174.2-78.2-46.6000114.8P364P364-N366 PolarHBondContact O-N 3Å
367R33.8Very low39.3Very low238 Ų238141.1 Ų141.190%0.89874%0.743SS**THydrogen-bonded Turntrans-109.925.1166.3-66-170.3-175.61733.6113.4E365 L369E365-R367 PolarHBondContact O-N 3.43Å; R367-L369 PolarHBondContact O-N 2.93Å; R367-L369 VanDerWaalsContact O-N 3.11Å
368K37.8Very low40.8Very low135 Ų135137.3 Ų137.359%0.58773%0.727SS**  trans-56.7116.3166.5-80168.5-179.5156.30108.6E365 R370E365-K368 IonicContact OE1-NZ 3.01Å; E365-K368 IonicContact OE2-NZ 3.28Å; E365-K368 PolarHBondContact OE2-NZ 2.88Å; K368-R370 PolarHBondContact O-N 2.82Å
369L34.4Very low42.3Very low151 Ų151135.3 Ų135.379%0.79171%0.707SS**  trans-59108.9-168.4-74.5160.6000111R367 R371R367-L369 PolarHBondContact O-N 2.93Å; R367-L369 VanDerWaalsContact O-N 3.11Å; L369-R371 PolarHBondContact O-N 2.86Å
370R37.1Very low43.7Very low245 Ų245134.3 Ų134.393%0.92570%0.697SS**  trans-66.182.2162.7-70.7-173.4-179.7-175.9-0.7108.6K368 A372K368-R370 PolarHBondContact O-N 2.82Å; R370-A372 PolarHBondContact O-N 2.98Å
371R44.3Very low45.1Very low221 Ų221129.3 Ų129.383%0.83468%0.675SS**  trans-67.777.8164.4-77.4-176.8170.6169.9-3.2107.9L369 L373L369-R371 PolarHBondContact O-N 2.86Å; R371-L373 PolarHBondContact O-N 3.34Å; R371-L373 VanDerWaalsContact O-N 3.16Å
372A44.9Very low46.3Very low70 Ų70127.7 Ų127.758%0.57966%0.656SS**  trans-54.7120.9170.200000107.9R370 R374R370-A372 PolarHBondContact O-N 2.98Å; A372-R374 PolarHBondContact O-N 3.22Å
373L53.7Low47.4Very low106 Ų106126.8 Ų126.856%0.55564%0.643SS**  trans-73.580.2178-75.2158.8000108.4R371 M382 Y387R371-L373 PolarHBondContact O-N 3.34Å; R371-L373 VanDerWaalsContact O-N 3.16Å; L373-M382 PolarHBondContact O-N 2.79Å; L373-Y387 HydrophobicContact CB-CE2 4.09Å; L373-Y387 VanDerWaalsContact CB-OH 3.28Å; L373-Y387 WeakPolarHBondContact CB-OH 3.2Å; L373-Y387 HydrophobicContact CD1-CE1 4.19Å; L373-Y387 HydrophobicContact CD1-CE2 3.86Å
374R52.8Low48.2Very low174 Ų174127.4 Ų127.466%0.65764%0.642SS**BIsolated β-bridgetrans-68.7129.8172.8-71.1177.5174.6-119.16.9108.9A372 G379 E380A372-R374 PolarHBondContact O-N 3.22Å; R374-G379 WeakPolarHBondContact CD-O 3.12Å; R374-G379 VanDerWaalsContact CG-O 3.27Å; R374-G379 WeakPolarHBondContact CG-O 3.44Å; R374-G379 PolarHBondContact NH1-O 3.42Å; R374-E380 CarbonylContact C-O 3.52Å; R374-E380 VanDerWaalsContact CA-O 3.25Å; R374-E380 WeakPolarHBondContact CA-O 3.19Å
375N56.4Low49.2Very low67 Ų67125.7 Ų125.736%0.35863%0.632SS.*  trans-55.4122.8166.8175.7-16000108.1I377 T378 G379 E380N375-I377 PolarHBondContact O-N 3.05Å; N375-I377 VanDerWaalsContact O-N 3.1Å; N375-I377 WeakPolarHBondContact OD1-CB 3.37Å; N375-I377 PolarHBondContact OD1-N 3.41Å; N375-T378 WeakPolarHBondContact CB-OG1 3.26Å; N375-T378 PolarHBondContact O-N 3.2Å; N375-G379 WeakPolarHBondContact O-CA 3.4Å; N375-G379 PolarHBondContact O-N 2.76Å; N375-E380 PolarHBondContact N-O 2.95Å
376P58.2Low50.1Low120 Ų120122.2 Ų122.278%0.77962%0.618SS**THydrogen-bonded Turntrans-65.6-14.4-17626.6-34.8000113.5
377I51Low50.9Low156 Ų156118.6 Ų118.680%0.859%0.593SS**THydrogen-bonded Turntrans-91.1-44.2178.8-55.6176.4000111.7N375N375-I377 PolarHBondContact O-N 3.05Å; N375-I377 VanDerWaalsContact O-N 3.1Å; N375-I377 WeakPolarHBondContact OD1-CB 3.37Å; N375-I377 PolarHBondContact OD1-N 3.41Å
378T63.3Low51.7Low83 Ų83112.2 Ų112.251%0.50958%0.576SS.*THydrogen-bonded Turntrans-100.4-17.6-175.4670000114.2N375 E380N375-T378 WeakPolarHBondContact CB-OG1 3.26Å; N375-T378 PolarHBondContact O-N 3.2Å; T378-E380 PolarHBondContact O-N 2.92Å; T378-E380 PolarHBondContact OG1-N 2.75Å
379G58.7Low52.3Low28 Ų28110.4 Ų110.429%0.28957%0.573SS.*  trans73.1-2.7-176.400000114.8R374 N375R374-G379 WeakPolarHBondContact CD-O 3.12Å; R374-G379 VanDerWaalsContact CG-O 3.27Å; R374-G379 WeakPolarHBondContact CG-O 3.44Å; R374-G379 PolarHBondContact NH1-O 3.42Å; N375-G379 WeakPolarHBondContact O-CA 3.4Å; N375-G379 PolarHBondContact O-N 2.76Å
380E61Low53.1Low141 Ų141109.5 Ų109.566%0.65957%0.568SS**PPolyproline II helixtrans-84.8146.5174.7-65.1-177.512900111R374 N375 T378R374-E380 CarbonylContact C-O 3.52Å; R374-E380 VanDerWaalsContact CA-O 3.25Å; R374-E380 WeakPolarHBondContact CA-O 3.19Å; N375-E380 PolarHBondContact N-O 2.95Å; T378-E380 PolarHBondContact O-N 2.92Å; T378-E380 PolarHBondContact OG1-N 2.75Å
381G58.3Low53.9Low42 Ų42104.6 Ų104.643%0.43356%0.559SS.*BIsolated β-bridgetrans-81.1130.1175.800000111.4
382M55.6Low54.3Low80 Ų80101.2 Ų101.239%0.39455%0.551SS.*PPolyproline II helixtrans-62.9145.8162.5-116.1166.571.700109.2L373 D386 Y387 L390L373-M382 PolarHBondContact O-N 2.79Å; M382-D386 HydrophobicContact CE-CB 3.69Å; M382-D386 HydrophobicContact CG-CB 4.1Å; M382-Y387 HydrophobicContact CB-CE2 3.86Å; M382-Y387 HydrophobicContact CE-CD1 4.33Å; M382-Y387 HydrophobicContact CE-CD2 4.08Å; M382-Y387 HydrophobicContact CE-CE1 4.11Å; M382-Y387 HydrophobicContact CE-CE2 3.87Å; M382-Y387 HydrophobicContact CE-CG 4.3Å; M382-L390 HydrophobicContact CE-CD1 4.43Å
383C53.4Low54.6Low75 Ų75104.5 Ų104.551%0.50756%0.558SS.*PPolyproline II helixtrans-75.8152.2176.8-74.50000110.6S385 D386C383-S385 WeakPolarHBondContact CB-OG 3.46Å; C383-S385 PolarHBondContact O-N 3.27Å; C383-S385 VanDerWaalsContact O-N 3.1Å; C383-D386 WeakPolarHBondContact CB-OD2 3.22Å; C383-D386 PolarHBondContact N-OD2 3.28Å; C383-D386 WeakPolarHBondContact O-CB 3.46Å; C383-D386 PolarHBondContact O-N 3.2Å
384D53Low54.1Low144 Ų144102.7 Ų102.777%0.7755%0.552SS**THydrogen-bonded Turntrans-61.5-21.1179.7-65.6-42.2000112.4
385S55.4Low53.9Low64 Ų6499.2 Ų99.245%0.44855%0.554SS.*THydrogen-bonded Turntrans-58.5-44.6168.5400000113C383 Y387 I388C383-S385 WeakPolarHBondContact CB-OG 3.46Å; C383-S385 PolarHBondContact O-N 3.27Å; C383-S385 VanDerWaalsContact O-N 3.1Å; S385-Y387 PolarHBondContact O-N 2.74Å; S385-I388 WeakPolarHBondContact O-CB 3.27Å; S385-I388 PolarHBondContact O-N 3.28Å
386D55.2Low53.6Low67 Ų67104 Ų10436%0.35858%0.575SS.*Hα-helixtrans-75-20-164.2-43-16.8000110.7M382 C383 I388M382-D386 HydrophobicContact CE-CB 3.69Å; M382-D386 HydrophobicContact CG-CB 4.1Å; C383-D386 WeakPolarHBondContact CB-OD2 3.22Å; C383-D386 PolarHBondContact N-OD2 3.28Å; C383-D386 WeakPolarHBondContact O-CB 3.46Å; C383-D386 PolarHBondContact O-N 3.2Å; D386-I388 VanDerWaalsContact C-N 3.34Å
387Y50.7Low52.9Low84 Ų84105.9 Ų105.933%0.32957%0.567SS.*Hα-helixtrans-74.8-17.6171.1-80.3-74.6000114.2L373 M382 S385L373-Y387 HydrophobicContact CB-CE2 4.09Å; L373-Y387 VanDerWaalsContact CB-OH 3.28Å; L373-Y387 WeakPolarHBondContact CB-OH 3.2Å; L373-Y387 HydrophobicContact CD1-CE1 4.19Å; L373-Y387 HydrophobicContact CD1-CE2 3.86Å; M382-Y387 HydrophobicContact CB-CE2 3.86Å; M382-Y387 HydrophobicContact CE-CD1 4.33Å; M382-Y387 HydrophobicContact CE-CD2 4.08Å; M382-Y387 HydrophobicContact CE-CE1 4.11Å; M382-Y387 HydrophobicContact CE-CE2 3.87Å; M382-Y387 HydrophobicContact CE-CG 4.3Å; S385-Y387 PolarHBondContact O-N 2.74Å
388I51.1Low52.4Low104 Ų104108.1 Ų108.153%0.53357%0.567SS.*Hα-helixtrans-83.1-36.6-175.4-59.4175.2000110.9S385 D386 L390 L391S385-I388 WeakPolarHBondContact O-CB 3.27Å; S385-I388 PolarHBondContact O-N 3.28Å; D386-I388 VanDerWaalsContact C-N 3.34Å; I388-L390 PolarHBondContact O-N 2.9Å; I388-L391 WeakPolarHBondContact O-CB 3.23Å; I388-L391 PolarHBondContact O-N 3.09Å; I388-L391 VanDerWaalsContact O-N 3.09Å
389D50.4Low51.4Low97 Ų97112 Ų11252%0.51958%0.577SS.*Hα-helixtrans-70.8-30.2179.8-73-38.9000113L391 K392D389-L391 PolarHBondContact O-N 3.09Å; D389-L391 VanDerWaalsContact O-N 3.15Å; D389-K392 PolarHBondContact O-N 3.44Å; D389-K392 VanDerWaalsContact O-N 3.12Å; D389-K392 WeakPolarHBondContact OD1-CD 3.35Å; D389-K392 WeakPolarHBondContact OD1-CE 3.45Å; D389-K392 IonicContact OD1-NZ 2.64Å; D389-K392 PolarHBondContact OD1-NZ 2.82Å
390L51.5Low50.4Low131 Ų131122.4 Ų122.469%0.68661%0.608SS**THydrogen-bonded Turntrans-66.7-9.4170.5-67.8174.2000113.9M382 I388M382-L390 HydrophobicContact CE-CD1 4.43Å; I388-L390 PolarHBondContact O-N 2.9Å
391L52.8Low49.2Very low142 Ų142125.9 Ų125.974%0.74362%0.615SS**THydrogen-bonded Turntrans-100.8-3.4174.8-70.8166.5000113.3I388 D389 L393I388-L391 WeakPolarHBondContact O-CB 3.23Å; I388-L391 PolarHBondContact O-N 3.09Å; I388-L391 VanDerWaalsContact O-N 3.09Å; D389-L391 PolarHBondContact O-N 3.09Å; D389-L391 VanDerWaalsContact O-N 3.15Å; L391-L393 PolarHBondContact O-N 2.88Å
392K53.2Low48.1Very low151 Ų151130.3 Ų130.366%0.65763%0.629SS**  trans-79.153.8171.9-66.9176.8179.2165.60111.9D389D389-K392 PolarHBondContact O-N 3.44Å; D389-K392 VanDerWaalsContact O-N 3.12Å; D389-K392 WeakPolarHBondContact OD1-CD 3.35Å; D389-K392 WeakPolarHBondContact OD1-CE 3.45Å; D389-K392 IonicContact OD1-NZ 2.64Å; D389-K392 PolarHBondContact OD1-NZ 2.82Å
393L50.6Low47.2Very low139 Ų139136.3 Ų136.373%0.72865%0.647SS**  trans-66.4132165.4-72.1174000109L391L391-L393 PolarHBondContact O-N 2.88Å
394P43.7Very low46.3Very low67 Ų67139.4 Ų139.444%0.43566%0.658SS.*  trans-56.2141.3175.6-25.334.1000111.7E396 Y397P394-E396 PolarHBondContact O-N 3Å; P394-Y397 HydrophobicContact CB-CD2 4.35Å; P394-Y397 HydrophobicContact CG-CD2 4.42Å; P394-Y397 PolarHBondContact O-N 2.84Å
395S47.4Very low45.6Very low101 Ų101138.5 Ų138.571%0.70666%0.658SS**G310 helixtrans-59.5-13.9177.840.50000113.9Y398S395-Y398 WeakPolarHBondContact O-CD2 3.25Å
396E50.6Low44.8Very low169 Ų169143.2 Ų143.279%0.7968%0.678SS**G310 helixtrans-73.5-21.7176.2-67.3156.7-176.800113.2P394 Y398P394-E396 PolarHBondContact O-N 3Å; E396-Y398 PolarHBondContact O-N 3.41Å
397Y43.7Very low43.7Very low158 Ų158144.7 Ų144.762%0.6269%0.693SS**G310 helixtrans-82.815.7-178.8-86.3-82.4000115P394 F399P394-Y397 HydrophobicContact CB-CD2 4.35Å; P394-Y397 HydrophobicContact CG-CD2 4.42Å; P394-Y397 PolarHBondContact O-N 2.84Å; Y397-F399 VanDerWaalsContact C-N 3.27Å; Y397-F399 HydrophobicContact CD1-CE2 4.13Å; Y397-F399 PolarHBondContact O-N 2.98Å
398Y40.2Very low42.7Very low203 Ų203145.9 Ų145.980%0.79671%0.714SS**  trans-73.279.4166.1-85.3-87.2000111.3S395 E396 R400S395-Y398 WeakPolarHBondContact O-CD2 3.25Å; E396-Y398 PolarHBondContact O-N 3.41Å; Y398-R400 PolarHBondContact O-N 2.97Å
399F43Very low41.9Very low164 Ų164147.4 Ų147.472%0.71973%0.728SS**  trans-47.4123.9169.1-84.5-86.2000111.1Y397 R401Y397-F399 VanDerWaalsContact C-N 3.27Å; Y397-F399 HydrophobicContact CD1-CE2 4.13Å; Y397-F399 PolarHBondContact O-N 2.98Å; F399-R401 VanDerWaalsContact C-N 3.27Å; F399-R401 PolarHBondContact O-N 3.01Å
400R36.8Very low41.3Very low247 Ų247150 Ų15093%0.93274%0.741SS**  trans-65.276.6-177.8-65.8-175.3177.7-152.41.8112.1Y398 N402Y398-R400 PolarHBondContact O-N 2.97Å; R400-N402 PolarHBondContact O-N 3.09Å
401R37.2Very low40.5Very low215 Ų215150.4 Ų150.481%0.81174%0.744SS**  trans-7994.7167.2-90.9-179.2-85.6147.3-5.3109.5F399 R403F399-R401 VanDerWaalsContact C-N 3.27Å; F399-R401 PolarHBondContact O-N 3.01Å; R401-R403 PolarHBondContact O-N 3.35Å
402N34.5Very low39.7Very low135 Ų135150 Ų15072%0.72274%0.741SS**  trans24.592.3161-54.714.3000114.2R400 D404R400-N402 PolarHBondContact O-N 3.09Å; N402-D404 PolarHBondContact O-N 3.25Å
403R36.1Very low38.8Very low206 Ų206148.7 Ų148.778%0.77774%0.737SS**  trans-82.81.5173.4-164.3170.6173.2169.7-2.5111.9R401 T405R401-R403 PolarHBondContact O-N 3.35Å; R403-T405 PolarHBondContact O-N 2.91Å
404D36.1Very low38Very low140 Ų140147.7 Ų147.775%0.74974%0.739SS**THydrogen-bonded Turntrans-101.274.5-164.4-46.2-72.9000110N402N402-D404 PolarHBondContact O-N 3.25Å
405T37.9Very low37.8Very low125 Ų125151.4 Ų151.477%0.76775%0.75SS**THydrogen-bonded Turntrans-165-23.5169.79.10000114R403R403-T405 PolarHBondContact O-N 2.91Å
406L38.7Very low37.4Very low163 Ų163151.8 Ų151.885%0.85375%0.753SS**SBendtrans-135.942.6-172.4-66.3175.3000113.3
407S31.2Very low36.8Very low97 Ų97149.4 Ų149.468%0.67875%0.752SS**  trans-144.550.7177-71.10000113.3
408S30.7Very low36.3Very low109 Ų109147.9 Ų147.976%0.76276%0.762SS**SBendtrans-128.7142.4157.6-176.70000107.5
409T34Very low36.3Very low137 Ų137145.2 Ų145.284%0.8477%0.766SS**SBendtrans78.838.2-175.276.60000120.1
410L37.9Very low36.1Very low151 Ų151146 Ų14679%0.79177%0.772SS**  trans-139.966.2154.9-103-179.3000113I412L410-I412 VanDerWaalsContact C-N 3.33Å; L410-I412 HydrophobicContact CD2-CD1 4.11Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 PolarHBondContact O-N 3.37Å
411N33.9Very low36Very low139 Ų139140 Ų14074%0.74377%0.765SS**  trans-80.375.1176.3-170.7-0.1000111.1H413N411-H413 PolarHBondContact O-N 2.63Å; N411-H413 VanDerWaalsContact O-N 3.16Å; N411-H413 PolarHBondContact OD1-ND1 3.25Å; N411-H413 VanDerWaalsContact OD1-ND1 3.16Å
412I35.4Very low35.9Very low135 Ų135136 Ų13669%0.69277%0.769SS**  trans-7994176.4-54-179.8000109.2L410L410-I412 VanDerWaalsContact C-N 3.33Å; L410-I412 HydrophobicContact CD2-CD1 4.11Å; L410-I412 HydrophobicContact CD2-CG1 3.96Å; L410-I412 PolarHBondContact O-N 3.37Å
413H35.2Very low35.8Very low123 Ų123134.8 Ų134.857%0.56977%0.772SS**  trans-68.2128.6167.4-98.449.7000110.8N411 H415N411-H413 PolarHBondContact O-N 2.63Å; N411-H413 VanDerWaalsContact O-N 3.16Å; N411-H413 PolarHBondContact OD1-ND1 3.25Å; N411-H413 VanDerWaalsContact OD1-ND1 3.16Å; H413-H415 AromaticContact CD2-NE2 3.73Å; H413-H415 PolarHBondContact O-N 3.23Å; H413-H415 VanDerWaalsContact O-N 3.12Å
414P34.2Very low35.7Very low118 Ų118130.6 Ų130.677%0.76677%0.769SS**  trans-83.387.8-179.432.9-33.9000111.1
415H39.7Very low35.7Very low145 Ų145129.5 Ų129.567%0.67177%0.768SS**  trans-123.4104.5178.2-71.5-21.4000113.1H413H413-H415 AromaticContact CD2-NE2 3.73Å; H413-H415 PolarHBondContact O-N 3.23Å; H413-H415 VanDerWaalsContact O-N 3.12Å
416S37.7Very low35.6Very low108 Ų108129.5 Ų129.576%0.75577%0.768SS**  trans56.3136.3139.7-52.90000120.9
417P37.9Very low35.6Very low119 Ų119127.6 Ų127.677%0.77377%0.765SS**  trans-71.7157.7179.431.4-36000113.2
418P34Very low35.9Very low127 Ų127128.7 Ų128.783%0.82577%0.773SS**  trans-86147.7-16633.7-36.7000114.6
419V40.4Very low36.1Very low146 Ų146128.8 Ų128.889%0.88577%0.769SS**  trans-129.7152.3163.9-1780000109.2
420Q39.5Very low36.2Very low182 Ų182129.1 Ų129.185%0.8577%0.766SS**  trans-65.1159.5-156.2-70.2175.5-76.100117.3
421P32.9Very low36.2Very low121 Ų121128.6 Ų128.679%0.78677%0.769SS**  trans-84.4162.1178.436.1-37.5000113.7
422S35.9Very low36.3Very low129 Ų129126.1 Ų126.190%0.90277%0.768SS**  trans-140142.8157.6-81.40000109.9
423S32.8Very low36.6Very low110 Ų110125.7 Ų125.777%0.76977%0.771SS**  trans-87.6168.4-172.1530000114
424T34.9Very low36.8Very low119 Ų119125 Ų12573%0.7378%0.78SS**  168.6111125.9-72.90000112.5
425T35.6Very low37.1Very low117 Ų117124.8 Ų124.872%0.71878%0.776SS**  46.1129.9121.6-40.90000119
426T35.5Very low37.2Very low125 Ų125127.1 Ų127.177%0.76779%0.785SS**  cis-167.1163.62.221.70000110.9
427P39.4Very low37.2Very low122 Ų122130.5 Ų130.579%0.79279%0.786SS**  trans-95.8170.7168.939.1-34.5000113.9
428S36.2Very low37.2Very low121 Ų121130.8 Ų130.885%0.84679%0.785SS**  trans-153.6157.2161.9-167.60000111.8
429T34.5Very low37.8Very low110 Ų110130.1 Ų130.168%0.67578%0.781SS**  trans-125.7163.2-172.456.40000112.7
430N36.7Very low37.7Very low144 Ų144127.2 Ų127.277%0.7777%0.772SS**  trans143.8134.3133.7-71-20.2000113.4
431T38.1Very low37.7Very low141 Ų141126.7 Ų126.787%0.86577%0.77SS**  173.8148.9110.9-680000109.5
432A36.3Very low37.9Very low86 Ų86128.3 Ų128.371%0.71176%0.764SS**  trans-110.4-171-176.600000112
433V40.2Very low38.2Very low126 Ų126128 Ų12876%0.76475%0.752SS**  161.7129.4124.8158.10000114.4
434S40.1Very low38.3Very low108 Ų108126.5 Ų126.576%0.75575%0.746SS**  trans67.4157.6153.4-73.80000123.5
435V40.3Very low38.2Very low115 Ų115128 Ų12870%0.69775%0.75SS**  cis174.6163.7-37.7131.20000111
436K42.1Very low38.2Very low194 Ų194127.7 Ų127.784%0.84375%0.753SS**  trans79.3147.2168.8-81.2156.1-172172.20117.1
437K38.2Very low38.1Very low178 Ų178127.6 Ų127.677%0.77475%0.752SS**  cis-169.1107.4-7.6178.8-171.5177.9-166.60114.8
438V36.7Very low38.1Very low125 Ų125127.6 Ų127.676%0.75876%0.755SS**  45.8138.2106.9157.70000121.1
439P47.1Very low37.8Very low114 Ų114131.2 Ų131.274%0.7476%0.755SS**  -147.3-139-50.345.9-22.8000112.8
440A38Very low38.1Very low84 Ų84130.6 Ų130.669%0.69475%0.754SS**  trans82.2149.816200000117.1
441Q39.9Very low37.9Very low172 Ų172129.7 Ų129.780%0.80475%0.754SS**  cis-168170.3-9-115.6-178.834.200107.3
442K38.5Very low37.6Very low154 Ų154127.5 Ų127.567%0.6775%0.75SS**  cis-157.9-166.4-5.1-141.9173.5174.8-80.10105.3
443D40.4Very low37.6Very low123 Ų123129.5 Ų129.566%0.65876%0.758SS**  cis-158.7-173.82-146-15.2000112.9
444A35.8Very low37.4Very low78 Ų78133 Ų13365%0.64576%0.763SS**  trans-82.3159.1171.700000113.9
445N31.8Very low37.4Very low151 Ų151134.1 Ų134.181%0.80777%0.768SS**  cis100.8112.223.5-176.731.4000115.6
446S36.6Very low36.9Very low110 Ų110138.8 Ų138.877%0.76977%0.773SS**  trans172174.6155.646.60000111.6
447T32.8Very low36.6Very low123 Ų123136.6 Ų136.676%0.75577%0.766SS**  -179.6123.3-51.9-80.50000108.4
448S39.2Very low36.6Very low123 Ų123136.7 Ų136.786%0.8677%0.769SS**  trans-177.3165.5153.737.50000114.8
449K31.5Very low36.4Very low196 Ų196137 Ų13785%0.85277%0.772SS**  trans-167.8178.9-172.2-114.4-166.7174.1177.90106.8
450P39.8Very low36.3Very low98 Ų98137 Ų13764%0.63677%0.772SS**  cis-135.9-150.1-36.737.2-16.4000112.1
451T32.5Very low36.5Very low125 Ų125138.7 Ų138.777%0.76778%0.775SS**  trans86.9102.1146.231.50000123.7
452A31.4Very low36.4Very low95 Ų95136.2 Ų136.279%0.78577%0.774SS**  70.4126.1112.900000123.6
453S36.1Very low37Very low128 Ų128135 Ų13590%0.89578%0.781SS**  -165.3167128.249.30000111.9
454K36.9Very low36.9Very low199 Ų199134.7 Ų134.787%0.86579%0.789SS**  trans-136.5152.6177.2-102.6-169.8178.2-176.40109.5
455P38.9Very low36.8Very low132 Ų132139.6 Ų139.686%0.85780%0.799SS**  trans-116.5-164.1143.8181.2000112.4
456R31.2Very low37.4Very low212 Ų212138.4 Ų138.480%0.880%0.799SS**  trans-150.6174.4-153.4-171.9-178-176-161.15110.5
457H34.8Very low37.1Very low148 Ų148138.9 Ų138.969%0.68580%0.798SS**  trans80.4152.1175.9-47.9-81.7000113.4
458Q38.3Very low37.2Very low180 Ų180139.9 Ų139.984%0.84180%0.798SS**  cis-147.9164.68.3-145.316562.400110.6
459T32.1Very low36.7Very low133 Ų133139.7 Ų139.782%0.81679%0.792SS**  trans-120.4133.6-174.7-41.80000112.1
460P46.7Very low36.9Very low114 Ų114139.6 Ų139.674%0.7479%0.794SS**PPolyproline II helixtrans-86162.5173.134.4-34.3000113.6
461P42.4Very low36.5Very low118 Ų118143.6 Ų143.677%0.76680%0.804SS**PPolyproline II helixtrans-91.5165.9-17337-37000114.8
462P37.3Very low36.8Very low121 Ų121142.9 Ų142.979%0.78680%0.802SS**PPolyproline II helixtrans-86.5143.517734.4-34.4000113.6
463P49.5Very low37.2Very low127 Ų127144.5 Ų144.583%0.82580%0.804SS**PPolyproline II helixtrans-87.9158169.334.7-33.3000113.3
464S39.5Very low37Very low118 Ų118146.3 Ų146.383%0.82580%0.796SS**PPolyproline II helixtrans-85.8161-167.5-52.20000115.8
465Q33.3Very low37.1Very low180 Ų180144.9 Ų144.984%0.84180%0.797SS**PPolyproline II helixtrans-69.3144.7165.9-67.3179.2-25.800112.5
466P44.1Very low36.8Very low126 Ų126145.1 Ų145.182%0.81879%0.787SS**PPolyproline II helixtrans-99.9154149.535.6-28.8000111.6
467T30.4Very low37.5Very low121 Ų121141.1 Ų141.174%0.74279%0.789SS**  trans-117.5166-169.5-27.10000112.7
468L34.4Very low37.7Very low144 Ų144143.1 Ų143.175%0.75480%0.795SS**  trans84124.7155.2-66.8163.9000120.8
469T29.5Very low37.6Very low119 Ų119140.6 Ų140.673%0.7379%0.792SS**  trans62.1134140.959.40000119.5
470Q36.5Very low37.7Very low193 Ų193143.2 Ų143.290%0.90280%0.795SS**  cis-147.9177.147-73.5177.949.400113.6
471Q30.4Very low37.2Very low182 Ų182146.8 Ų146.885%0.8580%0.798SS**  trans-134.1126.5-176.2179.1-175.910.100111.7
472P39.7Very low37.1Very low111 Ų111146.7 Ų146.772%0.72180%0.801SS**PPolyproline II helixtrans-92.2166.4167.434.2-29.9000112.8
473P39.1Very low36.9Very low128 Ų128146.2 Ų146.283%0.83180%0.796SS**PPolyproline II helixtrans-95.2165.8-142.7-8.928.2000117.7
474K33Very low36.4Very low166 Ų166145.9 Ų145.972%0.72279%0.794SS**PPolyproline II helixtrans-83.3133.1171.6-165.6-171-170.9-163.40110.7E476K474-E476 HydrophobicContact CD-CG 4.4Å; K474-E476 VanDerWaalsContact CE-OE1 3.26Å; K474-E476 WeakPolarHBondContact CE-OE1 3.26Å; K474-E476 IonicContact NZ-OE1 2.79Å; K474-E476 PolarHBondContact NZ-OE1 3.32Å
475L38.3Very low36.5Very low169 Ų169148.6 Ų148.689%0.88579%0.793SS**  trans-111.3136.7167.3-77167.6000109.5
476E33.1Very low36.6Very low137 Ų137146 Ų14664%0.6479%0.792SS**  trans-125.7120.2176.9-70.1-176.8179.100110.6K474K474-E476 HydrophobicContact CD-CG 4.4Å; K474-E476 VanDerWaalsContact CE-OE1 3.26Å; K474-E476 WeakPolarHBondContact CE-OE1 3.26Å; K474-E476 IonicContact NZ-OE1 2.79Å; K474-E476 PolarHBondContact NZ-OE1 3.32Å
477P45.9Very low36.5Very low129 Ų129147.5 Ų147.584%0.83879%0.792SS**  trans-83.3139.1157.932.5-28.9000110.3
478K38.3Very low36.9Very low189 Ų189149.5 Ų149.582%0.82279%0.792SS**  trans-90.7178169.9-64.1173.9179.6173.50109.9
479V36.5Very low37.5Very low127 Ų127151.7 Ų151.777%0.7780%0.796SS**  trans77.6131.3166.3-173.60000112.4
480E34.6Very low38.4Very low188 Ų188154.4 Ų154.488%0.87980%0.798SS**  cis-139.6170.81.2-145.6155.2-16200112
481K35.8Very low38.6Very low189 Ų189151.4 Ų151.482%0.82279%0.792SS**  trans-123.690.4-176.8-172.3178.5-178.7177.70111.9
482S39.3Very low39.2Very low117 Ų117150 Ų15082%0.81879%0.789SS**  trans-85.8135.2170.753.60000111.2
483T34.4Very low39.2Very low110 Ų110155.1 Ų155.168%0.67579%0.794SS**  trans-116115.6-176.4-54.90000110.1
484P39Very low39.6Very low121 Ų121154.8 Ų154.879%0.78679%0.792SS**PPolyproline II helixtrans-66.8132167.6-17.631.7000110.4
485Q39.9Very low40.4Very low174 Ų174156.6 Ų156.681%0.81380%0.8SS**PPolyproline II helixtrans-77.2151.3178.2-68.8-174-200111.9I487Q485-I487 PolarHBondContact O-N 2.79Å
486P37.2Very low40.5Very low126 Ų126157.9 Ų157.982%0.81880%0.798SS**PPolyproline II helixtrans-68.9126.9173.529.1-34.2000110.9E488P486-E488 PolarHBondContact O-N 3.21Å
487I40.7Very low41.1Very low157 Ų157156.8 Ų156.881%0.80580%0.803SS**  trans-80.4113.9175.3-60.6175.2000109.2Q485 K489Q485-I487 PolarHBondContact O-N 2.79Å; I487-K489 PolarHBondContact O-N 3.43Å
488E39.8Very low40.7Very low163 Ų163159.9 Ų159.976%0.76281%0.806SS**  trans-65.695.3176.5-68-167.5156.600112.4P486 K490P486-E488 PolarHBondContact O-N 3.21Å; E488-K490 PolarHBondContact O-N 3.33Å
489K46.6Very low40.6Very low191 Ų191159.3 Ų159.383%0.8381%0.809SS**  trans-7389.4165.5-73.6-171.7176.5-178.70110.1I487 V491I487-K489 PolarHBondContact O-N 3.43Å; K489-V491 PolarHBondContact O-N 3.43Å; K489-V491 VanDerWaalsContact O-N 3.07Å
490K47.6Very low40.6Very low175 Ų175161.4 Ų161.476%0.76182%0.815SS**  trans-56.6109.3174.1-78.7178.6177.9172.10111.3E488 I492E488-K490 PolarHBondContact O-N 3.33Å; K490-I492 PolarHBondContact O-N 3.25Å; K490-I492 VanDerWaalsContact O-N 3.15Å
491V40.5Very low40.4Very low130 Ų130159.1 Ų159.179%0.78881%0.814SS**  trans-74.7100.9174.2178.80000109.5K489 R493K489-V491 PolarHBondContact O-N 3.43Å; K489-V491 VanDerWaalsContact O-N 3.07Å; V491-R493 PolarHBondContact O-N 3.48Å
492I43.9Very low40.4Very low154 Ų154157.7 Ų157.779%0.7981%0.81SS**  trans-79.6109.1171.3-59.9177.2000108.3K490K490-I492 PolarHBondContact O-N 3.25Å; K490-I492 VanDerWaalsContact O-N 3.15Å
493R40.5Very low40.4Very low218 Ų218160.2 Ų160.282%0.82381%0.806SS**PPolyproline II helixtrans-78.5130.6167.6-71.8-176.4175.4179.9-0.9109.6V491V491-R493 PolarHBondContact O-N 3.48Å
494P46.3Very low40.4Very low121 Ų121163.4 Ų163.479%0.78681%0.814SS**PPolyproline II helixtrans-64.6139.4170.627.2-33.3000110.4
495K51.1Low40.5Very low203 Ų203162.4 Ų162.488%0.88381%0.807SS**PPolyproline II helixtrans-72139.2172.9-78.5-177174.9-179.60110.1
496K39Very low40.4Very low196 Ų196161.1 Ų161.185%0.85281%0.811SS**PPolyproline II helixtrans-70.9125.6167.9-172179.8-177.2-176.30108.7
497P46.9Very low40.4Very low115 Ų115164 Ų16475%0.74781%0.81SS**PPolyproline II helixtrans-71.2138.917429-33.2000110.5
498E37.6Very low40.1Very low193 Ų193165.1 Ų165.190%0.90281%0.812SS**PPolyproline II helixtrans-102.6117.6175.5-174.9167-128.500107.5
499M36.3Very low39.8Very low178 Ų178163.8 Ų163.888%0.87781%0.81SS**PPolyproline II helixtrans-95.4131.6-179.5-87-164.668.600111.6
500L36.7Very low39.6Very low171 Ų171163.2 Ų163.290%0.89581%0.808SS**PPolyproline II helixtrans-74.8158.5-177-76.9156.7000113.4
501T30.4Very low39.4Very low139 Ų139163.5 Ų163.585%0.85381%0.812SS**PPolyproline II helixtrans-102.7121.8-178.6-59.20000112
502E34.7Very low39.4Very low160 Ų160162.5 Ų162.575%0.74881%0.808SS**  trans-157.1140.9169.7-95-153.2140.300107.3
503K38.6Very low39.2Very low169 Ų169162 Ų16274%0.73581%0.812SS**  cis-140.7160.54-59.9-169.4167176.50112.9
504Q35Very low39.1Very low178 Ų178155.1 Ų155.183%0.83281%0.808SS**  trans-77.5-171.7158-99.6-169.95.500111.5
505P40.6Very low38.7Very low99 Ų99154.6 Ų154.664%0.64381%0.808SS**  cis-137.9173.6-39.937.2-21.4000113.4
506V38.2Very low38.2Very low148 Ų148150.9 Ų150.990%0.89780%0.802SS**  trans-138.7149.7151.9-174.60000109.8
507K37Very low38.1Very low187 Ų187147.1 Ų147.181%0.81380%0.795SS**  trans-113.4151.7179.9-54.4170.1-178.5173.30110.9
508E35.2Very low37.8Very low180 Ų180149.8 Ų149.884%0.84180%0.798SS**  trans-150.8169131.8-129.7-166.9131.900112.5
509N33.3Very low37.9Very low134 Ų134146.3 Ų146.372%0.71780%0.795SS**  trans-119.4150.1-165.1-74.5-58.6000113.6
510K42.7Very low38.3Very low179 Ų179147 Ų14778%0.77880%0.796SS**  trans160141.8138.8-85.7146.5-167.4161.20109.2
511Q42.1Very low38.4Very low182 Ų182143.9 Ų143.985%0.8579%0.786SS**  cis-158.1168.9-23.9-118.3-172.9-82.800106.7
512P41.4Very low38.8Very low109 Ų109145 Ų14571%0.70879%0.785SS**  trans-106.3-179-159.541.6-38.7000115.2
513V39.3Very low38.7Very low143 Ų143142.2 Ų142.287%0.86778%0.779SS**  -174.4132.3124.4143.50000111.8
514G38Very low38.5Very low73 Ų73142.5 Ų142.575%0.75378%0.783SS**  trans73.6140.6159.400000118.8
515S39.4Very low38.4Very low111 Ų111140.5 Ų140.578%0.77678%0.783SS**  cis-166.1133.9-13.649.70000111.8
516V39.3Very low38.1Very low124 Ų124144.3 Ų144.375%0.75279%0.792SS**  trans37.2118.6143.6-162.50000117.5
517T37.5Very low37.9Very low117 Ų117145 Ų14572%0.71879%0.79SS**  -163.5129.966.5-36.30000107.4
518Q39.9Very low37.7Very low172 Ų172140.6 Ų140.680%0.80478%0.783SS**  41.4132.188.5-78.4176.8-16.600114.3
519S39.4Very low37.5Very low119 Ų119137.9 Ų137.983%0.83278%0.778SS**  cis-140.1-179.524.7-67.80000114.2
520Q45Very low37.6Very low194 Ų194140.3 Ų140.391%0.90778%0.783SS**  trans-111.6176.1-170.3-104-153.3-0.700114.7
521P39.9Very low36.8Very low104 Ų104141.3 Ų141.368%0.67579%0.79SS**  trans-103.2179.3-155.441.6-39.4000116.6
522I38.4Very low36.4Very low162 Ų162137.3 Ų137.383%0.83179%0.788SS**  trans-137.8116.9165.6-49.5175.9000104.2
523T32.4Very low36Very low103 Ų103140.7 Ų140.763%0.63279%0.794SS**  cis89.6121.449.8-58.70000112.7
524E35.2Very low35.9Very low175 Ų175139.6 Ų139.682%0.81879%0.79SS**  trans59.7130.6168-70.4159.9-163.200117.6
525T31.4Very low35.7Very low135 Ų135145 Ų14583%0.82880%0.796SS**  -162.1153.765.7-64.50000111.4
526Q35Very low35.1Very low180 Ų180145.4 Ų145.484%0.84179%0.794SS**  trans-90.6160.1175.2-65.5-17365.400113.4
527L34.6Very low35.1Very low163 Ų163145.6 Ų145.685%0.85380%0.798SS**  trans145.3114.5151.3-79.2161000107.4
528S32.1Very low35.1Very low94 Ų94149.1 Ų149.166%0.65780%0.803SS**  62.198.764.5-1680000113.9
529T31.2Very low34.8Very low122 Ų122149.3 Ų149.375%0.74881%0.806SS**  -176.3150.2114.522.70000114
530K35.5Very low34.5Very low186 Ų186149.4 Ų149.481%0.80980%0.801SS**  trans5294.6146.1-66.1180178.2-178.10119.8
531E26.7Very low33.9Very low200 Ų200144.6 Ų144.694%0.93579%0.794SS**  -8.6127.4118.7-176.7172.4-135.800115.9
532A31.9Very low33.5Very low97 Ų97146.7 Ų146.780%0.80280%0.795SS**  trans-148.7132170.700000110.5
533E34.3Very low33.2Very low180 Ų180144.4 Ų144.484%0.84179%0.791SS**PPolyproline II helixtrans-91132.7-172.3-175.9-177.4-135.600112.4
534P36.2Very low33.2Very low121 Ų121146.1 Ų146.179%0.78679%0.792SS**PPolyproline II helixtrans-83.6141.5172.233.1-32.7000112.2
535Q34.7Very low32.7Very low187 Ų187144.7 Ų144.787%0.87480%0.795SS**PPolyproline II helixtrans-89.1163.5-161-63.8169.37.900115.7
536T27.3Very low32.7Very low119 Ų119145.4 Ų145.473%0.7379%0.793SS**PPolyproline II helixtrans-68.9150.4-179.3530000115.3
537P37.4Very low32.5Very low128 Ų128145.2 Ų145.283%0.83179%0.792SS**PPolyproline II helixtrans-81.8147.1145.6-4.924000110.6
538K38.5Very low32.3Very low190 Ų190143.3 Ų143.383%0.82679%0.788SS**  trans-96.9174.3179-65174.1179.4173.30111.9
539M33.1Very low32.2Very low176 Ų176147.3 Ų147.387%0.86780%0.796SS**  trans97.5139.8167.3-61.3179.660.700116.4
540V33.3Very low32.1Very low122 Ų122150.4 Ų150.474%0.73980%0.799SS**  cis-160.1158.7-15.6115.90000109.6
541A31.8Very low31.8Very low92 Ų92150.2 Ų150.276%0.7680%0.801SS**  trans67.8110.9165.800000119.6
542E32.4Very low32.2Very low148 Ų148150 Ų15069%0.69280%0.797SS**  trans-67.1166.7152.3-141.3-173.4-144.700110.5Q544E542-Q544 WeakPolarHBondContact OE2-CG 3.43Å
543P31.2Very low31.9Very low115 Ų115152.2 Ų152.275%0.74780%0.801SS**  -147.5132.98236.4-17.7000116.9
544Q34.1Very low31.9Very low139 Ų139148.7 Ų148.765%0.6579%0.793SS**  42.4117.4127.1-56.2179.22.100120.1E542E542-Q544 WeakPolarHBondContact OE2-CG 3.43Å
545T24.1Very low31.8Very low144 Ų144152.4 Ų152.488%0.88380%0.797SS**  trans-64.5129.8149.940.40000111.4
546L31.4Very low31.8Very low151 Ų151152.5 Ų152.579%0.79180%0.798SS**  trans-147.1118.6158.9-111.7168.8000109.2
547E30.9Very low32.1Very low175 Ų175152.9 Ų152.982%0.81880%0.799SS**  trans-71.2147.3153.9-62.9-167.7131.900108.6
548T29.1Very low32Very low123 Ų123151.1 Ų151.176%0.75580%0.796SS**  trans166.3122.7134-73.80000111.5
549E31.7Very low32.2Very low178 Ų178151.7 Ų151.783%0.83280%0.799SS**  trans53.7156.6155.9-72.7-151.394.400124.8
550K29.2Very low32.3Very low188 Ų188148.2 Ų148.282%0.81779%0.789SS**  trans-72.6142.9172.5-49.8149.7-177.41640110
551Q28.9Very low32.6Very low181 Ų181151.5 Ų151.585%0.84680%0.796SS**  trans-163.1124.9152.6-120.3-179.561.900113.3
552K34.8Very low32.4Very low195 Ų195153.1 Ų153.185%0.84880%0.797SS**  171.8114.4120.1-96168.8-179.21710114
553T26.3Very low32.7Very low145 Ų145151.6 Ų151.689%0.8980%0.8SS**  trans-132.3144.3144.5-3.40000106.7
554P32.8Very low33.1Very low105 Ų105155.4 Ų155.468%0.68281%0.805SS**  trans-125.4164.1-151.742.3-29.9000117.5
555K35.4Very low33.2Very low200 Ų200154.9 Ų154.987%0.8781%0.811SS**  trans81.2115.4162.1-57.2176.9178.3179.10119.3
556E33.1Very low33.8Very low189 Ų189155.3 Ų155.388%0.88380%0.803SS**  -172.6106.3119.6-156.6158.2-163.800107.3
557V34.3Very low34.1Very low126 Ų126156.6 Ų156.676%0.76480%0.802SS**  81111.575.2176.60000115.5
558A35.4Very low34.5Very low92 Ų92153.6 Ų153.676%0.7680%0.798SS**  trans65.7153163.300000118.6
559K41.9Very low34.8Very low202 Ų202157.1 Ų157.188%0.87881%0.806SS**  cis-154.7171.2-17.1-112.7-177177.8-179.20109.1
560P35.2Very low34.8Very low103 Ų103152.9 Ų152.967%0.66980%0.801SS**  trans-119.8172.5-159.542.1-33.8000116.9
561Q39.6Very low35.2Very low191 Ų191149.3 Ų149.389%0.89380%0.797SS**  174.8173.2127-95.4170.342.300115.5
562T29.2Very low35.6Very low126 Ų126150 Ų15077%0.77380%0.798SS**  trans-130.6162.7-17355.50000113.4
563P38.2Very low35.6Very low116 Ų116150.1 Ų150.175%0.75380%0.801SS**  -142.8143.7125.623.5-2.6000113.3
564K39.8Very low35.8Very low195 Ų195148.8 Ų148.885%0.84879%0.793SS**  96.1159.256.9-79.2-173.1177.3-175.50114.8
565T35.4Very low36Very low128 Ų128150.3 Ų150.379%0.78580%0.8SS**  trans83.6138.4160-49.60000117.9
566E38Very low36Very low152 Ų152150 Ų15071%0.7180%0.798SS**  cis-164156.2-45.2-131.4-179.190.500112.8
567K36.7Very low36.1Very low179 Ų179148.5 Ų148.578%0.77880%0.796SS**  trans77.9162.2147.8-83-160.4171.4-175.60124.8
568P38.6Very low36.1Very low112 Ų112150.7 Ų150.773%0.72780%0.798SS**  trans-137.3-174-154.847.4-30.6000116.5
569E36.4Very low36.1Very low197 Ų197152.5 Ų152.592%0.92180%0.799SS**  trans-157.1-180144.7-127.5169179.500114.3
570A31.5Very low36.1Very low88 Ų88148.1 Ų148.173%0.72779%0.792SS**  trans-146.8-163.6-172.800000109.1
571P36.6Very low36.3Very low113 Ų113151.3 Ų151.373%0.73480%0.797SS**  cis-141.4173.7-1.943.7-24.6000118.4
572K37.7Very low36.1Very low197 Ų197148.1 Ų148.186%0.85779%0.791SS**  trans6.2145.6148.3-50.1172.6-177.1175.60122.5
573E35.4Very low36.4Very low197 Ų197145.3 Ų145.392%0.92179%0.787SS**  trans-141.7170.4134.3-149.9175.1-16600111.6
574T31.1Very low36.1Very low117 Ų117148.9 Ų148.972%0.71879%0.794SS**  trans-163.7124.7-163.9-60.10000115.5
575V37.3Very low35.9Very low136 Ų136144.1 Ų144.182%0.82478%0.783SS**  trans-147.9128.6160-167.60000107.7
576K34.5Very low36Very low194 Ų194146.8 Ų146.884%0.84379%0.786SS**  cis91.9131.336.3-107-173177.6-176.30115.6
577L34.6Very low35.7Very low158 Ų158145.8 Ų145.883%0.82779%0.791SS**  trans154.3162.4149.4-85.8170.1000110.1
578Q35.8Very low35.7Very low172 Ų172142.5 Ų142.580%0.80479%0.788SS**  -155.5165-71-156.2163.7-10.600110.4
579T34Very low35.6Very low130 Ų130147.1 Ų147.180%0.79880%0.797SS**  trans-143.2144.1-179.1-37.20000112
580P42Very low35.4Very low110 Ų110141.7 Ų141.771%0.71479%0.793SS**  trans-100143.8162.535.9-29.2000112
581E39.8Very low35.4Very low169 Ų169142.1 Ų142.179%0.7980%0.797SS**  74.1135.953-82.1-145.7-131.700114.8
582T35Very low35.3Very low124 Ų124143.5 Ų143.576%0.76180%0.803SS**  cis-146.4-176.7-6.1-8.30000107.9
583G35.2Very low35.2Very low67 Ų67141.6 Ų141.669%0.69180%0.802SS**  cis-173.4-134.511.100000113
584E32.2Very low35.3Very low192 Ų192137.5 Ų137.590%0.89779%0.793SS**  trans-135.4-162.4-167.9-57.4-162.9122.100112.3
585P36.5Very low35.6Very low94 Ų94141 Ų14161%0.6180%0.801SS**  cis-147.5175.8-0.843-21.7000121.5
586Q37.7Very low35.3Very low185 Ų185141.9 Ų141.986%0.86479%0.794SS**  trans86.4156.6144.2-85.4164.164.700123.5
587T31.8Very low35.2Very low130 Ų130139.6 Ų139.680%0.79879%0.79SS**  trans-143.7162.8-166.8-24.30000109.9
588P35.8Very low35.1Very low111 Ų111140.3 Ų140.372%0.72179%0.789SS**  -158.8146.4104.737.6-17.6000119.5
589K36.9Very low34.7Very low209 Ų209137 Ų13791%0.90979%0.791SS**  trans47127.2134.3-56.9173.6-178.4175.10122.2
590G32.3Very low34.6Very low82 Ų82140.2 Ų140.285%0.84580%0.797SS**  trans-168.6127.6157.100000113.3
591A30.8Very low34.2Very low98 Ų98142.5 Ų142.581%0.8180%0.802SS**  trans-86161.8-178.900000112.3
592T35.7Very low33.7Very low142 Ų142140.3 Ų140.387%0.87180%0.802SS**  -171.9159.683.2-63.10000111.5
593N34.1Very low33.6Very low156 Ų156143.7 Ų143.783%0.83481%0.81SS**  trans-90.2174.1-173.6-117.73.8000114.6
594P39Very low33.3Very low111 Ų111145.3 Ų145.372%0.72182%0.816SS**  trans-110.4172.3-154.442.2-38.7000117.6
595Q37Very low33.3Very low192 Ų192142.2 Ų142.290%0.89781%0.813SS**  trans-149.1157.3167.2-74.7-1720.300108.3
596K31.3Very low33.3Very low153 Ų153147.1 Ų147.167%0.66582%0.824SS**  cis-156.5159.8-18.2170.2178.8170.3-89.80106.8E598K596-E598 IonicContact NZ-OE1 3.16Å; K596-E598 PolarHBondContact NZ-OE1 2.94Å
597L30.8Very low33.1Very low147 Ų147146.5 Ų146.577%0.7782%0.822SS**  trans-41.4138.8166.5-63.3146.7000114
598E32.4Very low33.1Very low172 Ų172146.4 Ų146.480%0.80482%0.82SS**  -165.7169.9111.8-99.8142.7-133.800110K596K596-E598 IonicContact NZ-OE1 3.16Å; K596-E598 PolarHBondContact NZ-OE1 2.94Å
599A28.4Very low32.9Very low102 Ų102145.6 Ų145.684%0.84382%0.824SS**  trans-138.4138-163.900000112.9
600E32.3Very low32.9Very low198 Ų198145.4 Ų145.493%0.92582%0.822SS**  trans-148.4156.1163.9-138.7174.317200111
601I32.8Very low33Very low158 Ų158147.6 Ų147.681%0.8182%0.822SS**  trans-107.3139.6-168-68.6176.5000109.3
602P30.4Very low33.2Very low123 Ų123151.9 Ų151.980%0.79983%0.825SS**  trans-79.4147-16030.4-37.2000115
603Q33.1Very low32.9Very low196 Ų196151.5 Ų151.592%0.91682%0.823SS**  trans-97.8141161.3-64.6-174.75.300110.5
604A27.7Very low32.9Very low101 Ų101149.6 Ų149.684%0.83582%0.819SS**  trans-111.2125.5176.500000111.2
605P32.9Very low32.8Very low127 Ų127154 Ų15483%0.82583%0.827SS**  trans-91.9163.9174.435.1-33000113.3
606K36.3Very low32.3Very low196 Ų196151 Ų15185%0.85282%0.822SS**  trans-68.4154.4178.8-52.4147.5-174.8172.80111.1
607E32.8Very low32.6Very low173 Ų173152 Ų15281%0.80883%0.829SS**  170.1140.6105.8-87.6-153.495.800115.9
608V32.4Very low32.6Very low127 Ų127153.4 Ų153.477%0.7783%0.831SS**  trans30.9114.5134.3-170.60000120.8
609A32.8Very low32.7Very low95 Ų95152.3 Ų152.379%0.78583%0.83SS**  -163.8138.6129.700000111.8
610K36.6Very low33.1Very low204 Ų204157 Ų15789%0.88783%0.832SS**  trans-109.7127.7166.8-74.9-177.9178.9177.40110
611P33.5Very low33.1Very low129 Ų129155.9 Ų155.984%0.83883%0.829SS**PPolyproline II helixtrans-73.1155.8159-14.530.9000111.3
612Q36.3Very low33.4Very low187 Ų187153.9 Ų153.987%0.87483%0.826SS**PPolyproline II helixtrans-99.2155.4-179.3-65.9174.4-1200112.1
613T27.5Very low33.9Very low134 Ų134157.8 Ų157.882%0.82283%0.83SS**PPolyproline II helixtrans-79.6126.5172.4-29.20000110.9
614P35.7Very low33.9Very low116 Ų116156.4 Ų156.475%0.75382%0.824SS**PPolyproline II helixtrans-72.9155.7165.731.3-33.2000110.9
615K35.7Very low34.3Very low205 Ų205159.1 Ų159.189%0.89182%0.823SS**PPolyproline II helixtrans-98.3160.6176.3-76.4-175.7177.1179.90112.1
616T27.6Very low34.4Very low128 Ų128158.1 Ų158.179%0.78581%0.814SS**  trans-39.7143.3174-42.10000115.8E618T616-E618 HydrophobicContact CG2-CG 4.33Å
617E36.6Very low34.5Very low174 Ų174155.9 Ų155.981%0.81381%0.81SS**  trans-132.8132152.6-170.5165.7-133.200108.6
618E30.7Very low34.6Very low176 Ų176152.7 Ų152.782%0.82280%0.804SS**  trans-95119.2-176.4-68.4-176.9106.800111.6T616T616-E618 HydrophobicContact CG2-CG 4.33Å
619L34.8Very low34.6Very low150 Ų150155.9 Ų155.979%0.78581%0.81SS**  trans-131.974.7174.4-72.5177.6000113.9
620K36.7Very low34.6Very low201 Ų201157.9 Ų157.987%0.87481%0.813SS**  45102.2127.9-151.6165.5-168.1166.50118.3
621M32.3Very low34.6Very low174 Ų174154 Ų15486%0.85781%0.812SS**PPolyproline II helixtrans-54.6142.1172-68.5-88.7-75.400114.1
622P39.3Very low34.4Very low116 Ų116151.5 Ų151.575%0.75381%0.81SS**PPolyproline II helixtrans-75.9161.8161.233.4-33.3000111.6
623K39.9Very low34.3Very low204 Ų204152.5 Ų152.589%0.88781%0.811SS**PPolyproline II helixtrans-78.3132.7-165.1-64.2174179.7177.10114.5
624E33.7Very low34.4Very low167 Ų167153.2 Ų153.278%0.7882%0.815SS**  trans-14.1128.9138.9-175.5177.1-152.700115.8V626E624-V626 HydrophobicContact CG-CG2 3.91Å
625I36.7Very low34.4Very low159 Ų159152.5 Ų152.582%0.81582%0.819SS**  trans-97.9108.6163.7-65.3176.8000107.2
626V33.9Very low34.5Very low105 Ų105151.2 Ų151.264%0.63682%0.816SS**PPolyproline II helixtrans-79.2123.3179178.80000110.1E624E624-V626 HydrophobicContact CG-CG2 3.91Å
627I39Very low34.7Very low149 Ų149151.8 Ų151.876%0.76481%0.814SS**PPolyproline II helixtrans-100.2127.3159.9-59.2178.1000106.5E629I627-E629 PolarHBondContact O-N 3.33Å
628P34.4Very low34.6Very low106 Ų106151.2 Ų151.269%0.68881%0.811SS**PPolyproline II helixtrans-78.4117.4-171.229.5-34.3000112.6
629E33.5Very low34.5Very low194 Ų194149 Ų14991%0.90781%0.809SS**PPolyproline II helixtrans-73.6121.9161-68.6-165.8144.800110I627 S631I627-E629 PolarHBondContact O-N 3.33Å; E629-S631 PolarHBondContact O-N 3.16Å
630T32.7Very low34.9Very low138 Ų138147.6 Ų147.685%0.84781%0.809SS**  trans-80.7112.8173.650.30000110.4
631S36.2Very low34.9Very low122 Ų122144.5 Ų144.585%0.85381%0.807SS**  trans-63.1137.3179.453.90000112.4E629E629-S631 PolarHBondContact O-N 3.16Å
632G29.9Very low34.9Very low77 Ų77144.5 Ų144.579%0.79481%0.805SS**  trans-76.2174.9-165.900000115.9
633K34Very low34.9Very low208 Ų208145.2 Ų145.290%0.90481%0.807SS**  trans-144.4130.3163.8-140.2174.9-171.8179.20110.5
634T30Very low34.7Very low149 Ų149141.6 Ų141.691%0.91480%0.804SS**  trans-75.7127.6175.713.60000111
635A35.2Very low35.2Very low100 Ų100141.2 Ų141.283%0.82681%0.806SS**  trans-153.4145.8160.100000108.6
636E36.4Very low35.1Very low178 Ų178139.8 Ų139.883%0.83281%0.805SS**  trans-88.8172.6-169.4-54.9180129.900114.3
637L31.9Very low35.2Very low140 Ų140140.8 Ų140.873%0.73381%0.813SS**  trans90.6145.3146.6-76.9161.4000121.9
638H34.7Very low35.1Very low163 Ų163138 Ų13876%0.75581%0.813SS**  trans65.1105.4165.4-74.2-66.6000121.4
639T30.1Very low35.1Very low128 Ų128138 Ų13879%0.78582%0.816SS**  trans-69.7145.1148.544.10000112
640P42.4Very low35.3Very low122 Ų122137.7 Ų137.779%0.79281%0.814SS**  trans-104.7167.515235.8-28.9000111.9
641V37.4Very low35.2Very low135 Ų135137.5 Ų137.582%0.81881%0.812SS**  trans-101.8160.8-175.2170.10000111.8
642E32.1Very low35.3Very low175 Ų175139.4 Ų139.482%0.81881%0.812SS**  trans-37.6139.7177.2-52.3174.6146.600116.9
643T38.1Very low35.8Very low131 Ų131143 Ų14380%0.80481%0.809SS**  -171.6138.912413.50000111.3
644P36.8Very low35.7Very low127 Ų127141 Ų14183%0.82580%0.802SS**  trans-88.7146.3170.434.7-32.2000111.5
645I43.9Very low36.2Very low160 Ų160139.8 Ų139.882%0.82180%0.8SS**  trans-124.3127176.4-58.2178000109.4
646T34.8Very low36.1Very low128 Ų128141 Ų14179%0.78580%0.798SS**  trans-75.9135.8174.7-47.60000110.3
647P36.2Very low36.4Very low126 Ų126137.5 Ų137.582%0.81880%0.798SS**  trans-75142.5-175.629.8-35.5000113.1
648A35.3Very low36.5Very low91 Ų91137.8 Ų137.875%0.75280%0.796SS**  trans-121.2144.316600000109.6
649S35.6Very low36.8Very low107 Ų107137.2 Ų137.275%0.74880%0.804SS**  trans-101.7122.6-16453.60000113.6
650H37.8Very low37.2Very low186 Ų186138.7 Ų138.786%0.86180%0.8SS**  trans-135.2120165.8-59.7-64.5000110.4
651T29.9Very low37.3Very low134 Ų134139.1 Ų139.182%0.82281%0.805SS**  trans-105.6133.7175.3-44.90000108.5
652L39Very low37.3Very low163 Ų163137.7 Ų137.785%0.85381%0.808SS**  trans-154.1140.5165.3-114.3172.6000112.4
653E39.8Very low37.6Very low153 Ų153132.9 Ų132.972%0.71581%0.805SS**  trans-47.4132.5176.7-55.6-54.9149.600113.3
654E32.4Very low37.7Very low165 Ų165136.6 Ų136.677%0.77181%0.81SS**  88.5118.888-166.8-171.4-15400113.6
655S40.1Very low37.8Very low124 Ų124135.8 Ų135.887%0.86781%0.805SS**  trans-162.1120.3158-176.90000110.1
656T32.3Very low37.4Very low126 Ų126133.3 Ų133.377%0.77380%0.797SS**  trans-87145.8-17650.20000112.8
657A42.7Very low37.4Very low103 Ų103133.5 Ų133.585%0.85180%0.8SS**  trans-152.5128.5157.400000110.6
658E35.2Very low37.3Very low147 Ų147136 Ų13669%0.68780%0.801SS**  trans-84.7151.2178.1-56-168111.400112.5K660E658-K660 WeakPolarHBondContact OE1-CE 3.35Å; E658-K660 IonicContact OE1-NZ 2.61Å; E658-K660 PolarHBondContact OE1-NZ 3.43Å; E658-K660 IonicContact OE2-NZ 2.85Å; E658-K660 PolarHBondContact OE2-NZ 3.24Å
659T41.4Very low37.4Very low150 Ų150136.7 Ų136.792%0.9280%0.801SS**  trans-148.8135.2134.7-31.20000110.9
660K38.4Very low37.5Very low160 Ų160139 Ų13970%0.69680%0.804SS**  trans-102143.5-174.3-60.7177.5175.293.10111.4E658E658-K660 WeakPolarHBondContact OE1-CE 3.35Å; E658-K660 IonicContact OE1-NZ 2.61Å; E658-K660 PolarHBondContact OE1-NZ 3.43Å; E658-K660 IonicContact OE2-NZ 2.85Å; E658-K660 PolarHBondContact OE2-NZ 3.24Å
661S43.4Very low37.2Very low130 Ų130134.4 Ų134.491%0.90979%0.793SS**  trans-144.8146.4159.3-168.90000109.8
662A37.3Very low37.7Very low105 Ų105137 Ų13787%0.86880%0.795SS**  trans-108.9143.8-160.400000114.3
663G38.3Very low37.8Very low74 Ų74137.8 Ų137.876%0.76380%0.795SS**  trans-139.55.9-167.900000119.2
664K41.4Very low37.8Very low209 Ų209137.1 Ų137.191%0.90980%0.795SS**  trans69.1162.3-179.6-64.8-175.5176.6-178.70117.2
665P38.8Very low38Very low110 Ų110138 Ų13871%0.71480%0.8SS**  trans-129.3158.2-158.642.1-26.2000117.7
666V34.4Very low38.1Very low109 Ų109140.1 Ų140.166%0.66180%0.8SS**  trans48.8125.7132.1-179.30000119.8Q668V666-Q668 HydrophobicContact CG1-CG 4.03Å
667P36.4Very low38.3Very low131 Ų131139 Ų13985%0.85180%0.804SS**  -118.7160.4101.9-726.9000115.1
668Q33.9Very low38.2Very low178 Ų178142.3 Ų142.383%0.83281%0.806SS**  trans-111.4136.7176.8-63.4157.4-88.300111.5V666V666-Q668 HydrophobicContact CG1-CG 4.03Å
669S37.7Very low38.3Very low107 Ų107138.5 Ų138.575%0.74881%0.806SS**  trans174.3131.6167.452.70000108.3
670L36.8Very low38.2Very low155 Ų155140.2 Ų140.281%0.81280%0.803SS**  cis-136.4148.2-4.3-58.9169.1000105.3
671S32.3Very low38.3Very low90 Ų90138.2 Ų138.263%0.62981%0.81SS**  cis71.7107.837.376.50000115.9
672E39.3Very low37.9Very low187 Ų187141.9 Ų141.987%0.87481%0.809SS**  trans68.6100.6148.2-60.8172173.500120.3
673E42.4Very low37.9Very low180 Ų180142.3 Ų142.384%0.84181%0.806SS**  trans-177.4136134.5-87.6-153.3120.500107.1
674L37.8Very low38.1Very low139 Ų139144.4 Ų144.473%0.72881%0.806SS**  cis-150.2132.2-11.9-100.1169.2000108.3
675E38.7Very low37.8Very low184 Ų184143.4 Ų143.486%0.8680%0.804SS**  trans-83.1136.2149.7-70.2-167.9137.800108.3
676L42.1Very low38.1Very low169 Ų169143.6 Ų143.689%0.88581%0.806SS**  trans170.493.9147.3-97.9159.9000111.8
677A36.3Very low38.4Very low103 Ų103144.6 Ų144.685%0.85181%0.814SS**  trans-158.837.7164.700000113.4G679A677-G679 PolarHBondContact O-N 3.4Å; A677-G679 VanDerWaalsContact O-N 3.11Å
678I39.9Very low38.3Very low172 Ų172145.2 Ų145.288%0.88282%0.816SS**  trans-74102.5169.4-61.4178.2000108.1
679G37.2Very low38.5Very low67 Ų67142.7 Ų142.769%0.69182%0.818SS**  trans-110112.4171.500000110.5A677A677-G679 PolarHBondContact O-N 3.4Å; A677-G679 VanDerWaalsContact O-N 3.11Å
680E38.7Very low38.3Very low185 Ų185142.4 Ų142.486%0.86482%0.816SS**  trans-67.2131.8179.8-61.9-179.198.300112.4
681S40.2Very low38.4Very low119 Ų119140.7 Ų140.783%0.83282%0.817SS**  trans-146.1123.7149.250.30000110.6
682K37Very low38.5Very low206 Ų206142.9 Ų142.990%0.89682%0.822SS**  trans-69.8145.3-173.2-76.5170.4173.5166.90112.5
683S36.8Very low38.6Very low115 Ų115140.9 Ų140.980%0.80482%0.817SS**  trans-128132.8148.2-1710000108.9
684P42.3Very low38.6Very low118 Ų118140.2 Ų140.277%0.76681%0.811SS**PPolyproline II helixtrans-88.8136.7-171.633.3-33.8000113.5
685Q35.3Very low38.7Very low187 Ų187140.8 Ų140.887%0.87481%0.814SS**PPolyproline II helixtrans-88.4145.7160.1-78.2-170.2-39.200111.1
686P45.1Very low38.8Very low115 Ų115141.5 Ų141.575%0.74781%0.809SS**PPolyproline II helixtrans-75151.9167.432.7-34.2000111.4
687P39.6Very low38.6Very low129 Ų129139.6 Ų139.684%0.83880%0.799SS**PPolyproline II helixtrans-81.4141.8-174.332.2-35.3000113.3
688T34.6Very low38.7Very low145 Ų145138 Ų13889%0.8979%0.793SS**PPolyproline II helixtrans-92.2134.1164.445.20000110.7
689S38.8Very low38.8Very low125 Ų125138.6 Ų138.687%0.87479%0.794SS**PPolyproline II helixtrans-95.5134.1172.947.10000110.9
690S33.8Very low39Very low101 Ų101141 Ų14171%0.70680%0.801SS**PPolyproline II helixtrans-96.6144.8-179.1174.10000111.8
691S39.2Very low39.1Very low118 Ų118140.9 Ų140.983%0.82580%0.8SS**  trans-144.3126.6151.359.50000110.4
692N34.1Very low39.1Very low136 Ų136142 Ų14273%0.72780%0.797SS**  trans-87148.7-175.4-59.8-69.6000112
693N40.2Very low39.3Very low145 Ų145138.6 Ų138.678%0.77579%0.788SS**  161.4153.2126.6-86-41.5000109.3
694K42.2Very low39.5Very low167 Ų167141.1 Ų141.173%0.72679%0.787SS**  cis166.6144.7-17.9-146.8-176.5-173.1175.40102.3
695I40.5Very low39.2Very low151 Ų151140.7 Ų140.777%0.77479%0.786SS**  trans69.8141.1163.2-63.7161.3000114.7
696R40.2Very low39.7Very low199 Ų199137.8 Ų137.875%0.75178%0.784SS**  cis-172.4155.7-16.5176.4168.5178.4179.1-2.4109.4
697D39.6Very low39.3Very low128 Ų128137.2 Ų137.268%0.68479%0.789SS**  trans16.3132.3162.4-44.1-13000120.1
698G37.2Very low39.2Very low71 Ų71137.6 Ų137.673%0.73279%0.788SS**  trans175.860.8165.700000122.5
699M41.7Very low39.5Very low183 Ų183140 Ų14090%0.90179%0.789SS**  trans65.6135.1142.1-54-172.5-178.400123.6
700S43Very low39.4Very low119 Ų119139.2 Ų139.283%0.83278%0.784SS**  trans69.8128.514447.20000122
701E39.2Very low39.7Very low182 Ų182140 Ų14085%0.8579%0.786SS**  trans-71.1153.1163.4-53.5165.1156.400110.8
702D40.6Very low40Very low142 Ų142140.1 Ų140.176%0.75978%0.784SS**  -172.5124126.4-107.7-17.2000114
703L42Very low40Very low135 Ų135140.2 Ų140.271%0.70779%0.79SS**  trans57.5152135.6-60.5168.5000124.6
704H40.3Very low40Very low168 Ų168139 Ų13978%0.77879%0.793SS**  trans75.386.2156.2-65.8-54.1000122.1
705S35.9Very low39.4Very low108 Ų108140.1 Ų140.176%0.75580%0.801SS**  trans-63.7173.5135.1-45.50000112
706P46.2Very low39.4Very low127 Ų127137.9 Ų137.983%0.82581%0.805SS**  cis-131.6173.2-44.336.1-20.8000112.3
707A36.5Very low39.1Very low103 Ų103135.3 Ų135.385%0.85181%0.806SS**  trans-145.8145.9167.700000113.1
708V37.7Very low39Very low136 Ų136134.5 Ų134.582%0.82481%0.81SS**  trans-98.7134-178.81740000110.6
709Q41Very low38.9Very low196 Ų196139.6 Ų139.692%0.91681%0.813SS**  trans-156.4125.1152-116.6165.330.800112.7
710S37.4Very low38.8Very low109 Ų109135.7 Ų135.776%0.76280%0.799SS**PPolyproline II helixtrans-93.2165.2173.6-56.50000110.5
711P39.4Very low38.6Very low116 Ų116136 Ų13675%0.75379%0.791SS**PPolyproline II helixtrans-94.8168.9-153.637.6-38.2000115.2
712P45.6Very low38.5Very low121 Ų121132.1 Ų132.179%0.78678%0.776SS**PPolyproline II helixtrans-93.1131.8158.934.8-28.4000111.9
713T33.2Very low38.6Very low138 Ų138132.8 Ų132.885%0.84777%0.773SS**PPolyproline II helixtrans-80.7146.616046.30000110.4
714S39.8Very low38.4Very low120 Ų120133.7 Ų133.784%0.83978%0.775SS**  trans-154.7125.3168.1-67.80000111
715E31.2Very low38.4Very low190 Ų190129.9 Ų129.989%0.88877%0.767SS**  trans-86147.3171.7-57176.9130.600110.5
716A38.9Very low38.6Very low104 Ų104134.2 Ų134.286%0.8677%0.767SS**  trans-150.4125.6162.400000110.4
717N33.9Very low38.3Very low145 Ų145134.8 Ų134.878%0.77576%0.763SS**  trans-94.8174177.8-84.1-73.1000111.7
718S38.3Very low38.5Very low111 Ų111134 Ų13478%0.77675%0.75SS**  trans78157.416888.60000115.6
719F34.3Very low38.5Very low179 Ų179134.1 Ų134.179%0.78575%0.747SS**  cis-156.6137.61.1-151.7-140.7000112
720V39.8Very low38.5Very low100 Ų100129 Ų12961%0.60674%0.737SS**  trans69.9147.2133.1137.70000123.4
721D39.5Very low38.7Very low125 Ų125132.1 Ų132.167%0.66874%0.74SS**  trans70.9146.5155.6-92.625.1000121.6
722N38Very low38.7Very low101 Ų101131.3 Ų131.354%0.5473%0.733SS.*  cis-164.5169.5-18-144.8-32.7000110.9
723K41.9Very low38.4Very low157 Ų157131.9 Ų131.968%0.68373%0.729SS**  trans65.9145.6148.7-80.9156.2-166.81640118.9
724M37.7Very low38.8Very low153 Ų153133.3 Ų133.375%0.75472%0.723SS**  cis-167.2166.1-15.3-141174.2-170.600110.5
725S41.1Very low38.8Very low89 Ų89133.3 Ų133.362%0.62271%0.714SS**  trans76.9145.9148.4-67.40000119.6
726R39.2Very low39.1Very low199 Ų199129.9 Ų129.975%0.75170%0.702SS**  cis-172.6151.7-12.4-116.7175.9-173.9-143.9-1.2111.3
727L39.4Very low39.2Very low139 Ų139132.5 Ų132.573%0.72870%0.7SS**  trans65.7155150.4-59.9166000116.8
728S40.5Very low39.4Very low85 Ų85131.6 Ų131.659%0.59470%0.7SS**  cis-161.2129.7-10-103.90000107.6
729D39.1Very low39.5Very low140 Ų140132 Ų13275%0.74970%0.7SS**  89.815683.1-70.5-56.4000115.3
730A39.9Very low39.7Very low87 Ų87134.5 Ų134.572%0.71971%0.705SS**  trans72152.7166.300000118.5
731Q42.6Very low39.8Very low175 Ų175135.8 Ų135.882%0.81872%0.715SS**  cis-168.2150.6-19.4-106.3-165.1119.100107.8
732T39.1Very low39.7Very low99 Ų99134.8 Ų134.861%0.60772%0.718SS**  cis-173154.6-2211.90000111.3
733L39Very low39.7Very low133 Ų133136.3 Ų136.370%0.69673%0.731SS**  trans72.2141.1143.6-71168.3000123.4
734K42.5Very low39.7Very low168 Ų168137.5 Ų137.573%0.7374%0.739SS**  trans74149.5137.9-77.3169.6-178.8177.70120.4
735N38.2Very low40Very low121 Ų121138.3 Ų138.365%0.64775%0.745SS**  cis-171.5172.1-28.1-125.239.5000110.7
736D39Very low40.4Very low118 Ų118139 Ų13963%0.63175%0.748SS**  trans65.1113.1144.6-62.7-30.8000123.4
737L40.8Very low40.9Very low158 Ų158137.9 Ų137.983%0.82775%0.751SS**  80.1131.8124.2-60.5172.2000123
738T37.5Very low41Very low126 Ų126137.5 Ų137.577%0.77376%0.755SS**  trans-61.3170.9163.652.50000114.2
739P40.3Very low41.6Very low120 Ų120136.7 Ų136.778%0.77976%0.76SS**  cis-140.3-167.219.140.6-19.3000116.6
740R39.4Very low42.2Very low231 Ų231139.4 Ų139.487%0.87277%0.768SS**  trans-63.5156.9170-69.9-179171.8-179-3.7112.9
741P41.1Very low42.7Very low127 Ų127143.8 Ų143.883%0.82581%0.805SS**  -134-161.9106.739.6-30.1000114.3
742S37.3Very low42.7Very low104 Ų104142.3 Ų142.373%0.72780%0.804SS**  trans-114.3-177.7-160.8-50.80000115.1
743T38.6Very low42.9Very low133 Ų133144.5 Ų144.582%0.81681%0.814SS**  trans83.3130162.7-11.20000112.9
744E41.3Very low43.1Very low183 Ų183145.2 Ų145.286%0.85582%0.821SS**  -153.8168.154.3-79.1170.2169.700114.5
745L43.4Very low43.1Very low169 Ų169143.8 Ų143.889%0.88583%0.826SS**  trans-114.7158.8166.8-81.9168.9000108.9
746P50.2Low43.4Very low105 Ų105145.3 Ų145.368%0.68284%0.837SS**  -145.7150.3121.237.2-22.3000115.9
747E49.1Very low43.7Very low174 Ų174147.1 Ų147.181%0.81385%0.851SS**  53.3156.6127.5-58.6-171.8131.500122.4
748T42.6Very low43.9Very low131 Ų131146.3 Ų146.380%0.80485%0.853SS**  cis-163.7174.6-13.825.10000109.5
749G53.1Low44.4Very low68 Ų68147.8 Ų147.870%0.70186%0.859SS**  trans112.789.9165.800000113.8
750E50.4Low44.8Very low197 Ų197150.2 Ų150.292%0.92187%0.866SS**  83.599.964.6-70.7-160.1152.900115.5
751A50.8Low45.3Very low180 Ų180142.8 Ų142.8100%1.48887%0.865SS**  trans-165.20137.600000109.5

Retrieved 751 of 751 residues in 187 ms (Link to these results)